smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(CCO)cc2)cn1	ZINC000217976653	568921816	/nfs/dbraw/zinc/92/18/16/568921816.db2.gz	SBPTZYSQSGADIB-UHFFFAOYSA-N	-1	0	424.486	2.443	50	70		HEIARM
COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1OC	ZINC000218374762	568479367	/nfs/dbraw/zinc/47/93/67/568479367.db2.gz	ZVFYCRVZXPHYFO-HNNXBMFYSA-N	-1	0	403.508	2.159	50	70		HEIARM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccsc2-c2nc(C3CC3)no2)cc1	ZINC000217287005	568868662	/nfs/dbraw/zinc/86/86/62/568868662.db2.gz	VZQFHRYKGISNCK-UHFFFAOYSA-N	-1	0	420.472	2.340	50	70		HEIARM
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218113874	568925855	/nfs/dbraw/zinc/92/58/55/568925855.db2.gz	RIRZXGLDKALVIG-CYBMUJFWSA-N	-1	0	406.387	2.291	50	70	biogenic	HEIARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c2ccccc2oc1=O	ZINC000217817561	568913952	/nfs/dbraw/zinc/91/39/52/568913952.db2.gz	QVIMQMHWQJXOTB-AWEZNQCLSA-N	-1	0	408.410	2.384	50	70	biogenic	HEIARM
COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1OC	ZINC000218374841	568479437	/nfs/dbraw/zinc/47/94/37/568479437.db2.gz	ZVFYCRVZXPHYFO-OAHLLOKOSA-N	-1	0	403.508	2.159	50	70		HEIARM
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218113944	568925941	/nfs/dbraw/zinc/92/59/41/568925941.db2.gz	RIRZXGLDKALVIG-ZDUSSCGKSA-N	-1	0	406.387	2.291	50	70	biogenic	HEIARM
CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC000218516282	568481237	/nfs/dbraw/zinc/48/12/37/568481237.db2.gz	NOZBLDRCIXGNFA-KRWDZBQOSA-N	-1	0	410.478	2.173	50	70		HEIARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c2ccccc2oc1=O	ZINC000217817480	568913930	/nfs/dbraw/zinc/91/39/30/568913930.db2.gz	QVIMQMHWQJXOTB-CQSZACIVSA-N	-1	0	408.410	2.384	50	70	biogenic	HEIARM