smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000256009524	190001577	/nfs/dbraw/zinc/00/15/77/190001577.db2.gz	WQRZBPGAKFJRGU-VIFPVBQESA-N	-1	2	261.241	0.925	10	10		CCCELM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395997	281702756	/nfs/dbraw/zinc/70/27/56/281702756.db2.gz	WQRZBPGAKFJRGU-ASLCJXLESA-N	-1	2	261.241	0.925	10	10		CCCELM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395993	389071375	/nfs/dbraw/zinc/07/13/75/389071375.db2.gz	WQRZBPGAKFJRGU-IRUFBXEESA-N	-1	2	261.241	0.925	10	10		CCCELM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395988	389071418	/nfs/dbraw/zinc/07/14/18/389071418.db2.gz	WQRZBPGAKFJRGU-FZPGPQOYSA-N	-1	2	261.241	0.925	10	10		CCCELM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000256009523	190001780	/nfs/dbraw/zinc/00/17/80/190001780.db2.gz	WQRZBPGAKFJRGU-SECBINFHSA-N	-1	2	261.241	0.925	10	10		CCCELM
Cc1[nH][nH]c(=O)c1N=Nc1ccc(N)cc1C(=O)[O-]	ZINC000100395991	389071435	/nfs/dbraw/zinc/07/14/35/389071435.db2.gz	WQRZBPGAKFJRGU-SOLLPLKKSA-N	-1	2	261.241	0.925	10	10		CCCELM
O=C(c1cccc(O)c1O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000126404470	260351605	/nfs/dbraw/zinc/35/16/05/260351605.db2.gz	JZLBEGSBKMZTBL-LLVKDONJSA-N	-1	2	292.335	0.645	10	10		CCCELM
O=C(c1cccc(O)c1O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000126404276	260351617	/nfs/dbraw/zinc/35/16/17/260351617.db2.gz	JZLBEGSBKMZTBL-NSHDSACASA-N	-1	2	292.335	0.645	10	10		CCCELM
O=C([O-])[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	ZINC000004632611	304175076	/nfs/dbraw/zinc/17/50/76/304175076.db2.gz	JFJWMFPFMLRLMI-VKHMYHEASA-N	-1	2	292.199	0.664	10	10	biogenic,in-vitro	CCCELM