smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([O-])c(C(=O)C(c2ccccc2)(c2ccccc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	ZINC000001277666	551636026	/nfs/dbraw/zinc/63/60/26/551636026.db2.gz	AOOJDMAGYVPLMX-UHFFFAOYSA-N	-1	2	504.499	0.625	50	0		KCAALM
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008969273	553195026	/nfs/dbraw/zinc/19/50/26/553195026.db2.gz	PXYLVNZTHJYNSY-JVPBZIDWSA-N	-1	2	509.519	0.226	50	0	biogenic	KCAALM
O=C([O-])c1cccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c(=O)[nH]c(=O)[nH]c3O)nc2O)c1	ZINC000101290693	554708000	/nfs/dbraw/zinc/70/80/00/554708000.db2.gz	REBVPQQONDEBJE-YOEHRIQHSA-N	-1	2	525.499	0.878	50	0		KCAALM
O=C([O-])c1cccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c(=O)[nH]c(=O)[nH]c3O)nc2O)c1	ZINC000101290704	554708056	/nfs/dbraw/zinc/70/80/56/554708056.db2.gz	REBVPQQONDEBJE-WMLDXEAASA-N	-1	2	525.499	0.878	50	0		KCAALM
COc1cc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O	ZINC000101291108	554708338	/nfs/dbraw/zinc/70/83/38/554708338.db2.gz	CWAHMAWZJYIHRF-YJBOKZPZSA-N	-1	2	555.525	0.887	50	0		KCAALM
COc1cc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c2c(O)[nH]c(=O)[nH]c2=O)ccc1O	ZINC000101291116	554708282	/nfs/dbraw/zinc/70/82/82/554708282.db2.gz	CWAHMAWZJYIHRF-QAPCUYQASA-N	-1	2	555.525	0.887	50	0		KCAALM
O=C([O-])c1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c(=O)[nH]c(=O)[nH]c3O)nc2O)cc1	ZINC000101291121	554708221	/nfs/dbraw/zinc/70/82/21/554708221.db2.gz	HLUVQZATEXYURN-YOEHRIQHSA-N	-1	2	525.499	0.878	50	0		KCAALM
O=C([O-])c1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c(=O)[nH]c(=O)[nH]c3O)nc2O)cc1	ZINC000101291123	554708215	/nfs/dbraw/zinc/70/82/15/554708215.db2.gz	HLUVQZATEXYURN-WMLDXEAASA-N	-1	2	525.499	0.878	50	0		KCAALM