smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966393	555872174	/nfs/dbraw/zinc/87/21/74/555872174.db2.gz	HZGNRSOVTPSLMD-MUUNZHRXSA-N	2	1	464.629	4.832	10	0		JJAEMP
COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966397	555872135	/nfs/dbraw/zinc/87/21/35/555872135.db2.gz	HZGNRSOVTPSLMD-NDEPHWFRSA-N	2	1	464.629	4.832	10	0		JJAEMP
COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c(F)c1	ZINC000012279915	524024549	/nfs/dbraw/zinc/02/45/49/524024549.db2.gz	XJRFGJKQTAWLBW-NDEPHWFRSA-N	2	1	482.619	4.971	10	0		JJAEMP
COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c(F)c1	ZINC000012279914	524024924	/nfs/dbraw/zinc/02/49/24/524024924.db2.gz	XJRFGJKQTAWLBW-MUUNZHRXSA-N	2	1	482.619	4.971	10	0		JJAEMP
COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996329	524024658	/nfs/dbraw/zinc/02/46/58/524024658.db2.gz	JIMSZZJNHBAQPW-AREMUKBSSA-N	2	1	480.628	4.537	10	0		JJAEMP
COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000014881571	526072595	/nfs/dbraw/zinc/07/25/95/526072595.db2.gz	OMAXTDUIRYVEJH-MHZLTWQESA-N	2	1	473.617	4.774	10	0		JJAEMP
Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(C2CC[NH+](Cc3ccc(F)cc3F)CC2)n1	ZINC000096247515	130002646	/nfs/dbraw/zinc/00/26/46/130002646.db2.gz	QSAVUFGEWVJOHI-UHFFFAOYSA-N	2	1	482.619	4.748	10	0		JJAEMP
COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996331	524024751	/nfs/dbraw/zinc/02/47/51/524024751.db2.gz	JIMSZZJNHBAQPW-SANMLTNESA-N	2	1	480.628	4.537	10	0		JJAEMP
CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000013732941	555604845	/nfs/dbraw/zinc/60/48/45/555604845.db2.gz	UBUFIVXKWUOXPJ-UHFFFAOYSA-N	2	1	461.817	4.686	10	0		JJAEMP
CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000004213094	194384812	/nfs/dbraw/zinc/38/48/12/194384812.db2.gz	AUVVAXYIELKVAI-YMLRZMTOSA-N	2	1	480.649	4.943	10	0	in-vitro	JJAEMP
Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000014882076	527691477	/nfs/dbraw/zinc/69/14/77/527691477.db2.gz	VYAOJBLUJVCPML-MHZLTWQESA-N	2	1	452.593	4.962	10	0		JJAEMP
Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000014882077	527692074	/nfs/dbraw/zinc/69/20/74/527692074.db2.gz	VYAOJBLUJVCPML-HHHXNRCGSA-N	2	1	452.593	4.962	10	0		JJAEMP
COc1cccc(C[C@H](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000014881572	526078086	/nfs/dbraw/zinc/07/80/86/526078086.db2.gz	OMAXTDUIRYVEJH-HHHXNRCGSA-N	2	1	473.617	4.774	10	0		JJAEMP