smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896276	721510143	/nfs/dbraw/zinc/51/01/43/721510143.db2.gz	AJSBAUILTBVNBP-UYAOXDASSA-N	2	1	407.493	2.470	20	30		HEEDMP
S=C(NCCC[NH+]1CCOCC1)NN=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000768350891	1080507769	/nfs/dbraw/zinc/50/77/69/1080507769.db2.gz	BDMSENYWBWESRW-OYRHEFFESA-N	2	1	415.607	2.356	20	30		HEEDMP
S=C(NCCC[NH+]1CCOCC1)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000768350891	1080507780	/nfs/dbraw/zinc/50/77/80/1080507780.db2.gz	BDMSENYWBWESRW-OYRHEFFESA-N	2	1	415.607	2.356	20	30		HEEDMP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H]2CCCO[C@@H]12	ZINC001164794298	721526125	/nfs/dbraw/zinc/52/61/25/721526125.db2.gz	BHPVEZVPWIQKEI-YTFSRNRJSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H]2CCCO[C@@H]12	ZINC001164794298	721526127	/nfs/dbraw/zinc/52/61/27/721526127.db2.gz	BHPVEZVPWIQKEI-YTFSRNRJSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H]2CCCO[C@H]12	ZINC001164794299	721525696	/nfs/dbraw/zinc/52/56/96/721525696.db2.gz	BHPVEZVPWIQKEI-ZLNRFVROSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H]2CCCO[C@H]12	ZINC001164794299	721525702	/nfs/dbraw/zinc/52/57/02/721525702.db2.gz	BHPVEZVPWIQKEI-ZLNRFVROSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H]2CCCO[C@@H]12	ZINC001164794296	721525793	/nfs/dbraw/zinc/52/57/93/721525793.db2.gz	BHPVEZVPWIQKEI-DNVJHFABSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H]2CCCO[C@@H]12	ZINC001164794296	721525798	/nfs/dbraw/zinc/52/57/98/721525798.db2.gz	BHPVEZVPWIQKEI-DNVJHFABSA-N	2	1	418.545	2.252	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979323	722100086	/nfs/dbraw/zinc/10/00/86/722100086.db2.gz	IAGPTFDRYAUZOO-CVDCTZTESA-N	2	1	418.545	2.111	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C[NH2+]CCC2	ZINC001164896275	721509905	/nfs/dbraw/zinc/50/99/05/721509905.db2.gz	AJSBAUILTBVNBP-QUCCMNQESA-N	2	1	407.493	2.470	20	30		HEEDMP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H]2CCCO[C@H]12	ZINC001164794301	721526779	/nfs/dbraw/zinc/52/67/79/721526779.db2.gz	BHPVEZVPWIQKEI-ZRBLBEILSA-N	2	1	418.545	2.252	20	30		HEEDMP
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)[C@H]2CCCO[C@H]12	ZINC001164794301	721526783	/nfs/dbraw/zinc/52/67/83/721526783.db2.gz	BHPVEZVPWIQKEI-ZRBLBEILSA-N	2	1	418.545	2.252	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979321	722100288	/nfs/dbraw/zinc/10/02/88/722100288.db2.gz	IAGPTFDRYAUZOO-AUSIDOKSSA-N	2	1	418.545	2.111	20	30		HEEDMP
CCOC(=O)c1cc(C#N)c(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164682880	719613950	/nfs/dbraw/zinc/61/39/50/719613950.db2.gz	GGIATCJOCXFRFS-UHFFFAOYSA-N	2	1	416.913	2.455	20	30		HEEDMP
CCOC(=O)c1cc(C#N)c(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164682880	719613959	/nfs/dbraw/zinc/61/39/59/719613959.db2.gz	GGIATCJOCXFRFS-UHFFFAOYSA-N	2	1	416.913	2.455	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)C[NH2+]CCC2	ZINC001164979326	722100386	/nfs/dbraw/zinc/10/03/86/722100386.db2.gz	IAGPTFDRYAUZOO-WMZHIEFXSA-N	2	1	418.545	2.111	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896274	721510235	/nfs/dbraw/zinc/51/02/35/721510235.db2.gz	AJSBAUILTBVNBP-ICSRJNTNSA-N	2	1	407.493	2.470	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)C[NH2+]CCC2	ZINC001164979328	722100154	/nfs/dbraw/zinc/10/01/54/722100154.db2.gz	IAGPTFDRYAUZOO-XXBNENTESA-N	2	1	418.545	2.111	20	30		HEEDMP
N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C[NH2+]CCC2	ZINC001164896273	721510269	/nfs/dbraw/zinc/51/02/69/721510269.db2.gz	AJSBAUILTBVNBP-AZUAARDMSA-N	2	1	407.493	2.470	20	30		HEEDMP