smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1CC	ZINC000160321875	206289129	/nfs/dbraw/zinc/28/91/29/206289129.db2.gz	ZXGLNWCEYIOFRM-QWHCGFSZSA-N	1	0	347.463	1.273	10	70		EDIERO
CC(C)CCS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000161378942	206345442	/nfs/dbraw/zinc/34/54/42/206345442.db2.gz	AVLNGVJIXQPPPU-KRWDZBQOSA-N	1	0	340.489	1.714	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)CC2	ZINC000159453039	441814847	/nfs/dbraw/zinc/81/48/47/441814847.db2.gz	GFUGNYOKNUZBJT-KGLIPLIRSA-N	1	0	334.468	1.357	10	70		EDIERO
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1	ZINC000160339406	529180832	/nfs/dbraw/zinc/18/08/32/529180832.db2.gz	BBSXPYNNAJSNQR-JSGCOSHPSA-N	1	0	339.461	1.327	10	70		EDIERO
CNC(=O)[C@H]1CCCN1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000159394403	540009149	/nfs/dbraw/zinc/00/91/49/540009149.db2.gz	CVUVPCPFUGBHJE-DOTOQJQBSA-N	1	0	346.475	1.817	10	70		EDIERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)C1	ZINC000160470714	206299132	/nfs/dbraw/zinc/29/91/32/206299132.db2.gz	RGFQFBVXJNNWQH-HNNXBMFYSA-N	1	0	340.445	1.086	10	70		EDIERO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)CC2	ZINC000160884377	441932745	/nfs/dbraw/zinc/93/27/45/441932745.db2.gz	JEAPSZLFQWHLFU-QWHCGFSZSA-N	1	0	337.445	1.001	10	70		EDIERO
CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000159428082	205443775	/nfs/dbraw/zinc/44/37/75/205443775.db2.gz	WXGBQCMZTLMQAG-INIZCTEOSA-N	1	0	336.480	1.704	10	70		EDIERO
CCN1CCN(C(=O)CC2CC[NH+](C[C@](C)(O)CC)CC2)CC1	ZINC000161032558	535613598	/nfs/dbraw/zinc/61/35/98/535613598.db2.gz	MQBAXDGXMIICKH-GOSISDBHSA-N	1	0	325.497	1.414	10	70		EDIERO
Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1	ZINC000159870695	206268269	/nfs/dbraw/zinc/26/82/69/206268269.db2.gz	UJZAEWZYRQZADU-MRXNPFEDSA-N	1	0	326.400	1.748	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CC2	ZINC000161471833	278077814	/nfs/dbraw/zinc/07/78/14/278077814.db2.gz	IFKPRROINCKROO-HUUCEWRRSA-N	1	0	346.479	1.596	10	70		EDIERO
CCc1ncsc1C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1	ZINC000161339685	441987545	/nfs/dbraw/zinc/98/75/45/441987545.db2.gz	RIEOPXYNDADWHD-NSHDSACASA-N	1	0	346.460	1.936	10	70		EDIERO
C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160755683	206311263	/nfs/dbraw/zinc/31/12/63/206311263.db2.gz	WRWDVWYLPLRPSG-DRZSPHRISA-N	1	0	342.436	1.924	10	70		EDIERO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)CCN3C)[C@@H](C)C1	ZINC000161296812	441981529	/nfs/dbraw/zinc/98/15/29/441981529.db2.gz	UHOZVKAOFLSBEC-BBRMVZONSA-N	1	0	344.459	1.924	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CO[C@@H]1CCOC1	ZINC000160024936	206275842	/nfs/dbraw/zinc/27/58/42/206275842.db2.gz	IGXHUJQXBONPNK-ARFHVFGLSA-N	1	0	327.469	1.600	10	70		EDIERO
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)OC(C)C	ZINC000160056843	441855891	/nfs/dbraw/zinc/85/58/91/441855891.db2.gz	ZDCDAFCVPXPXEY-HUUCEWRRSA-N	1	0	325.453	1.986	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCS(C)(=O)=O	ZINC000160505712	441889394	/nfs/dbraw/zinc/88/93/94/441889394.db2.gz	FIGWTIMVKHHTDS-ZIAGYGMSSA-N	1	0	333.498	1.229	10	70		EDIERO
CCCCOCCNC(=O)CN1CCC[C@H](c2nncn2CC)C1	ZINC000161352531	441990419	/nfs/dbraw/zinc/99/04/19/441990419.db2.gz	TZCJVWPLVIRAGP-HNNXBMFYSA-N	1	0	337.468	1.410	10	70		EDIERO
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCN(CC(F)F)CC1	ZINC000160472676	441886666	/nfs/dbraw/zinc/88/66/66/441886666.db2.gz	PLVIFZJTHBHHBL-CQSZACIVSA-N	1	0	334.455	1.945	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000160510536	441891590	/nfs/dbraw/zinc/89/15/90/441891590.db2.gz	MYCVBIGDECGQKV-QGZVFWFLSA-N	1	0	342.447	1.441	10	70		EDIERO
NC(=O)NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161068653	441952828	/nfs/dbraw/zinc/95/28/28/441952828.db2.gz	VTRFKWAXUUIXDX-NWDGAFQWSA-N	1	0	345.321	1.398	10	70		EDIERO
CNC(=O)[C@H]1CCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1	ZINC000159490975	529923627	/nfs/dbraw/zinc/92/36/27/529923627.db2.gz	SSKVOZXMWNRZOT-OAHLLOKOSA-N	1	0	336.411	1.178	10	70		EDIERO
Cc1ccc(-c2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH]n2)cc1	ZINC000159949673	441849095	/nfs/dbraw/zinc/84/90/95/441849095.db2.gz	GJFRORZTEQFJBT-INIZCTEOSA-N	1	0	342.443	1.962	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2[nH]c1=O	ZINC000160486184	527975885	/nfs/dbraw/zinc/97/58/85/527975885.db2.gz	KDWBKQXTRGNTJS-CQSZACIVSA-N	1	0	330.432	1.566	10	70		EDIERO
CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])NC(C)=O	ZINC000160212091	441866427	/nfs/dbraw/zinc/86/64/27/441866427.db2.gz	YMHNZMSHXUNYAL-GDBMZVCRSA-N	1	0	333.432	1.602	10	70		EDIERO
CCNC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1	ZINC000160414305	540023154	/nfs/dbraw/zinc/02/31/54/540023154.db2.gz	JLDLVIPMXPUTCL-HUUCEWRRSA-N	1	0	339.484	1.210	10	70		EDIERO
C[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@H](C)c1ccc(Br)cc1	ZINC000160062746	532973904	/nfs/dbraw/zinc/97/39/04/532973904.db2.gz	VCINCGBPMOHYLH-JIMOISOXSA-N	1	0	327.222	1.861	10	70		EDIERO
CO[C@@]1(C[NH2+]CC(=O)Nc2ccccc2Br)CCOC1	ZINC000160300303	533035620	/nfs/dbraw/zinc/03/56/20/533035620.db2.gz	JPPDNOGAOAYSGP-CQSZACIVSA-N	1	0	343.221	1.783	10	70		EDIERO
CCC[C@@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)[NH+](C)C	ZINC000161095524	441956733	/nfs/dbraw/zinc/95/67/33/441956733.db2.gz	QCJMDUFCKSROOR-LSDHHAIUSA-N	1	0	339.505	1.968	10	70		EDIERO
CCc1noc([C@H](C)N2CCN(C(=O)C(CC)(CC)C[NH3+])CC2)n1	ZINC000161288549	441980421	/nfs/dbraw/zinc/98/04/21/441980421.db2.gz	BLOSETVSVFWFJJ-ZDUSSCGKSA-N	1	0	337.468	1.602	10	70		EDIERO
CN(C)C(=O)[C@@H]1C[NH2+]CCN1c1ncc(Cl)cc1Br	ZINC000159671578	225258728	/nfs/dbraw/zinc/25/87/28/225258728.db2.gz	RFNPAMJJXJOIJP-JTQLQIEISA-N	1	0	347.644	1.364	10	70		EDIERO
CC(C)CC(=O)N[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)C	ZINC000159921178	441847390	/nfs/dbraw/zinc/84/73/90/441847390.db2.gz	KFNHIUUIFAMJOS-RDJZCZTQSA-N	1	0	341.496	1.136	10	70		EDIERO
CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161212366	441973293	/nfs/dbraw/zinc/97/32/93/441973293.db2.gz	WLSPYFFHQCURNM-INIZCTEOSA-N	1	0	348.495	1.746	10	70		EDIERO
CC1(C)C[NH+]=C(NCCc2ccc(S(N)(=O)=O)cc2)SC1	ZINC000160228355	529129572	/nfs/dbraw/zinc/12/95/72/529129572.db2.gz	ACVYNFZYPYZZBA-UHFFFAOYSA-N	1	0	327.475	1.595	10	70		EDIERO
C[C@@H]1C[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1	ZINC000160077942	441857173	/nfs/dbraw/zinc/85/71/73/441857173.db2.gz	IOICRLRHCSIDOU-APWZRJJASA-N	1	0	335.467	1.910	10	70		EDIERO
C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CCO1	ZINC000160446886	441883238	/nfs/dbraw/zinc/88/32/38/441883238.db2.gz	UKPRTHWIEUQVGB-JTQLQIEISA-N	1	0	332.231	1.978	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccco1	ZINC000160458709	441886477	/nfs/dbraw/zinc/88/64/77/441886477.db2.gz	CRIGDKAFKGRYBC-CQSZACIVSA-N	1	0	336.436	1.315	10	70		EDIERO
C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)[C@H]1COc2ccccc21	ZINC000161104320	441957766	/nfs/dbraw/zinc/95/77/66/441957766.db2.gz	CFCPCUKQCSETKE-WMLDXEAASA-N	1	0	347.459	1.555	10	70		EDIERO
C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)[C@@H]1COc2ccccc21	ZINC000161104203	441958260	/nfs/dbraw/zinc/95/82/60/441958260.db2.gz	CFCPCUKQCSETKE-PBHICJAKSA-N	1	0	347.459	1.555	10	70		EDIERO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H](C)C1	ZINC000161337126	441987512	/nfs/dbraw/zinc/98/75/12/441987512.db2.gz	NFIGWVNDXPALTP-NHYWBVRUSA-N	1	0	348.838	1.774	10	70		EDIERO
[NH3+]C[C@H]1CCCN1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O	ZINC000160247585	225372061	/nfs/dbraw/zinc/37/20/61/225372061.db2.gz	KSDPDCSIICMCND-CYBMUJFWSA-N	1	0	345.424	1.298	10	70		EDIERO
[NH3+]C[C@H]1CCCN1C(=O)CCCNC(=O)c1ccc(F)cc1F	ZINC000160282343	225379842	/nfs/dbraw/zinc/37/98/42/225379842.db2.gz	QGYBZMCCABOREZ-GFCCVEGCSA-N	1	0	325.359	1.425	10	70		EDIERO
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160909353	441934710	/nfs/dbraw/zinc/93/47/10/441934710.db2.gz	WSFGOJHSCSIMMO-KSSFIOAISA-N	1	0	335.448	1.478	10	70		EDIERO
CCC(CC)(CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OC	ZINC000160226514	441866998	/nfs/dbraw/zinc/86/69/98/441866998.db2.gz	FENFSUZDVIWRFG-UONOGXRCSA-N	1	0	327.469	1.994	10	70		EDIERO
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCO1	ZINC000160673107	441908362	/nfs/dbraw/zinc/90/83/62/441908362.db2.gz	HZKMWBWSWXONEP-KSZLIROESA-N	1	0	347.459	1.879	10	70		EDIERO
Cn1cc(N2CCC[C@H]([NH+]3CCC(c4ccnn4C)CC3)C2=O)cn1	ZINC000160069299	225331587	/nfs/dbraw/zinc/33/15/87/225331587.db2.gz	BIRCQLRAGZECCJ-KRWDZBQOSA-N	1	0	342.447	1.529	10	70		EDIERO
Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c2c(=O)[nH]n(C)c2n1	ZINC000161241787	441975659	/nfs/dbraw/zinc/97/56/59/441975659.db2.gz	WZPXPOXKUONPTI-GXFFZTMASA-N	1	0	331.420	1.029	10	70		EDIERO
CC(C)NC(=O)[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(Cl)s1	ZINC000159421649	529146801	/nfs/dbraw/zinc/14/68/01/529146801.db2.gz	IXCVEVDTONIJIX-QWRGUYRKSA-N	1	0	331.869	1.627	10	70		EDIERO
O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160071814	225331095	/nfs/dbraw/zinc/33/10/95/225331095.db2.gz	ULYYZBXZCUKDKA-UHFFFAOYSA-N	1	0	331.420	1.454	10	70		EDIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000159556355	441821379	/nfs/dbraw/zinc/82/13/79/441821379.db2.gz	ROURXGSILCTJTR-HNNXBMFYSA-N	1	0	335.452	1.410	10	70		EDIERO
CCOCC[N@@H+]1CCN(C(=O)NCCc2cscn2)C[C@@H]1CC	ZINC000159582745	441823339	/nfs/dbraw/zinc/82/33/39/441823339.db2.gz	IHCPHIPBNNXHOY-HNNXBMFYSA-N	1	0	340.493	1.828	10	70		EDIERO
Cc1c2ccccc2[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160630532	441903405	/nfs/dbraw/zinc/90/34/05/441903405.db2.gz	TWFJUBFSMAHWFK-CQSZACIVSA-N	1	0	343.427	1.825	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(C(N)=O)cc1	ZINC000160467354	441886141	/nfs/dbraw/zinc/88/61/41/441886141.db2.gz	IPFWTFSVMBFNHF-MRXNPFEDSA-N	1	0	347.459	1.791	10	70		EDIERO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1	ZINC000159557230	441821459	/nfs/dbraw/zinc/82/14/59/441821459.db2.gz	XCTNKHRVOYNBJH-MRXNPFEDSA-N	1	0	349.479	1.420	10	70		EDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1	ZINC000161154434	441965343	/nfs/dbraw/zinc/96/53/43/441965343.db2.gz	ROMJCEUIKVELDD-DYVFJYSZSA-N	1	0	327.428	1.916	10	70		EDIERO
CC[C@H](O)C[NH+]1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000159716213	529702067	/nfs/dbraw/zinc/70/20/67/529702067.db2.gz	IGTORRZDRFQACI-YJBOKZPZSA-N	1	0	349.450	1.710	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc2ccccc2c1=O	ZINC000160538176	441893643	/nfs/dbraw/zinc/89/36/43/441893643.db2.gz	NPSPCIDIYIZXNJ-OAHLLOKOSA-N	1	0	342.443	1.633	10	70		EDIERO
CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@](C)(O)CC)CC2)n1	ZINC000161292917	441982590	/nfs/dbraw/zinc/98/25/90/441982590.db2.gz	XHUBDMVVLLYDMM-CJNGLKHVSA-N	1	0	326.441	1.446	10	70		EDIERO
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC1	ZINC000159826109	441841165	/nfs/dbraw/zinc/84/11/65/441841165.db2.gz	DNNAOFLOIVIZRE-QGZVFWFLSA-N	1	0	337.508	1.678	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCOCC1	ZINC000159825340	441842056	/nfs/dbraw/zinc/84/20/56/441842056.db2.gz	GRIKZEQOLIQGBB-DLBZAZTESA-N	1	0	340.512	1.374	10	70		EDIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccn(CC(F)(F)F)n1	ZINC000160576722	441897121	/nfs/dbraw/zinc/89/71/21/441897121.db2.gz	ATUJIDDOCPNEIZ-LLVKDONJSA-N	1	0	349.357	1.414	10	70		EDIERO
CCCN(CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C	ZINC000160891868	441932081	/nfs/dbraw/zinc/93/20/81/441932081.db2.gz	HRWSHQCXAKSKPP-CQSZACIVSA-N	1	0	342.484	1.979	10	70		EDIERO
C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161049022	441949938	/nfs/dbraw/zinc/94/99/38/441949938.db2.gz	QHMXFSXIXAHMIL-MRXNPFEDSA-N	1	0	342.447	1.366	10	70		EDIERO
CCC[C@H](C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1)[NH+](C)C	ZINC000161343079	441988497	/nfs/dbraw/zinc/98/84/97/441988497.db2.gz	ZTWKTFCLPJZDMY-CVEARBPZSA-N	1	0	337.464	1.808	10	70		EDIERO
CC[NH2+]C[C@@H]1COCCN1Cc1c(Br)c(C)nn1CC	ZINC000159913772	528336005	/nfs/dbraw/zinc/33/60/05/528336005.db2.gz	QZIKCNHRRBLRGD-GFCCVEGCSA-N	1	0	345.285	1.784	10	70		EDIERO
C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)c(O)c2)CCO1	ZINC000160448177	441882856	/nfs/dbraw/zinc/88/28/56/441882856.db2.gz	ALNWPWDILMLIQE-NSHDSACASA-N	1	0	343.221	1.557	10	70		EDIERO
CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161212245	441971962	/nfs/dbraw/zinc/97/19/62/441971962.db2.gz	WLSPYFFHQCURNM-MRXNPFEDSA-N	1	0	348.495	1.746	10	70		EDIERO
Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3ncnn3C2)o1	ZINC000160923118	441936349	/nfs/dbraw/zinc/93/63/49/441936349.db2.gz	RQXAYQYVUNKQPG-AWEZNQCLSA-N	1	0	346.435	1.268	10	70		EDIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000161127209	441961012	/nfs/dbraw/zinc/96/10/12/441961012.db2.gz	VNGOSJRLYVKEQH-JONQDZQNSA-N	1	0	337.464	1.090	10	70		EDIERO
CCC[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+](C)C	ZINC000161442548	442000992	/nfs/dbraw/zinc/00/09/92/442000992.db2.gz	VWLWIYIEDDXDSD-LLVKDONJSA-N	1	0	331.338	1.889	10	70		EDIERO
CCC[C@H](C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159750045	527971137	/nfs/dbraw/zinc/97/11/37/527971137.db2.gz	QKVLXEXIGRANNU-MRXNPFEDSA-N	1	0	340.512	1.119	10	70		EDIERO
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000159899817	225298229	/nfs/dbraw/zinc/29/82/29/225298229.db2.gz	WLUQOJULPAVFFH-ZIAGYGMSSA-N	1	0	333.498	1.229	10	70		EDIERO
C[C@H](O)C[NH+]1CCC(CN(C)Cc2nsc(N(C)C)n2)CC1	ZINC000159935092	441847294	/nfs/dbraw/zinc/84/72/94/441847294.db2.gz	PFVDJTVJVJRLPK-LBPRGKRZSA-N	1	0	327.498	1.129	10	70		EDIERO
CCC[C@H](C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)[NH+](C)C	ZINC000161455463	442002214	/nfs/dbraw/zinc/00/22/14/442002214.db2.gz	IXHOUNRSSCLGGZ-QGZVFWFLSA-N	1	0	347.459	1.710	10	70		EDIERO
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1CC	ZINC000159772923	529697367	/nfs/dbraw/zinc/69/73/67/529697367.db2.gz	AYUGODDNZVEYJR-BLLLJJGKSA-N	1	0	349.479	1.423	10	70		EDIERO
CCOc1ccccc1[C@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(C)=O	ZINC000160212483	225362078	/nfs/dbraw/zinc/36/20/78/225362078.db2.gz	YMHNZMSHXUNYAL-HOCLYGCPSA-N	1	0	333.432	1.602	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1nncn1C	ZINC000160380439	441875590	/nfs/dbraw/zinc/87/55/90/441875590.db2.gz	CHXRVTKFCOJNHW-CHWSQXEVSA-N	1	0	325.482	1.532	10	70		EDIERO
CCN1CCN(C(=O)CC2CC[NH+](C[C@@](C)(O)CC)CC2)CC1	ZINC000161032432	441949047	/nfs/dbraw/zinc/94/90/47/441949047.db2.gz	MQBAXDGXMIICKH-SFHVURJKSA-N	1	0	325.497	1.414	10	70		EDIERO
C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)[C@H]1COc2ccccc21	ZINC000161104437	441957723	/nfs/dbraw/zinc/95/77/23/441957723.db2.gz	CFCPCUKQCSETKE-RHSMWYFYSA-N	1	0	347.459	1.555	10	70		EDIERO
Cn1ncc(N2CCC([NH2+]CC3CC3)CC2)c(Br)c1=O	ZINC000159890547	534832618	/nfs/dbraw/zinc/83/26/18/534832618.db2.gz	JVQYSIBLRXUOQQ-UHFFFAOYSA-N	1	0	341.253	1.511	10	70		EDIERO
CC(C)CCn1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1	ZINC000159639686	527884807	/nfs/dbraw/zinc/88/48/07/527884807.db2.gz	PVWIJBXIUVQCCS-HNNXBMFYSA-N	1	0	337.468	1.898	10	70		EDIERO
CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC	ZINC000159373519	529454060	/nfs/dbraw/zinc/45/40/60/529454060.db2.gz	OVIGUPNRHWGKQS-CWSCBRNRSA-N	1	0	331.869	1.627	10	70		EDIERO
CCNS(=O)(=O)[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1	ZINC000161382212	441992288	/nfs/dbraw/zinc/99/22/88/441992288.db2.gz	VCOKTMJUMCEZAI-INIZCTEOSA-N	1	0	343.468	1.271	10	70		EDIERO
COCCc1noc(CN(C)CC[N@H+](C)Cc2ccc(F)cc2)n1	ZINC000160161812	441862801	/nfs/dbraw/zinc/86/28/01/441862801.db2.gz	ZWSNWJWPKNFAFA-UHFFFAOYSA-N	1	0	336.411	1.961	10	70		EDIERO
CCc1nccn1[C@H]1CCC[N@H+](CCc2cn(CC(=O)OC)nn2)C1	ZINC000160003650	441854065	/nfs/dbraw/zinc/85/40/65/441854065.db2.gz	UVCINRHUMMBHLP-HNNXBMFYSA-N	1	0	346.435	1.090	10	70		EDIERO
[NH3+]C[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(F)cc1F	ZINC000160282477	225380364	/nfs/dbraw/zinc/38/03/64/225380364.db2.gz	QGYBZMCCABOREZ-LBPRGKRZSA-N	1	0	325.359	1.425	10	70		EDIERO
COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1	ZINC000159557117	441821405	/nfs/dbraw/zinc/82/14/05/441821405.db2.gz	XCTNKHRVOYNBJH-INIZCTEOSA-N	1	0	349.479	1.420	10	70		EDIERO
Cc1cc(C)n2nc(CC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)nc2n1	ZINC000160585894	441898717	/nfs/dbraw/zinc/89/87/17/441898717.db2.gz	PILIYOIRBPFPJK-OAHLLOKOSA-N	1	0	344.463	1.520	10	70		EDIERO
Cc1nn(C)c(CN2C(=O)CC[C@H]3C[NH2+]CC[C@H]32)c1Br	ZINC000160019530	225321217	/nfs/dbraw/zinc/32/12/17/225321217.db2.gz	AFLVCHGLFFMCFM-WDEREUQCSA-N	1	0	341.253	1.592	10	70		EDIERO
[NH3+]C[C@H]1CCCN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1	ZINC000160152123	225349671	/nfs/dbraw/zinc/34/96/71/225349671.db2.gz	RKEQXBFINZSVRF-GFCCVEGCSA-N	1	0	346.456	1.496	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1	ZINC000160575581	441897138	/nfs/dbraw/zinc/89/71/38/441897138.db2.gz	DMZDXHFOADLHEM-CQSZACIVSA-N	1	0	330.494	1.438	10	70		EDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1	ZINC000160697595	441910340	/nfs/dbraw/zinc/91/03/40/441910340.db2.gz	WCVXFYLLQLJTJI-AEFFLSMTSA-N	1	0	345.491	1.638	10	70		EDIERO
CC(C)CCn1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1	ZINC000159639823	527884987	/nfs/dbraw/zinc/88/49/87/527884987.db2.gz	PVWIJBXIUVQCCS-OAHLLOKOSA-N	1	0	337.468	1.898	10	70		EDIERO
CC[NH2+]C[C@H]1COCCN1Cc1c(Br)c(CC)nn1C	ZINC000159909069	528335378	/nfs/dbraw/zinc/33/53/78/528335378.db2.gz	SARSYRYKDMGMBC-NSHDSACASA-N	1	0	345.285	1.555	10	70		EDIERO
CCOc1ccc(C(=O)N[C@@H](C(=O)NCC(C)(C)[NH3+])C(C)C)cc1	ZINC000160105077	528403145	/nfs/dbraw/zinc/40/31/45/528403145.db2.gz	SIVGPBCSFPDBKW-OAHLLOKOSA-N	1	0	335.448	1.693	10	70		EDIERO
CCNC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1	ZINC000160414187	540023065	/nfs/dbraw/zinc/02/30/65/540023065.db2.gz	JLDLVIPMXPUTCL-LSDHHAIUSA-N	1	0	339.484	1.210	10	70		EDIERO
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1C[C@H](O)C[NH2+]1	ZINC000161176115	206332985	/nfs/dbraw/zinc/33/29/85/206332985.db2.gz	GAOXZCVYOOYYRP-KBPBESRZSA-N	1	0	342.361	1.966	10	70		EDIERO
CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161103034	441957997	/nfs/dbraw/zinc/95/79/97/441957997.db2.gz	VJOUGBCOYYWURB-SJLPKXTDSA-N	1	0	326.481	1.792	10	70		EDIERO
CN(C)c1ccc(Br)cc1NC(=O)COC1(C)C[NH2+]C1	ZINC000161111083	205225711	/nfs/dbraw/zinc/22/57/11/205225711.db2.gz	LMHLMBZGWSNGOO-UHFFFAOYSA-N	1	0	342.237	1.832	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([NH+]3CCCC3)C1)CC2	ZINC000161471619	276066812	/nfs/dbraw/zinc/06/68/12/276066812.db2.gz	IFKPRROINCKROO-CABCVRRESA-N	1	0	346.479	1.596	10	70		EDIERO
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](CC2CCCCC2)CC1	ZINC000161077884	441953453	/nfs/dbraw/zinc/95/34/53/441953453.db2.gz	DGVONSZHIJPOKO-MRXNPFEDSA-N	1	0	346.479	1.500	10	70		EDIERO
CC1(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[NH2+]C1	ZINC000161103259	205223420	/nfs/dbraw/zinc/22/34/20/205223420.db2.gz	AICTUVCIIYFFIJ-UHFFFAOYSA-N	1	0	332.809	1.061	10	70		EDIERO
CCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)NC)s1)[NH+](C)C	ZINC000159415919	206245105	/nfs/dbraw/zinc/24/51/05/206245105.db2.gz	HQRZMIOCQUAPRF-NSHDSACASA-N	1	0	333.479	1.003	10	70		EDIERO
NC(=O)NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161068934	206326903	/nfs/dbraw/zinc/32/69/03/206326903.db2.gz	VTRFKWAXUUIXDX-VXGBXAGGSA-N	1	0	345.321	1.398	10	70		EDIERO
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000161176352	206333059	/nfs/dbraw/zinc/33/30/59/206333059.db2.gz	GAOXZCVYOOYYRP-KGLIPLIRSA-N	1	0	342.361	1.966	10	70		EDIERO
CCOCC[N@@H+]1CCN(C(=O)NCCc2cscn2)C[C@H]1CC	ZINC000159582609	441822115	/nfs/dbraw/zinc/82/21/15/441822115.db2.gz	IHCPHIPBNNXHOY-OAHLLOKOSA-N	1	0	340.493	1.828	10	70		EDIERO
COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160579281	441898823	/nfs/dbraw/zinc/89/88/23/441898823.db2.gz	WCPDXEVUXKHXNH-XLIONFOSSA-N	1	0	346.471	1.981	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(N)=O	ZINC000160398446	206294983	/nfs/dbraw/zinc/29/49/83/206294983.db2.gz	PFARIEWUCQOFQS-SJORKVTESA-N	1	0	346.475	1.503	10	70		EDIERO
C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000161201664	277032226	/nfs/dbraw/zinc/03/22/26/277032226.db2.gz	FCUPGDDICPJPIK-TZMCWYRMSA-N	1	0	342.436	1.588	10	70		EDIERO
C[C@H]1C[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1N1CCOCC1	ZINC000160078077	441857462	/nfs/dbraw/zinc/85/74/62/441857462.db2.gz	IOICRLRHCSIDOU-LPHOPBHVSA-N	1	0	335.467	1.910	10	70		EDIERO
CC[C@@H]1CN(C(=O)NCC2(CCOC)CC2)CC[N@@H+]1CCOC	ZINC000161003280	441945811	/nfs/dbraw/zinc/94/58/11/441945811.db2.gz	RUKVTMPJJJUKRU-OAHLLOKOSA-N	1	0	327.469	1.555	10	70		EDIERO
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000159899979	225298944	/nfs/dbraw/zinc/29/89/44/225298944.db2.gz	WLUQOJULPAVFFH-UONOGXRCSA-N	1	0	333.498	1.229	10	70		EDIERO
Cc1nn(C)c(CN2CCOC[C@H]2C[NH2+]C(C)C)c1Br	ZINC000159969765	225311904	/nfs/dbraw/zinc/31/19/04/225311904.db2.gz	HJKWBDGTPWWSHB-GFCCVEGCSA-N	1	0	345.285	1.690	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)CC2	ZINC000159452909	441815670	/nfs/dbraw/zinc/81/56/70/441815670.db2.gz	GFUGNYOKNUZBJT-ZIAGYGMSSA-N	1	0	334.468	1.357	10	70		EDIERO
C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160356362	441873775	/nfs/dbraw/zinc/87/37/75/441873775.db2.gz	ZDGHGLFEDGGRHA-GOEBONIOSA-N	1	0	348.447	1.160	10	70		EDIERO
Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1ccccc1	ZINC000161013360	441946416	/nfs/dbraw/zinc/94/64/16/441946416.db2.gz	MWAYSVMRAJNGTK-OAHLLOKOSA-N	1	0	341.415	1.282	10	70		EDIERO
C[C@@H](NC(=O)[C@]1(C)COC[C@H]1[NH3+])c1ccc(Br)cc1	ZINC000160057000	533271723	/nfs/dbraw/zinc/27/17/23/533271723.db2.gz	XOZCNNLNBJKBQH-GAJTVXKRSA-N	1	0	327.222	1.990	10	70		EDIERO
COCc1nc2n(n1)CCC[C@H]2NC(=O)N(CC[NH+](C)C)C(C)C	ZINC000159697596	225261278	/nfs/dbraw/zinc/26/12/78/225261278.db2.gz	BQBDMGYZQBNNOV-CYBMUJFWSA-N	1	0	338.456	1.241	10	70		EDIERO
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161101453	441957948	/nfs/dbraw/zinc/95/79/48/441957948.db2.gz	XQYRAVMMGGVAFV-XHDPSFHLSA-N	1	0	345.447	1.027	10	70		EDIERO
C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160759361	534203641	/nfs/dbraw/zinc/20/36/41/534203641.db2.gz	HTQAPCFNRXKTCD-CMPLNLGQSA-N	1	0	328.409	1.549	10	70		EDIERO
CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1	ZINC000161368869	527997808	/nfs/dbraw/zinc/99/78/08/527997808.db2.gz	NHNOLSDZJNTNOD-HNNXBMFYSA-N	1	0	348.495	1.700	10	70		EDIERO
CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)C(C)C	ZINC000159921316	441848130	/nfs/dbraw/zinc/84/81/30/441848130.db2.gz	KFNHIUUIFAMJOS-DOTOQJQBSA-N	1	0	341.496	1.136	10	70		EDIERO
CCC[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)C)[NH+](C)C	ZINC000161365846	441991104	/nfs/dbraw/zinc/99/11/04/441991104.db2.gz	WCWNNIXVVZFOHT-AWEZNQCLSA-N	1	0	341.477	1.283	10	70		EDIERO
CCc1nn(C)c(C[NH2+]C[C@]2(OC)CCOC2)c1Br	ZINC000160298341	529766839	/nfs/dbraw/zinc/76/68/39/529766839.db2.gz	QUXCQKSSVXXIHC-CYBMUJFWSA-N	1	0	332.242	1.640	10	70		EDIERO
CCc1noc([C@@H](C)N2CCN(C(=O)C(CC)(CC)C[NH3+])CC2)n1	ZINC000161288412	225594387	/nfs/dbraw/zinc/59/43/87/225594387.db2.gz	BLOSETVSVFWFJJ-CYBMUJFWSA-N	1	0	337.468	1.602	10	70		EDIERO
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CCO1	ZINC000160672835	276765991	/nfs/dbraw/zinc/76/59/91/276765991.db2.gz	HZKMWBWSWXONEP-KURKYZTESA-N	1	0	347.459	1.879	10	70		EDIERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn(C)nc1C(F)(F)F	ZINC000160769917	441918977	/nfs/dbraw/zinc/91/89/77/441918977.db2.gz	YKBXGMVTHAAFJL-ZYHUDNBSSA-N	1	0	345.369	1.817	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000160427109	441881510	/nfs/dbraw/zinc/88/15/10/441881510.db2.gz	MLUMAYCSUCISAH-CQSZACIVSA-N	1	0	343.427	1.519	10	70		EDIERO
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161101561	441957418	/nfs/dbraw/zinc/95/74/18/441957418.db2.gz	XQYRAVMMGGVAFV-NHYWBVRUSA-N	1	0	345.447	1.027	10	70		EDIERO
CCC[C@@H](C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[NH+](C)C	ZINC000159749895	441834959	/nfs/dbraw/zinc/83/49/59/441834959.db2.gz	QKVLXEXIGRANNU-INIZCTEOSA-N	1	0	340.512	1.119	10	70		EDIERO
CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1	ZINC000161334836	441987988	/nfs/dbraw/zinc/98/79/88/441987988.db2.gz	ORXKCCBFIQWEKM-GFCCVEGCSA-N	1	0	344.444	1.747	10	70		EDIERO
CNC(=O)[C@H]1CCCN1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000159394552	540009158	/nfs/dbraw/zinc/00/91/58/540009158.db2.gz	CVUVPCPFUGBHJE-NVXWUHKLSA-N	1	0	346.475	1.817	10	70		EDIERO
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CC[NH+](C)C)C(C)C	ZINC000159697738	533284154	/nfs/dbraw/zinc/28/41/54/533284154.db2.gz	BQBDMGYZQBNNOV-ZDUSSCGKSA-N	1	0	338.456	1.241	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(=O)cnc2ccccc21	ZINC000160418745	441880842	/nfs/dbraw/zinc/88/08/42/441880842.db2.gz	PMOLBHPCCOIPDG-OAHLLOKOSA-N	1	0	342.443	1.633	10	70		EDIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccn(CC(F)(F)F)n1	ZINC000160576596	441898061	/nfs/dbraw/zinc/89/80/61/441898061.db2.gz	ATUJIDDOCPNEIZ-NSHDSACASA-N	1	0	349.357	1.414	10	70		EDIERO
CCC[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)C(=O)Nc1ccccc1	ZINC000159953137	528124668	/nfs/dbraw/zinc/12/46/68/528124668.db2.gz	NGNBJHLFWYWHIH-RDJZCZTQSA-N	1	0	347.459	1.709	10	70		EDIERO
CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161329178	276326210	/nfs/dbraw/zinc/32/62/10/276326210.db2.gz	PGPHLXBPYRGLQI-HNNXBMFYSA-N	1	0	336.484	1.602	10	70		EDIERO
Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c2c(=O)[nH]n(C)c2n1	ZINC000161241913	441975562	/nfs/dbraw/zinc/97/55/62/441975562.db2.gz	WZPXPOXKUONPTI-GWCFXTLKSA-N	1	0	331.420	1.029	10	70		EDIERO
COc1ccc(-c2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)cc1	ZINC000161265417	441978466	/nfs/dbraw/zinc/97/84/66/441978466.db2.gz	PJCMRTWCNPHHBL-AEFFLSMTSA-N	1	0	326.396	1.701	10	70		EDIERO
CO[C@H]1CCN(C(=O)c2cc(Br)cn2C)[C@H](C[NH3+])C1	ZINC000161125719	441961279	/nfs/dbraw/zinc/96/12/79/441961279.db2.gz	CTCWZHZENIWCMF-QWRGUYRKSA-N	1	0	330.226	1.366	10	70		EDIERO
[NH3+]C[C@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC1CC1	ZINC000159407121	225212024	/nfs/dbraw/zinc/21/20/24/225212024.db2.gz	YNLONLNGVLFVEU-GHMZBOCLSA-N	1	0	329.853	1.381	10	70		EDIERO
Cn1cc(N2CCC[C@H]([NH+]3CCC(c4cc[nH]n4)CC3)C2=O)cn1	ZINC000160073601	441857672	/nfs/dbraw/zinc/85/76/72/441857672.db2.gz	PEHYNWDAEFLUDC-INIZCTEOSA-N	1	0	328.420	1.518	10	70		EDIERO
CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)NC)s1)[NH+](C)C	ZINC000159416052	527981962	/nfs/dbraw/zinc/98/19/62/527981962.db2.gz	HQRZMIOCQUAPRF-LLVKDONJSA-N	1	0	333.479	1.003	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)c1cccnc1	ZINC000160397897	441877906	/nfs/dbraw/zinc/87/79/06/441877906.db2.gz	RSTWOEZIKWRDGW-QGZVFWFLSA-N	1	0	346.475	1.828	10	70		EDIERO
CCCN(CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C	ZINC000160891750	441932457	/nfs/dbraw/zinc/93/24/57/441932457.db2.gz	HRWSHQCXAKSKPP-AWEZNQCLSA-N	1	0	342.484	1.979	10	70		EDIERO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@](C)(O)CC	ZINC000160519992	441892261	/nfs/dbraw/zinc/89/22/61/441892261.db2.gz	OVAXEMJLJDWYFK-LJQANCHMSA-N	1	0	349.475	1.945	10	70		EDIERO
CC[C@@](C)(O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1	ZINC000161189233	441969112	/nfs/dbraw/zinc/96/91/12/441969112.db2.gz	FXIFYLURRSLALZ-GOSISDBHSA-N	1	0	337.439	1.334	10	70		EDIERO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)CC2	ZINC000160884251	441932335	/nfs/dbraw/zinc/93/23/35/441932335.db2.gz	JEAPSZLFQWHLFU-CHWSQXEVSA-N	1	0	337.445	1.001	10	70		EDIERO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H]([NH3+])C1)CC2	ZINC000160884127	528385242	/nfs/dbraw/zinc/38/52/42/528385242.db2.gz	JEAPSZLFQWHLFU-STQMWFEESA-N	1	0	337.445	1.001	10	70		EDIERO
CCC[C@H](C(=O)NC[C@@H](C(CC)CC)N1CCOCC1)[NH+](C)C	ZINC000159583784	318419616	/nfs/dbraw/zinc/41/96/16/318419616.db2.gz	ZUWTZEPRTOUNQN-SJORKVTESA-N	1	0	327.513	1.970	10	70		EDIERO
O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000161304393	138643047	/nfs/dbraw/zinc/64/30/47/138643047.db2.gz	YAJJOALXVNWEAG-HNNXBMFYSA-N	1	0	334.468	1.548	10	70		EDIERO
CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(C)=O	ZINC000160212338	225361981	/nfs/dbraw/zinc/36/19/81/225361981.db2.gz	YMHNZMSHXUNYAL-GOEBONIOSA-N	1	0	333.432	1.602	10	70		EDIERO
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160356483	441873622	/nfs/dbraw/zinc/87/36/22/441873622.db2.gz	ZDGHGLFEDGGRHA-GDBMZVCRSA-N	1	0	348.447	1.160	10	70		EDIERO
Cn1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C(F)(F)F)n1	ZINC000160771212	441919371	/nfs/dbraw/zinc/91/93/71/441919371.db2.gz	LHUVYQSAQVTWRX-GFCCVEGCSA-N	1	0	345.369	1.819	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O	ZINC000160398288	441877913	/nfs/dbraw/zinc/87/79/13/441877913.db2.gz	PFARIEWUCQOFQS-IAGOWNOFSA-N	1	0	346.475	1.503	10	70		EDIERO
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H]([NH3+])C1)CC2	ZINC000160883995	441931156	/nfs/dbraw/zinc/93/11/56/441931156.db2.gz	JEAPSZLFQWHLFU-OLZOCXBDSA-N	1	0	337.445	1.001	10	70		EDIERO
C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161113606	441959348	/nfs/dbraw/zinc/95/93/48/441959348.db2.gz	ZDMWTSSPFQDZJK-MRXNPFEDSA-N	1	0	348.495	1.746	10	70		EDIERO
CCc1nn(C)c(C[NH2+]C[C@@]2(OC)CCOC2)c1Br	ZINC000160298472	529766819	/nfs/dbraw/zinc/76/68/19/529766819.db2.gz	QUXCQKSSVXXIHC-ZDUSSCGKSA-N	1	0	332.242	1.640	10	70		EDIERO
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000161219537	225578358	/nfs/dbraw/zinc/57/83/58/225578358.db2.gz	ZYNWIPHWODTGAO-HNNXBMFYSA-N	1	0	332.452	1.110	10	70		EDIERO
CN(C)c1nc(CN(C)C2CC[NH+](CCn3cccn3)CC2)ns1	ZINC000159939888	441849708	/nfs/dbraw/zinc/84/97/08/441849708.db2.gz	INQOJEJHWBPPPJ-UHFFFAOYSA-N	1	0	349.508	1.397	10	70		EDIERO
C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1	ZINC000160479964	441887193	/nfs/dbraw/zinc/88/71/93/441887193.db2.gz	GYZGWIAGMLTNGF-HNNXBMFYSA-N	1	0	338.411	1.850	10	70		EDIERO
O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000161304270	138642997	/nfs/dbraw/zinc/64/29/97/138642997.db2.gz	YAJJOALXVNWEAG-OAHLLOKOSA-N	1	0	334.468	1.548	10	70		EDIERO
Cc1ccc(-c2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)[nH]n2)cc1	ZINC000159949790	441849255	/nfs/dbraw/zinc/84/92/55/441849255.db2.gz	GJFRORZTEQFJBT-MRXNPFEDSA-N	1	0	342.443	1.962	10	70		EDIERO
CC[C@](C)(O)C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000160737083	441915676	/nfs/dbraw/zinc/91/56/76/441915676.db2.gz	SPSULOFEBHXETF-INIZCTEOSA-N	1	0	329.462	1.952	10	70		EDIERO
COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(OC2CCCC2)c1	ZINC000160900210	441933400	/nfs/dbraw/zinc/93/34/00/441933400.db2.gz	FRXGZIWYJJARGH-CJNGLKHVSA-N	1	0	334.416	1.356	10	70		EDIERO
CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161161140	441964668	/nfs/dbraw/zinc/96/46/68/441964668.db2.gz	OTJSDNJLHWMART-AWEZNQCLSA-N	1	0	334.468	1.356	10	70		EDIERO
CC(C)[C@H](O)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000160123479	527718525	/nfs/dbraw/zinc/71/85/25/527718525.db2.gz	NPWRIAXKBBWKDM-MRXNPFEDSA-N	1	0	334.464	1.199	10	70		EDIERO
CNC(=O)C[NH+]1CCC(CN(C)c2nc(C(C)(C)C)ns2)CC1	ZINC000159578567	441823361	/nfs/dbraw/zinc/82/33/61/441823361.db2.gz	IKCJEKZSUBWKLC-UHFFFAOYSA-N	1	0	339.509	1.730	10	70		EDIERO
CCc1n[nH]c(=O)c(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1CC	ZINC000160444707	441883378	/nfs/dbraw/zinc/88/33/78/441883378.db2.gz	TVZJMAQFIHFCMQ-CYBMUJFWSA-N	1	0	347.463	1.274	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc(F)c1	ZINC000160543423	441894885	/nfs/dbraw/zinc/89/48/85/441894885.db2.gz	OUAKREWVFPMKFZ-MRXNPFEDSA-N	1	0	335.423	1.792	10	70		EDIERO
Cc1nn(C)c(CN2CCOC[C@@H]2C[NH2+]C2CC2)c1Br	ZINC000159948437	225308345	/nfs/dbraw/zinc/30/83/45/225308345.db2.gz	WZKFDYSRQYLZAY-LBPRGKRZSA-N	1	0	343.269	1.444	10	70		EDIERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F	ZINC000160265889	225375460	/nfs/dbraw/zinc/37/54/60/225375460.db2.gz	XJPNUHHQHVBVAD-TZMCWYRMSA-N	1	0	346.406	1.664	10	70		EDIERO
CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@@](C)(O)CC)CC2)n1	ZINC000161293171	272930702	/nfs/dbraw/zinc/93/07/02/272930702.db2.gz	XHUBDMVVLLYDMM-BBRMVZONSA-N	1	0	326.441	1.446	10	70		EDIERO
CCNC(=O)C(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160843585	441927735	/nfs/dbraw/zinc/92/77/35/441927735.db2.gz	IFLIFJRINVCQQI-CQSZACIVSA-N	1	0	326.485	1.568	10	70		EDIERO
CNC(=O)[C@@H]1CCCN1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000159394822	540009166	/nfs/dbraw/zinc/00/91/66/540009166.db2.gz	CVUVPCPFUGBHJE-WBVHZDCISA-N	1	0	346.475	1.817	10	70		EDIERO
Cc1nn(C)c(CN2CCOC[C@@H]2C[NH2+]C(C)C)c1Br	ZINC000159969621	225311936	/nfs/dbraw/zinc/31/19/36/225311936.db2.gz	HJKWBDGTPWWSHB-LBPRGKRZSA-N	1	0	345.285	1.690	10	70		EDIERO
[NH3+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1	ZINC000160173053	225353208	/nfs/dbraw/zinc/35/32/08/225353208.db2.gz	NSBDVUCOCYQDNC-INIZCTEOSA-N	1	0	341.415	1.475	10	70		EDIERO
CCC[C@@H](C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1)[NH+](C)C	ZINC000159405389	441809270	/nfs/dbraw/zinc/80/92/70/441809270.db2.gz	BPFYELOSCKSWGL-KRWDZBQOSA-N	1	0	335.496	1.411	10	70		EDIERO
Cc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(=O)[nH]1	ZINC000160588915	441899081	/nfs/dbraw/zinc/89/90/81/441899081.db2.gz	LANBIFGLXYPWGP-OAHLLOKOSA-N	1	0	334.464	1.556	10	70		EDIERO
O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(C(=O)N2CCCC2)n1	ZINC000159369448	534797881	/nfs/dbraw/zinc/79/78/81/534797881.db2.gz	LSRVVQIHPICPOT-UHFFFAOYSA-N	1	0	342.443	1.674	10	70		EDIERO
COC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCOCC1	ZINC000160870252	539784915	/nfs/dbraw/zinc/78/49/15/539784915.db2.gz	QIYOPXYMZPSFDW-OAHLLOKOSA-N	1	0	327.469	1.602	10	70		EDIERO
CN(C(=O)CCn1c2ccccc2oc1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161324303	225603353	/nfs/dbraw/zinc/60/33/53/225603353.db2.gz	ZSTVGAUPHMMUSQ-PBWFPOADSA-N	1	0	329.400	1.726	10	70		EDIERO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000160263147	441869920	/nfs/dbraw/zinc/86/99/20/441869920.db2.gz	HHGOAGXVYWABHH-SWLSCSKDSA-N	1	0	329.379	1.715	10	70		EDIERO
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H](N3CCOCC3)C2)CC1	ZINC000159825953	441841409	/nfs/dbraw/zinc/84/14/09/441841409.db2.gz	DNNAOFLOIVIZRE-KRWDZBQOSA-N	1	0	337.508	1.678	10	70		EDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCCCc2ccccc2)C1	ZINC000161379622	441992783	/nfs/dbraw/zinc/99/27/83/441992783.db2.gz	UCBHAVNGRIMYQV-WBVHZDCISA-N	1	0	331.460	1.580	10	70		EDIERO
CC(C)[C@@H](O)CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000160123608	528614423	/nfs/dbraw/zinc/61/44/23/528614423.db2.gz	NPWRIAXKBBWKDM-INIZCTEOSA-N	1	0	334.464	1.199	10	70		EDIERO
CNC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(Br)c(F)c1	ZINC000161502170	529928997	/nfs/dbraw/zinc/92/89/97/529928997.db2.gz	KDTRYJPAZSFYSG-GFCCVEGCSA-N	1	0	330.201	1.108	10	70		EDIERO
CCc1nn(CC)c(CN2CCOC[C@@H]2C[NH2+]C)c1Br	ZINC000159902208	225299039	/nfs/dbraw/zinc/29/90/39/225299039.db2.gz	LATLWFADJHVHRH-NSHDSACASA-N	1	0	345.285	1.648	10	70		EDIERO
O=C(Cn1cncc1-c1ccccc1Br)N1CC[NH2+]CC1	ZINC000159632294	225251217	/nfs/dbraw/zinc/25/12/17/225251217.db2.gz	RVCVJOXBYCMKDD-UHFFFAOYSA-N	1	0	349.232	1.744	10	70		EDIERO
C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160356103	441873834	/nfs/dbraw/zinc/87/38/34/441873834.db2.gz	ZDGHGLFEDGGRHA-HOCLYGCPSA-N	1	0	348.447	1.160	10	70		EDIERO
CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@](C)(O)CC)CC2)n1	ZINC000161293308	441982613	/nfs/dbraw/zinc/98/26/13/441982613.db2.gz	XHUBDMVVLLYDMM-XJKSGUPXSA-N	1	0	326.441	1.446	10	70		EDIERO
C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000160756470	441917737	/nfs/dbraw/zinc/91/77/37/441917737.db2.gz	SELGJQZEDPHGAN-GWCFXTLKSA-N	1	0	328.409	1.549	10	70		EDIERO
COc1cccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160569952	441898101	/nfs/dbraw/zinc/89/81/01/441898101.db2.gz	HHGHSXWKOOBKHV-MRXNPFEDSA-N	1	0	347.459	1.662	10	70		EDIERO
CNC(=O)c1cncc(/C=C/C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160577610	441898943	/nfs/dbraw/zinc/89/89/43/441898943.db2.gz	MMVZTPVOIDSJHH-DKRLNXSXSA-N	1	0	344.459	1.691	10	70		EDIERO
CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)[NH+](C)C	ZINC000161095302	441956532	/nfs/dbraw/zinc/95/65/32/441956532.db2.gz	QCJMDUFCKSROOR-GJZGRUSLSA-N	1	0	339.505	1.968	10	70		EDIERO
[NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc(Cl)cc2Cl)C1	ZINC000159880389	534635344	/nfs/dbraw/zinc/63/53/44/534635344.db2.gz	ADFHAQIKHFOTLQ-JTQLQIEISA-N	1	0	331.247	1.675	10	70		EDIERO
Cn1cc(N2CCC[C@@H]([NH+]3CCC(c4ccnn4C)CC3)C2=O)cn1	ZINC000160069424	534739020	/nfs/dbraw/zinc/73/90/20/534739020.db2.gz	BIRCQLRAGZECCJ-QGZVFWFLSA-N	1	0	342.447	1.529	10	70		EDIERO
CC(C)[C@@H](O)CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1	ZINC000159824383	528616701	/nfs/dbraw/zinc/61/67/01/528616701.db2.gz	IBIOMBPDKWQIBK-KRWDZBQOSA-N	1	0	347.459	1.858	10	70		EDIERO
C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000161201913	283554675	/nfs/dbraw/zinc/55/46/75/283554675.db2.gz	FCUPGDDICPJPIK-OCCSQVGLSA-N	1	0	342.436	1.588	10	70		EDIERO
CC[NH2+]C[C@H]1COCCN1Cc1c(Br)c(C)nn1CC	ZINC000159913914	201410768	/nfs/dbraw/zinc/41/07/68/201410768.db2.gz	QZIKCNHRRBLRGD-LBPRGKRZSA-N	1	0	345.285	1.784	10	70		EDIERO
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1	ZINC000160339157	529180805	/nfs/dbraw/zinc/18/08/05/529180805.db2.gz	BBSXPYNNAJSNQR-GXTWGEPZSA-N	1	0	339.461	1.327	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OCC(N)=O)cc1	ZINC000159725891	206259980	/nfs/dbraw/zinc/25/99/80/206259980.db2.gz	WEDBODPCHMZZAE-OAHLLOKOSA-N	1	0	348.447	1.793	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)Cc1ccccc1	ZINC000160396396	441877864	/nfs/dbraw/zinc/87/78/64/441877864.db2.gz	JZPGASYUHRAWKG-QGZVFWFLSA-N	1	0	331.460	1.582	10	70		EDIERO
CCc1noc(C)c1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccccc1	ZINC000160020166	540018301	/nfs/dbraw/zinc/01/83/01/540018301.db2.gz	QOUSYYBVVIVJNI-OAHLLOKOSA-N	1	0	344.415	1.903	10	70		EDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CO[C@@H]1CCOC1	ZINC000160025077	206275703	/nfs/dbraw/zinc/27/57/03/206275703.db2.gz	IGXHUJQXBONPNK-BZUAXINKSA-N	1	0	327.469	1.600	10	70		EDIERO
C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1	ZINC000160479823	206299105	/nfs/dbraw/zinc/29/91/05/206299105.db2.gz	GYZGWIAGMLTNGF-OAHLLOKOSA-N	1	0	338.411	1.850	10	70		EDIERO
NC(=O)NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161068567	206327168	/nfs/dbraw/zinc/32/71/68/206327168.db2.gz	VTRFKWAXUUIXDX-RYUDHWBXSA-N	1	0	345.321	1.398	10	70		EDIERO
CCC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C)C(=O)Nc1ccccc1	ZINC000159953279	441849196	/nfs/dbraw/zinc/84/91/96/441849196.db2.gz	NGNBJHLFWYWHIH-DOTOQJQBSA-N	1	0	347.459	1.709	10	70		EDIERO
CCC[C@H](C(=O)N1CCN(CCOc2ccccc2)CC1)[NH+](C)C	ZINC000161258055	441978201	/nfs/dbraw/zinc/97/82/01/441978201.db2.gz	SFMQOLWJBBEBNG-GOSISDBHSA-N	1	0	333.476	1.940	10	70		EDIERO
CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)C(C)C	ZINC000159921575	441847858	/nfs/dbraw/zinc/84/78/58/441847858.db2.gz	KFNHIUUIFAMJOS-NVXWUHKLSA-N	1	0	341.496	1.136	10	70		EDIERO
CCCNC(=O)[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(Cl)s1	ZINC000159392206	201408443	/nfs/dbraw/zinc/40/84/43/201408443.db2.gz	GCGHBSIFMUPXFW-QWRGUYRKSA-N	1	0	331.869	1.628	10	70		EDIERO
O=C(CCc1nc(-c2ccco2)no1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160575082	206305006	/nfs/dbraw/zinc/30/50/06/206305006.db2.gz	DAAGKGTZCHXWGC-CYBMUJFWSA-N	1	0	348.403	1.225	10	70		EDIERO
CC[C@H](O)C[NH+]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)CC1	ZINC000159715959	206259688	/nfs/dbraw/zinc/25/96/88/206259688.db2.gz	IGTORRZDRFQACI-MAUKXSAKSA-N	1	0	349.450	1.710	10	70		EDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1	ZINC000161147937	206331497	/nfs/dbraw/zinc/33/14/97/206331497.db2.gz	RKXRQIKGGMUNBA-NEWSRXKRSA-N	1	0	345.487	1.732	10	70		EDIERO
CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1	ZINC000161360738	441991366	/nfs/dbraw/zinc/99/13/66/441991366.db2.gz	MPVRIOCJKKCEQV-PMPSAXMXSA-N	1	0	338.452	1.034	10	70		EDIERO
CCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)[NH+](C)C	ZINC000161259518	206337084	/nfs/dbraw/zinc/33/70/84/206337084.db2.gz	VIKBEYMMVZYCEH-ZDUSSCGKSA-N	1	0	327.450	1.572	10	70		EDIERO
CC(C)[N@H+]1C[C@H](NC(=O)C(=O)NCCCc2ccccc2)[C@@H](C)C1	ZINC000161379714	206345449	/nfs/dbraw/zinc/34/54/49/206345449.db2.gz	UCBHAVNGRIMYQV-RDJZCZTQSA-N	1	0	331.460	1.580	10	70		EDIERO
CCC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+](C)C	ZINC000161442423	206347474	/nfs/dbraw/zinc/34/74/74/206347474.db2.gz	VWLWIYIEDDXDSD-NSHDSACASA-N	1	0	331.338	1.889	10	70		EDIERO
CCC[C@@H](C(=O)N1CCN(CCOc2ccccc2)CC1)[NH+](C)C	ZINC000161257935	441978470	/nfs/dbraw/zinc/97/84/70/441978470.db2.gz	SFMQOLWJBBEBNG-SFHVURJKSA-N	1	0	333.476	1.940	10	70		EDIERO
CO[C@@H]1CCN(C(=O)c2cc(Br)cn2C)[C@@H](C[NH3+])C1	ZINC000161125609	277653229	/nfs/dbraw/zinc/65/32/29/277653229.db2.gz	CTCWZHZENIWCMF-GHMZBOCLSA-N	1	0	330.226	1.366	10	70		EDIERO
Cc1ccccc1C(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160507288	441891115	/nfs/dbraw/zinc/89/11/15/441891115.db2.gz	HRTGDWULWBCVRG-MRXNPFEDSA-N	1	0	331.460	1.961	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)CC2	ZINC000161408273	302926510	/nfs/dbraw/zinc/92/65/10/302926510.db2.gz	IAECPSYHELLHJU-HNNXBMFYSA-N	1	0	348.495	1.700	10	70		EDIERO
CCCCOCCNC(=O)CN1CCC[C@@H](c2nncn2CC)C1	ZINC000161352664	441989635	/nfs/dbraw/zinc/98/96/35/441989635.db2.gz	TZCJVWPLVIRAGP-OAHLLOKOSA-N	1	0	337.468	1.410	10	70		EDIERO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(N2CCNC2=O)ccc1F	ZINC000160265998	533999163	/nfs/dbraw/zinc/99/91/63/533999163.db2.gz	XJPNUHHQHVBVAD-GXTWGEPZSA-N	1	0	346.406	1.664	10	70		EDIERO
CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCOC[C@@H]1C(=O)NC	ZINC000159373804	529454144	/nfs/dbraw/zinc/45/41/44/529454144.db2.gz	OVIGUPNRHWGKQS-OPQQBVKSSA-N	1	0	331.869	1.627	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)CC2	ZINC000161408136	441996735	/nfs/dbraw/zinc/99/67/35/441996735.db2.gz	IAECPSYHELLHJU-OAHLLOKOSA-N	1	0	348.495	1.700	10	70		EDIERO
CCC[C@H](C(=O)NCC1(N2CCOCC2)CCCCC1)[NH+](C)C	ZINC000161227629	441974549	/nfs/dbraw/zinc/97/45/49/441974549.db2.gz	BLAICYAQJAITAG-MRXNPFEDSA-N	1	0	325.497	1.868	10	70		EDIERO
CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)Cc2ccco2)C1	ZINC000161420940	441997883	/nfs/dbraw/zinc/99/78/83/441997883.db2.gz	FBLKLLGYGAYXDB-AWEZNQCLSA-N	1	0	331.420	1.729	10	70		EDIERO
Cn1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C(F)(F)F)n1	ZINC000160771316	441919655	/nfs/dbraw/zinc/91/96/55/441919655.db2.gz	LHUVYQSAQVTWRX-LBPRGKRZSA-N	1	0	345.369	1.819	10	70		EDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2Cl)C1	ZINC000161337019	441987289	/nfs/dbraw/zinc/98/72/89/441987289.db2.gz	NFIGWVNDXPALTP-ABAIWWIYSA-N	1	0	348.838	1.774	10	70		EDIERO
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CC2	ZINC000161471921	442002516	/nfs/dbraw/zinc/00/25/16/442002516.db2.gz	IFKPRROINCKROO-LSDHHAIUSA-N	1	0	346.479	1.596	10	70		EDIERO
CC[NH2+]CC1CCN(c2cnn(C)c(=O)c2Br)CC1	ZINC000159821709	528290831	/nfs/dbraw/zinc/29/08/31/528290831.db2.gz	RPAKUHXQBBANOK-UHFFFAOYSA-N	1	0	329.242	1.369	10	70		EDIERO
CC[C@H]1CN(c2nc(C(C)C)nc(N(C)C)n2)CC[N@@H+]1CCOC	ZINC000159407244	529301957	/nfs/dbraw/zinc/30/19/57/529301957.db2.gz	GUEVJBCBQOKSOS-AWEZNQCLSA-N	1	0	336.484	1.608	10	70		EDIERO
CO[C@]1(C[NH2+]CC(=O)Nc2cccc(Br)c2)CCOC1	ZINC000160342444	225392038	/nfs/dbraw/zinc/39/20/38/225392038.db2.gz	DFXYEAZXOTWLPN-AWEZNQCLSA-N	1	0	343.221	1.783	10	70		EDIERO
C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCOCC1	ZINC000160286352	441870741	/nfs/dbraw/zinc/87/07/41/441870741.db2.gz	REHVLVRMWMKRCY-INIZCTEOSA-N	1	0	340.512	1.471	10	70		EDIERO
NC(=O)NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161068786	441952292	/nfs/dbraw/zinc/95/22/92/441952292.db2.gz	VTRFKWAXUUIXDX-NEPJUHHUSA-N	1	0	345.321	1.398	10	70		EDIERO
C[C@H](NC(=O)COc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161334439	441987717	/nfs/dbraw/zinc/98/77/17/441987717.db2.gz	VEORNSMIOMMYII-LSVZVQIISA-N	1	0	345.443	1.312	10	70		EDIERO