smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000171645251	546217007	/nfs/dbraw/zinc/21/70/07/546217007.db2.gz	QCUZFCOARJLDGY-SFHVURJKSA-N	1	0	367.497	2.198	10	10		FECERO
Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316815	546774289	/nfs/dbraw/zinc/77/42/89/546774289.db2.gz	XIPIBKWFZPNZHA-HXUWFJFHSA-N	1	0	369.513	2.381	10	10		FECERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@@H]3C)cc2F)CC1	ZINC000191430136	548344943	/nfs/dbraw/zinc/34/49/43/548344943.db2.gz	KZTQOGALJWUGNJ-NVXWUHKLSA-N	1	0	363.477	2.399	10	10		FECERO
CCC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](C)C	ZINC000156624373	545640235	/nfs/dbraw/zinc/64/02/35/545640235.db2.gz	LUKWNIJXAVNEAZ-GOSISDBHSA-N	1	0	351.466	2.133	10	10		FECERO
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CC[N@@H+]1C[C@H](C)O	ZINC000245804722	672825077	/nfs/dbraw/zinc/82/50/77/672825077.db2.gz	YIJXORRZPWBCGR-SWLSCSKDSA-N	1	0	357.292	2.432	10	10		FECERO
c1cnnc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1	ZINC000120296508	543677832	/nfs/dbraw/zinc/67/78/32/543677832.db2.gz	CXHDNCZTHDYMCG-UHFFFAOYSA-N	1	0	353.470	2.390	10	10		FECERO
Cc1cccc(C[NH+]2CCN(c3nc(C)nc4c3cnn4C)CC2)c1O	ZINC000180119642	547054400	/nfs/dbraw/zinc/05/44/00/547054400.db2.gz	XHHVGTZZVYIYKQ-UHFFFAOYSA-N	1	0	352.442	2.008	10	10		FECERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@H]3C)cc2F)CC1	ZINC000191430166	548345144	/nfs/dbraw/zinc/34/51/44/548345144.db2.gz	KZTQOGALJWUGNJ-DOTOQJQBSA-N	1	0	363.477	2.399	10	10		FECERO
COc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1O	ZINC000120583349	671929493	/nfs/dbraw/zinc/92/94/93/671929493.db2.gz	TXUWSAPPSDFVOX-NWDGAFQWSA-N	1	0	373.291	2.050	10	10		FECERO
COc1cc(Cl)cc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O	ZINC000184690534	547866128	/nfs/dbraw/zinc/86/61/28/547866128.db2.gz	FNOBFPVXHHKPMI-UHFFFAOYSA-N	1	0	364.877	2.496	10	10		FECERO
COc1ccc([N+]2=C3SCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1	ZINC000022405038	539695006	/nfs/dbraw/zinc/69/50/06/539695006.db2.gz	FZTZLYTUPYHILM-IBGZPJMESA-N	1	0	357.455	2.484	10	10		FECERO
Cc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	ZINC000172753711	546266899	/nfs/dbraw/zinc/26/68/99/546266899.db2.gz	YWNBGSDVMHBDDL-QGZVFWFLSA-N	1	0	354.454	2.036	10	10		FECERO
CC[C@H]1CN(Cc2cc(Br)ccc2O)CC[N@@H+]1C[C@H](C)O	ZINC000245804727	672824889	/nfs/dbraw/zinc/82/48/89/672824889.db2.gz	YIJXORRZPWBCGR-WFASDCNBSA-N	1	0	357.292	2.432	10	10		FECERO
COc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O	ZINC000120971103	543687357	/nfs/dbraw/zinc/68/73/57/543687357.db2.gz	OENIIUHUGZYMMQ-CQSZACIVSA-N	1	0	371.275	2.070	10	10		FECERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@@H]3C)cc2F)CC1	ZINC000191430152	548345209	/nfs/dbraw/zinc/34/52/09/548345209.db2.gz	KZTQOGALJWUGNJ-WBVHZDCISA-N	1	0	363.477	2.399	10	10		FECERO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	ZINC000702849175	673061048	/nfs/dbraw/zinc/06/10/48/673061048.db2.gz	SUXXTWVURMCDJS-HZPDHXFCSA-N	1	0	350.459	2.321	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000178699657	546835604	/nfs/dbraw/zinc/83/56/04/546835604.db2.gz	OFIFODDIYYKMEN-NQIIRXRSSA-N	1	0	359.514	2.338	10	10		FECERO
CCc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	ZINC000702849147	673061062	/nfs/dbraw/zinc/06/10/62/673061062.db2.gz	SCPKXIXERRWLRK-HOTGVXAUSA-N	1	0	350.459	2.272	10	10		FECERO
CN1CC2(CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)OC1=O	ZINC000072431060	136146962	/nfs/dbraw/zinc/14/69/62/136146962.db2.gz	VFPNXLSODQRMIO-UHFFFAOYSA-N	1	0	373.453	2.301	10	10		FECERO
C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2	ZINC000102682348	543077562	/nfs/dbraw/zinc/07/75/62/543077562.db2.gz	ROICNIVJSJKDED-HNNXBMFYSA-N	1	0	369.465	2.491	10	10		FECERO
CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000188130586	548272595	/nfs/dbraw/zinc/27/25/95/548272595.db2.gz	JVDUWIFJWGLESL-HKUYNNGSSA-N	1	0	373.522	2.138	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152268381	544631769	/nfs/dbraw/zinc/63/17/69/544631769.db2.gz	XNTBZPQOOTYZNC-FQEVSTJZSA-N	1	0	368.481	2.259	10	10		FECERO
Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O	ZINC000158028455	545814218	/nfs/dbraw/zinc/81/42/18/545814218.db2.gz	AXYDZZOVGANLTG-OAHLLOKOSA-N	1	0	355.276	2.370	10	10		FECERO
CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000173849778	546287394	/nfs/dbraw/zinc/28/73/94/546287394.db2.gz	RVCIYXBRXYRPHE-MRXNPFEDSA-N	1	0	358.442	2.118	10	10		FECERO
CCOc1cccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)c1O	ZINC000173853694	546288325	/nfs/dbraw/zinc/28/83/25/546288325.db2.gz	QROCRSFSIKOBRQ-HNNXBMFYSA-N	1	0	358.442	2.118	10	10		FECERO
Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1	ZINC000093273202	542922879	/nfs/dbraw/zinc/92/28/79/542922879.db2.gz	NAGQVQYGQZGKSC-UHFFFAOYSA-N	1	0	365.485	2.060	10	10		FECERO
Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577263	544924003	/nfs/dbraw/zinc/92/40/03/544924003.db2.gz	WYARKDZFHSPEHY-IBGZPJMESA-N	1	0	355.486	2.038	10	10		FECERO
Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(O)c1O	ZINC000190595310	548329775	/nfs/dbraw/zinc/32/97/75/548329775.db2.gz	PDLALLVZXRMNKO-MRXNPFEDSA-N	1	0	355.438	2.395	10	10		FECERO
C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2	ZINC000102682350	543077626	/nfs/dbraw/zinc/07/76/26/543077626.db2.gz	ROICNIVJSJKDED-OAHLLOKOSA-N	1	0	369.465	2.491	10	10		FECERO
CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215733	543219414	/nfs/dbraw/zinc/21/94/14/543219414.db2.gz	BOUVBOQBZKOAAH-LJQANCHMSA-N	1	0	369.513	2.465	10	10		FECERO
CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000181817876	547385946	/nfs/dbraw/zinc/38/59/46/547385946.db2.gz	NBGQLFOFYIJDFU-IEBWSBKVSA-N	1	0	372.513	2.049	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccnn3C)CC2)cc1	ZINC000195502759	548650834	/nfs/dbraw/zinc/65/08/34/548650834.db2.gz	QUUYUTIREFEKQD-UHFFFAOYSA-N	1	0	369.513	2.324	10	10		FECERO
C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1	ZINC000123301628	543754178	/nfs/dbraw/zinc/75/41/78/543754178.db2.gz	NNTDUCOCYRIAOG-HOTGVXAUSA-N	1	0	351.466	2.034	10	10		FECERO
COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000186327688	548120138	/nfs/dbraw/zinc/12/01/38/548120138.db2.gz	ZSMDWPUKXOYELA-XJKSGUPXSA-N	1	0	358.442	2.289	10	10		FECERO
CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1	ZINC000132411702	544230212	/nfs/dbraw/zinc/23/02/12/544230212.db2.gz	CIMCPRVGQJMAOL-PXNSSMCTSA-N	1	0	374.529	2.393	10	10		FECERO
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000190635896	548331054	/nfs/dbraw/zinc/33/10/54/548331054.db2.gz	RVYNIKZZXDQZQV-FZMUQLTDSA-N	1	0	367.449	2.487	10	10		FECERO
CC[C@@H](O)C[NH+]1CCN(Cc2cc(Br)cc(OC)c2O)CC1	ZINC000123487621	671980238	/nfs/dbraw/zinc/98/02/38/671980238.db2.gz	ROMMVTCHAREAIQ-CQSZACIVSA-N	1	0	373.291	2.052	10	10		FECERO
Cc1ccc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1	ZINC000093271796	542922313	/nfs/dbraw/zinc/92/23/13/542922313.db2.gz	NLRYPTTXYDEKHY-UHFFFAOYSA-N	1	0	367.497	2.334	10	10		FECERO
Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	ZINC000172753707	546266269	/nfs/dbraw/zinc/26/62/69/546266269.db2.gz	YWNBGSDVMHBDDL-KRWDZBQOSA-N	1	0	354.454	2.036	10	10		FECERO
CCOCCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C	ZINC000245936570	672826682	/nfs/dbraw/zinc/82/66/82/672826682.db2.gz	QEARBRRAAQVDBN-CYBMUJFWSA-N	1	0	353.419	2.159	10	10		FECERO
CCc1nccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215737	543219255	/nfs/dbraw/zinc/21/92/55/543219255.db2.gz	BOUVBOQBZKOAAH-IBGZPJMESA-N	1	0	369.513	2.465	10	10		FECERO
CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000171645249	546217278	/nfs/dbraw/zinc/21/72/78/546217278.db2.gz	QCUZFCOARJLDGY-GOSISDBHSA-N	1	0	367.497	2.198	10	10		FECERO
CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCN4C)C2)n1	ZINC000328630594	553799590	/nfs/dbraw/zinc/79/95/90/553799590.db2.gz	JOVYRNOBTRILDH-QGZVFWFLSA-N	1	0	353.470	2.072	10	10		FECERO
CCCn1cc(CN2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cn1	ZINC000121682174	543698512	/nfs/dbraw/zinc/69/85/12/543698512.db2.gz	BZTYWIQEGGDVEN-UHFFFAOYSA-N	1	0	372.469	2.435	10	10		FECERO
COc1cc(O)c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC	ZINC000180079078	547047898	/nfs/dbraw/zinc/04/78/98/547047898.db2.gz	ASBGOOCRYSCVQV-OAHLLOKOSA-N	1	0	358.442	2.300	10	10		FECERO
Cc1c([C@H]2[C@H](C[NH2+]Cc3ccc4c(c3)CCN4C)CC(=O)N2C)cnn1C	ZINC000328626092	553798434	/nfs/dbraw/zinc/79/84/34/553798434.db2.gz	LITZJRGTNGUALP-LAUBAEHRSA-N	1	0	367.497	2.030	10	10		FECERO
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000171902119	672337345	/nfs/dbraw/zinc/33/73/45/672337345.db2.gz	HJKDLHBYRNPWOC-SFHVURJKSA-N	1	0	360.527	2.229	10	10		FECERO
C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	ZINC000180224125	547070208	/nfs/dbraw/zinc/07/02/08/547070208.db2.gz	BDBUCASWGVFBKW-WFASDCNBSA-N	1	0	355.276	2.307	10	10		FECERO
CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	ZINC000180631913	547146341	/nfs/dbraw/zinc/14/63/41/547146341.db2.gz	IUMPWDFSBVCSSA-ZBFHGGJFSA-N	1	0	373.476	2.482	10	10		FECERO
COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000182346659	547476601	/nfs/dbraw/zinc/47/66/01/547476601.db2.gz	YYNRFSOYRMIIJY-QAPCUYQASA-N	1	0	356.466	2.471	10	10		FECERO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1C[C@@H](C)O	ZINC000181982488	672436034	/nfs/dbraw/zinc/43/60/34/672436034.db2.gz	MYECQSCHYCFGBV-KGLIPLIRSA-N	1	0	372.560	2.112	10	10		FECERO
COc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	ZINC000702849174	673061019	/nfs/dbraw/zinc/06/10/19/673061019.db2.gz	SUXXTWVURMCDJS-HOTGVXAUSA-N	1	0	350.459	2.321	10	10		FECERO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O	ZINC000705767712	673062644	/nfs/dbraw/zinc/06/26/44/673062644.db2.gz	QGUHQRLNBTZHIR-OZVIIMIRSA-N	1	0	354.422	2.410	10	10		FECERO
C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1N1CCOCC1	ZINC000180231344	672411324	/nfs/dbraw/zinc/41/13/24/672411324.db2.gz	VABBIJHXLARSKF-DOMZBBRYSA-N	1	0	355.276	2.307	10	10		FECERO
COCC[N@@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C	ZINC000120787694	671935573	/nfs/dbraw/zinc/93/55/73/671935573.db2.gz	PAGNLVJKFMSNEI-GFCCVEGCSA-N	1	0	373.291	2.316	10	10		FECERO
Cc1nc(C[C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406646	546207489	/nfs/dbraw/zinc/20/74/89/546207489.db2.gz	NSQLFJXTUKRUSE-KRWDZBQOSA-N	1	0	371.485	2.015	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000178699641	546835849	/nfs/dbraw/zinc/83/58/49/546835849.db2.gz	OFIFODDIYYKMEN-WIYYLYMNSA-N	1	0	359.514	2.338	10	10		FECERO
Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000328626666	553798648	/nfs/dbraw/zinc/79/86/48/553798648.db2.gz	FILZURWAQNQSKO-HKUYNNGSSA-N	1	0	374.460	2.406	10	10		FECERO
c1cnnc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)c1	ZINC000093150276	542912772	/nfs/dbraw/zinc/91/27/72/542912772.db2.gz	XZGPCTXRWWXWDU-UHFFFAOYSA-N	1	0	353.470	2.026	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1	ZINC000195505860	548652700	/nfs/dbraw/zinc/65/27/00/548652700.db2.gz	VDDFQCFNWQRQHG-UHFFFAOYSA-N	1	0	355.486	2.314	10	10		FECERO
CCOc1cccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1O	ZINC000173853684	546287376	/nfs/dbraw/zinc/28/73/76/546287376.db2.gz	QROCRSFSIKOBRQ-OAHLLOKOSA-N	1	0	358.442	2.118	10	10		FECERO
COc1cc(O)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1OC	ZINC000180080165	547049265	/nfs/dbraw/zinc/04/92/65/547049265.db2.gz	RFKGTBNBZXYPEX-UHFFFAOYSA-N	1	0	358.442	2.300	10	10		FECERO
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179515974	672402636	/nfs/dbraw/zinc/40/26/36/672402636.db2.gz	NTLUDPYHUCCDBX-GFCCVEGCSA-N	1	0	371.865	2.478	10	10		FECERO
CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)[C@H](O)C1	ZINC000702817520	673060212	/nfs/dbraw/zinc/06/02/12/673060212.db2.gz	GIMCJNBNJQIENN-IUODEOHRSA-N	1	0	356.850	2.363	10	10		FECERO
COc1cc(O)c(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261919	546022727	/nfs/dbraw/zinc/02/27/27/546022727.db2.gz	GRYYOVVNYSLSGF-MRXNPFEDSA-N	1	0	361.442	2.124	10	10		FECERO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1C[C@H](C)O	ZINC000248489662	672857607	/nfs/dbraw/zinc/85/76/07/672857607.db2.gz	MYECQSCHYCFGBV-UONOGXRCSA-N	1	0	372.560	2.112	10	10		FECERO
CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000173849790	546287353	/nfs/dbraw/zinc/28/73/53/546287353.db2.gz	RVCIYXBRXYRPHE-INIZCTEOSA-N	1	0	358.442	2.118	10	10		FECERO
CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000175648307	546327406	/nfs/dbraw/zinc/32/74/06/546327406.db2.gz	ZBBILFVLFDDPOM-ZDUSSCGKSA-N	1	0	352.450	2.259	10	10		FECERO
COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000186327698	548119639	/nfs/dbraw/zinc/11/96/39/548119639.db2.gz	ZSMDWPUKXOYELA-CJNGLKHVSA-N	1	0	358.442	2.289	10	10		FECERO
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000177232348	672381404	/nfs/dbraw/zinc/38/14/04/672381404.db2.gz	CAAPMUDRZLLDPC-PXAZEXFGSA-N	1	0	352.862	2.401	10	10		FECERO
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1	ZINC000702817521	673060108	/nfs/dbraw/zinc/06/01/08/673060108.db2.gz	GIMCJNBNJQIENN-SWLSCSKDSA-N	1	0	356.850	2.363	10	10		FECERO
CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2)CC1	ZINC000117047853	543622081	/nfs/dbraw/zinc/62/20/81/543622081.db2.gz	GDPKCKNGXDZDNQ-HXUWFJFHSA-N	1	0	374.529	2.395	10	10		FECERO
Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577379	544924567	/nfs/dbraw/zinc/92/45/67/544924567.db2.gz	WYARKDZFHSPEHY-LJQANCHMSA-N	1	0	355.486	2.038	10	10		FECERO
COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000182346640	547475912	/nfs/dbraw/zinc/47/59/12/547475912.db2.gz	YYNRFSOYRMIIJY-YJBOKZPZSA-N	1	0	356.466	2.471	10	10		FECERO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1C[C@H](C)O	ZINC000248489661	672857827	/nfs/dbraw/zinc/85/78/27/672857827.db2.gz	MYECQSCHYCFGBV-KBPBESRZSA-N	1	0	372.560	2.112	10	10		FECERO
CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O	ZINC000702849146	673060866	/nfs/dbraw/zinc/06/08/66/673060866.db2.gz	SCPKXIXERRWLRK-CVEARBPZSA-N	1	0	350.459	2.272	10	10		FECERO
C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1	ZINC000123301857	543753921	/nfs/dbraw/zinc/75/39/21/543753921.db2.gz	NNTDUCOCYRIAOG-CVEARBPZSA-N	1	0	351.466	2.034	10	10		FECERO
COc1cc(O)c(CN2CCN(C[C@H](O)c3ccccc3)CC2)cc1OC	ZINC000160256664	546022944	/nfs/dbraw/zinc/02/29/44/546022944.db2.gz	GCQPVCJPRNEPOW-IBGZPJMESA-N	1	0	372.465	2.261	10	10		FECERO
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O	ZINC000705767708	673062707	/nfs/dbraw/zinc/06/27/07/673062707.db2.gz	QGUHQRLNBTZHIR-MQIPJXDCSA-N	1	0	354.422	2.410	10	10		FECERO
COc1ccc(N2CCN(c3nc[nH+]c(NNC(C)(C)C)c3N)CC2)cc1	ZINC000040727871	536704203	/nfs/dbraw/zinc/70/42/03/536704203.db2.gz	ONOYYHPCGFUTPY-UHFFFAOYSA-N	1	0	371.489	2.109	10	10		FECERO
CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O	ZINC000181564926	672428105	/nfs/dbraw/zinc/42/81/05/672428105.db2.gz	AQVQGZVSDIHYIR-JTQLQIEISA-N	1	0	366.414	2.232	10	10		FECERO
CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O	ZINC000181564949	672428151	/nfs/dbraw/zinc/42/81/51/672428151.db2.gz	AQVQGZVSDIHYIR-SNVBAGLBSA-N	1	0	366.414	2.232	10	10		FECERO
CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326213	/nfs/dbraw/zinc/32/62/13/548326213.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	1	0	355.438	2.470	10	10		FECERO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1C[C@@H](C)O	ZINC000181982467	672436076	/nfs/dbraw/zinc/43/60/76/672436076.db2.gz	MYECQSCHYCFGBV-ZIAGYGMSSA-N	1	0	372.560	2.112	10	10		FECERO
COc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1O	ZINC000245779047	672824437	/nfs/dbraw/zinc/82/44/37/672824437.db2.gz	TXUWSAPPSDFVOX-NEPJUHHUSA-N	1	0	373.291	2.050	10	10		FECERO
COc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC	ZINC000121557019	543696203	/nfs/dbraw/zinc/69/62/03/543696203.db2.gz	YVVXMPSOURBHLQ-CYBMUJFWSA-N	1	0	367.446	2.141	10	10		FECERO
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000121556321	671952170	/nfs/dbraw/zinc/95/21/70/671952170.db2.gz	IEMBKQAMFCSDSP-ZDUSSCGKSA-N	1	0	353.419	2.159	10	10		FECERO
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000171902118	672337293	/nfs/dbraw/zinc/33/72/93/672337293.db2.gz	HJKDLHBYRNPWOC-GOSISDBHSA-N	1	0	360.527	2.229	10	10		FECERO
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000246304817	672834617	/nfs/dbraw/zinc/83/46/17/672834617.db2.gz	CAAPMUDRZLLDPC-YVEFUNNKSA-N	1	0	352.862	2.401	10	10		FECERO
C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	ZINC000180224110	547070067	/nfs/dbraw/zinc/07/00/67/547070067.db2.gz	BDBUCASWGVFBKW-DOMZBBRYSA-N	1	0	355.276	2.307	10	10		FECERO
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000184864816	547889008	/nfs/dbraw/zinc/88/90/08/547889008.db2.gz	DJYCGCYMMQRXBD-IEBWSBKVSA-N	1	0	374.529	2.273	10	10		FECERO
COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000186327672	548119670	/nfs/dbraw/zinc/11/96/70/548119670.db2.gz	ZSMDWPUKXOYELA-BBRMVZONSA-N	1	0	358.442	2.289	10	10		FECERO
CCOCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1CC	ZINC000160257199	672289829	/nfs/dbraw/zinc/28/98/29/672289829.db2.gz	SUNMDYPLNJGHKJ-MRXNPFEDSA-N	1	0	352.475	2.342	10	10		FECERO
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000246304791	672834726	/nfs/dbraw/zinc/83/47/26/672834726.db2.gz	CAAPMUDRZLLDPC-SJKOYZFVSA-N	1	0	352.862	2.401	10	10		FECERO
Nc1c2ccccc2[nH+]c2c(C(=O)NCCN3CCOCC3)cccc12	ZINC000006117624	560205284	/nfs/dbraw/zinc/20/52/84/560205284.db2.gz	CUJXCTHCYRNLIF-UHFFFAOYSA-N	1	0	350.422	2.032	10	10	in-vitro	FECERO
CC[C@H]1CN(Cc2cc(Br)ccc2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120677266	671932299	/nfs/dbraw/zinc/93/22/99/671932299.db2.gz	YIJXORRZPWBCGR-DOMZBBRYSA-N	1	0	357.292	2.432	10	10		FECERO
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179515966	672402691	/nfs/dbraw/zinc/40/26/91/672402691.db2.gz	NTLUDPYHUCCDBX-LBPRGKRZSA-N	1	0	371.865	2.478	10	10		FECERO
COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C	ZINC000702849173	673060972	/nfs/dbraw/zinc/06/09/72/673060972.db2.gz	SUXXTWVURMCDJS-CVEARBPZSA-N	1	0	350.459	2.321	10	10		FECERO
C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342186	544530245	/nfs/dbraw/zinc/53/02/45/544530245.db2.gz	KKTDPVNCNLFEHP-FUHWJXTLSA-N	1	0	365.493	2.160	10	10		FECERO
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1	ZINC000702817519	673060267	/nfs/dbraw/zinc/06/02/67/673060267.db2.gz	GIMCJNBNJQIENN-DOMZBBRYSA-N	1	0	356.850	2.363	10	10		FECERO
COc1cc(O)c(CN2CCN(Cc3c(C)nn(C)c3C)CC2)cc1OC	ZINC000160258317	546022481	/nfs/dbraw/zinc/02/24/81/546022481.db2.gz	XQFMZWWRHUKXNF-UHFFFAOYSA-N	1	0	374.485	2.078	10	10		FECERO
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000177232366	672381390	/nfs/dbraw/zinc/38/13/90/672381390.db2.gz	CAAPMUDRZLLDPC-SJCJKPOMSA-N	1	0	352.862	2.401	10	10		FECERO
Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O	ZINC000158028292	545814642	/nfs/dbraw/zinc/81/46/42/545814642.db2.gz	AXYDZZOVGANLTG-HNNXBMFYSA-N	1	0	355.276	2.370	10	10		FECERO
COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1	ZINC000186327715	548119952	/nfs/dbraw/zinc/11/99/52/548119952.db2.gz	ZSMDWPUKXOYELA-CZUORRHYSA-N	1	0	358.442	2.289	10	10		FECERO
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000190635920	548330901	/nfs/dbraw/zinc/33/09/01/548330901.db2.gz	RVYNIKZZXDQZQV-SUQGKYDKSA-N	1	0	367.449	2.487	10	10		FECERO
COc1cc(O)c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1OC	ZINC000160256798	546023061	/nfs/dbraw/zinc/02/30/61/546023061.db2.gz	GCQPVCJPRNEPOW-LJQANCHMSA-N	1	0	372.465	2.261	10	10		FECERO
CCn1cc(CN2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)CC2)cn1	ZINC000180112020	547053270	/nfs/dbraw/zinc/05/32/70/547053270.db2.gz	SQDLPCLQIDURLD-UHFFFAOYSA-N	1	0	374.485	2.334	10	10		FECERO
C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342064	544530497	/nfs/dbraw/zinc/53/04/97/544530497.db2.gz	KKTDPVNCNLFEHP-WMZOPIPTSA-N	1	0	365.493	2.160	10	10		FECERO
O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(O)c1O	ZINC000193126889	548379779	/nfs/dbraw/zinc/37/97/79/548379779.db2.gz	IQVAENIIKGGHQC-LJQANCHMSA-N	1	0	370.449	2.273	10	10		FECERO
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O	ZINC000705767704	673062653	/nfs/dbraw/zinc/06/26/53/673062653.db2.gz	QGUHQRLNBTZHIR-MKBNYLNASA-N	1	0	354.422	2.410	10	10		FECERO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O	ZINC000705767701	673062872	/nfs/dbraw/zinc/06/28/72/673062872.db2.gz	QGUHQRLNBTZHIR-HWWQOWPSSA-N	1	0	354.422	2.410	10	10		FECERO
Oc1ccc2ccccc2c1C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000152598653	544672960	/nfs/dbraw/zinc/67/29/60/544672960.db2.gz	NTERZRFHYUQRKB-UHFFFAOYSA-N	1	0	360.421	2.305	10	10		FECERO
CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000175648325	546327601	/nfs/dbraw/zinc/32/76/01/546327601.db2.gz	ZBBILFVLFDDPOM-CYBMUJFWSA-N	1	0	352.450	2.259	10	10		FECERO
Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(O)c1O	ZINC000190595324	548329910	/nfs/dbraw/zinc/32/99/10/548329910.db2.gz	PDLALLVZXRMNKO-INIZCTEOSA-N	1	0	355.438	2.395	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000248128423	549409799	/nfs/dbraw/zinc/40/97/99/549409799.db2.gz	OFIFODDIYYKMEN-GHTZIAJQSA-N	1	0	359.514	2.338	10	10		FECERO
C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342127	544530122	/nfs/dbraw/zinc/53/01/22/544530122.db2.gz	KKTDPVNCNLFEHP-AEFFLSMTSA-N	1	0	365.493	2.160	10	10		FECERO
CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	ZINC000180631875	547146278	/nfs/dbraw/zinc/14/62/78/547146278.db2.gz	IUMPWDFSBVCSSA-HOCLYGCPSA-N	1	0	373.476	2.482	10	10		FECERO
CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000181817899	547386284	/nfs/dbraw/zinc/38/62/84/547386284.db2.gz	NBGQLFOFYIJDFU-MJGOQNOKSA-N	1	0	372.513	2.049	10	10		FECERO
CCOCC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1CC	ZINC000160257326	672289770	/nfs/dbraw/zinc/28/97/70/672289770.db2.gz	SUNMDYPLNJGHKJ-INIZCTEOSA-N	1	0	352.475	2.342	10	10		FECERO
COc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O	ZINC000120970941	543687324	/nfs/dbraw/zinc/68/73/24/543687324.db2.gz	OENIIUHUGZYMMQ-AWEZNQCLSA-N	1	0	371.275	2.070	10	10		FECERO
COc1cc(O)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1OC	ZINC000180078452	547048057	/nfs/dbraw/zinc/04/80/57/547048057.db2.gz	MGWVCJDYYGIOGV-UHFFFAOYSA-N	1	0	358.442	2.220	10	10		FECERO
CC[C@H](O)C[NH+]1CCN(Cc2cc(Br)cc(OC)c2O)CC1	ZINC000123487426	671980449	/nfs/dbraw/zinc/98/04/49/671980449.db2.gz	ROMMVTCHAREAIQ-AWEZNQCLSA-N	1	0	373.291	2.052	10	10		FECERO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1CCOC	ZINC000154626274	672219351	/nfs/dbraw/zinc/21/93/51/672219351.db2.gz	KNGFWZRPXLMSPF-AWEZNQCLSA-N	1	0	372.560	2.378	10	10		FECERO
CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	ZINC000702849148	673060890	/nfs/dbraw/zinc/06/08/90/673060890.db2.gz	SCPKXIXERRWLRK-HZPDHXFCSA-N	1	0	350.459	2.272	10	10		FECERO
CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000079982335	542555901	/nfs/dbraw/zinc/55/59/01/542555901.db2.gz	PNLJVYHTXAJNQG-HNNXBMFYSA-N	1	0	366.481	2.192	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152268467	544631648	/nfs/dbraw/zinc/63/16/48/544631648.db2.gz	XNTBZPQOOTYZNC-HXUWFJFHSA-N	1	0	368.481	2.259	10	10		FECERO
O=C1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CN1Cc1ccccc1	ZINC000179061514	546894196	/nfs/dbraw/zinc/89/41/96/546894196.db2.gz	YSFIDUTZZIGYBI-HNNXBMFYSA-N	1	0	354.406	2.259	10	10		FECERO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+]1CCOC	ZINC000154626165	672219293	/nfs/dbraw/zinc/21/92/93/672219293.db2.gz	KNGFWZRPXLMSPF-CQSZACIVSA-N	1	0	372.560	2.378	10	10		FECERO
C[NH+](C)CCOC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000008374250	539485000	/nfs/dbraw/zinc/48/50/00/539485000.db2.gz	MCBJBGXPTSJMHM-FLIBITNWSA-N	1	0	356.494	2.054	10	10		FECERO
CCn1cc(CN2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cn1	ZINC000121645854	543697640	/nfs/dbraw/zinc/69/76/40/543697640.db2.gz	VBIRCFINCOBSOF-UHFFFAOYSA-N	1	0	358.442	2.045	10	10		FECERO
COc1cc(O)c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1OC	ZINC000180095555	547051539	/nfs/dbraw/zinc/05/15/39/547051539.db2.gz	KIIGPXMMHCHHDL-UHFFFAOYSA-N	1	0	374.485	2.202	10	10		FECERO
O=C(c1cn(C[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)nn1)N1CCCC1	ZINC000012079712	539542206	/nfs/dbraw/zinc/54/22/06/539542206.db2.gz	VTXNHVKCVUFUOS-MRXNPFEDSA-N	1	0	369.469	2.132	10	10		FECERO
CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCN4C)C2)n1	ZINC000328630593	553799630	/nfs/dbraw/zinc/79/96/30/553799630.db2.gz	JOVYRNOBTRILDH-KRWDZBQOSA-N	1	0	353.470	2.072	10	10		FECERO
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000121556170	671952152	/nfs/dbraw/zinc/95/21/52/671952152.db2.gz	IEMBKQAMFCSDSP-CYBMUJFWSA-N	1	0	353.419	2.159	10	10		FECERO
CCOc1cccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1O	ZINC000121445526	543694882	/nfs/dbraw/zinc/69/48/82/543694882.db2.gz	XNAXOGAXSNLWEH-UHFFFAOYSA-N	1	0	358.486	2.459	10	10		FECERO
Cc1nc(C[C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406649	546207355	/nfs/dbraw/zinc/20/73/55/546207355.db2.gz	NSQLFJXTUKRUSE-QGZVFWFLSA-N	1	0	371.485	2.015	10	10		FECERO
C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000123302135	543754124	/nfs/dbraw/zinc/75/41/24/543754124.db2.gz	NNTDUCOCYRIAOG-JKSUJKDBSA-N	1	0	351.466	2.034	10	10		FECERO
CN(c1cccnn1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000093272542	542922697	/nfs/dbraw/zinc/92/26/97/542922697.db2.gz	UVKKJQXSOSJERW-UHFFFAOYSA-N	1	0	367.497	2.414	10	10		FECERO
CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)CC1	ZINC000117047856	543621684	/nfs/dbraw/zinc/62/16/84/543621684.db2.gz	GDPKCKNGXDZDNQ-FQEVSTJZSA-N	1	0	374.529	2.395	10	10		FECERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	ZINC000132411493	544230083	/nfs/dbraw/zinc/23/00/83/544230083.db2.gz	CIMCPRVGQJMAOL-XLIONFOSSA-N	1	0	374.529	2.393	10	10		FECERO
C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000120202947	543677198	/nfs/dbraw/zinc/67/71/98/543677198.db2.gz	XYLJJPFEENKLIE-HXUWFJFHSA-N	1	0	367.497	2.414	10	10		FECERO
COc1cc(O)c(CN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261794	546023080	/nfs/dbraw/zinc/02/30/80/546023080.db2.gz	GRYYOVVNYSLSGF-INIZCTEOSA-N	1	0	361.442	2.124	10	10		FECERO
Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316798	546774763	/nfs/dbraw/zinc/77/47/63/546774763.db2.gz	XIPIBKWFZPNZHA-FQEVSTJZSA-N	1	0	369.513	2.381	10	10		FECERO
CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	ZINC000180631895	547145775	/nfs/dbraw/zinc/14/57/75/547145775.db2.gz	IUMPWDFSBVCSSA-GDBMZVCRSA-N	1	0	373.476	2.482	10	10		FECERO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000248128429	549409671	/nfs/dbraw/zinc/40/96/71/549409671.db2.gz	OFIFODDIYYKMEN-RXVVDRJESA-N	1	0	359.514	2.338	10	10		FECERO
COc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1O	ZINC000120583196	671929342	/nfs/dbraw/zinc/92/93/42/671929342.db2.gz	TXUWSAPPSDFVOX-VXGBXAGGSA-N	1	0	373.291	2.050	10	10		FECERO
COc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1O	ZINC000245779054	672824629	/nfs/dbraw/zinc/82/46/29/672824629.db2.gz	TXUWSAPPSDFVOX-RYUDHWBXSA-N	1	0	373.291	2.050	10	10		FECERO
CCc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O	ZINC000702849149	673060950	/nfs/dbraw/zinc/06/09/50/673060950.db2.gz	SCPKXIXERRWLRK-JKSUJKDBSA-N	1	0	350.459	2.272	10	10		FECERO
CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326034	/nfs/dbraw/zinc/32/60/34/548326034.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	1	0	355.438	2.470	10	10		FECERO
CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000184864836	547889047	/nfs/dbraw/zinc/88/90/47/547889047.db2.gz	DJYCGCYMMQRXBD-MJGOQNOKSA-N	1	0	374.529	2.273	10	10		FECERO
O=C(c1cn(C[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)nn1)N1CCCC1	ZINC000012079713	539541600	/nfs/dbraw/zinc/54/16/00/539541600.db2.gz	VTXNHVKCVUFUOS-INIZCTEOSA-N	1	0	369.469	2.132	10	10		FECERO
COc1ccc([N+]2=C3SCCN3[C@](O)(c3ccc(OC)cc3)C2)cc1	ZINC000022405040	539695269	/nfs/dbraw/zinc/69/52/69/539695269.db2.gz	FZTZLYTUPYHILM-LJQANCHMSA-N	1	0	357.455	2.484	10	10		FECERO
CCC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](C)C	ZINC000156624231	545640545	/nfs/dbraw/zinc/64/05/45/545640545.db2.gz	LUKWNIJXAVNEAZ-SFHVURJKSA-N	1	0	351.466	2.133	10	10		FECERO
Cc1cc(O)c(C[NH+]2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1C	ZINC000093273274	542922943	/nfs/dbraw/zinc/92/29/43/542922943.db2.gz	WEUVQMSJZZPNMI-UHFFFAOYSA-N	1	0	366.469	2.316	10	10		FECERO
COc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1OC	ZINC000121556842	543696484	/nfs/dbraw/zinc/69/64/84/543696484.db2.gz	YVVXMPSOURBHLQ-ZDUSSCGKSA-N	1	0	367.446	2.141	10	10		FECERO
COCC[N@@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C	ZINC000120787831	671935434	/nfs/dbraw/zinc/93/54/34/671935434.db2.gz	PAGNLVJKFMSNEI-LBPRGKRZSA-N	1	0	373.291	2.316	10	10		FECERO
O=C1C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CN1Cc1ccccc1	ZINC000179061525	546893937	/nfs/dbraw/zinc/89/39/37/546893937.db2.gz	YSFIDUTZZIGYBI-OAHLLOKOSA-N	1	0	354.406	2.259	10	10		FECERO
COc1cc(O)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1OC	ZINC000180079097	547047671	/nfs/dbraw/zinc/04/76/71/547047671.db2.gz	ASBGOOCRYSCVQV-HNNXBMFYSA-N	1	0	358.442	2.300	10	10		FECERO
COc1cc(Cl)cc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1O	ZINC000184670564	547863940	/nfs/dbraw/zinc/86/39/40/547863940.db2.gz	DDWOIGOJUAZIOD-UHFFFAOYSA-N	1	0	366.849	2.454	10	10		FECERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@H]3C)cc2F)CC1	ZINC000191430180	548345561	/nfs/dbraw/zinc/34/55/61/548345561.db2.gz	KZTQOGALJWUGNJ-RDJZCZTQSA-N	1	0	363.477	2.399	10	10		FECERO
COc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C	ZINC000702849176	673060965	/nfs/dbraw/zinc/06/09/65/673060965.db2.gz	SUXXTWVURMCDJS-JKSUJKDBSA-N	1	0	350.459	2.321	10	10		FECERO
CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2	ZINC000180631857	547145642	/nfs/dbraw/zinc/14/56/42/547145642.db2.gz	IUMPWDFSBVCSSA-GOEBONIOSA-N	1	0	373.476	2.482	10	10		FECERO
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1	ZINC000702817522	673060300	/nfs/dbraw/zinc/06/03/00/673060300.db2.gz	GIMCJNBNJQIENN-WFASDCNBSA-N	1	0	356.850	2.363	10	10		FECERO
CCOc1ccc(O)c(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1	ZINC000121462785	543694898	/nfs/dbraw/zinc/69/48/98/543694898.db2.gz	YPUICUTVJFZPEB-UHFFFAOYSA-N	1	0	358.486	2.459	10	10		FECERO
C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N1CCOCC1	ZINC000123302303	543754327	/nfs/dbraw/zinc/75/43/27/543754327.db2.gz	NNTDUCOCYRIAOG-HZPDHXFCSA-N	1	0	351.466	2.034	10	10		FECERO
C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000120203105	543677076	/nfs/dbraw/zinc/67/70/76/543677076.db2.gz	XYLJJPFEENKLIE-FQEVSTJZSA-N	1	0	367.497	2.414	10	10		FECERO
C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342248	544530198	/nfs/dbraw/zinc/53/01/98/544530198.db2.gz	KKTDPVNCNLFEHP-SJLPKXTDSA-N	1	0	365.493	2.160	10	10		FECERO
O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(O)c1O	ZINC000193126904	548379887	/nfs/dbraw/zinc/37/98/87/548379887.db2.gz	IQVAENIIKGGHQC-IBGZPJMESA-N	1	0	370.449	2.273	10	10		FECERO
Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000328637790	553799940	/nfs/dbraw/zinc/79/99/40/553799940.db2.gz	OVFQUYKDZOPFKW-OALUTQOASA-N	1	0	356.470	2.267	10	10		FECERO
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120677099	671932494	/nfs/dbraw/zinc/93/24/94/671932494.db2.gz	YIJXORRZPWBCGR-IUODEOHRSA-N	1	0	357.292	2.432	10	10		FECERO