smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C=C2c3cccc([O-])c3C(=O)c3c([O-])cccc32)cc1	ZINC000027326387	202154201	/nfs/dbraw/zinc/15/42/01/202154201.db2.gz	SLKLLNQYWRTDGS-UHFFFAOYSA-N	-2	3	339.350	4.103	1	30		EIEFHL
CC(=O)c1c(C)cc2cc3c(c([O-])c2c1[O-])C(=O)C(C)C(=O)C3(C)C	ZINC000101164603	219118113	/nfs/dbraw/zinc/11/81/13/219118113.db2.gz	QBGFUEPOOHBTEK-UHFFFAOYSA-N	-2	3	340.375	4.068	1	30	in-vivo	EIEFHL
CC(C)(C)c1ccc(C(=O)C=C([O-])c2ccc(C(=O)[O-])cc2)c([O-])c1	ZINC000100982956	219112981	/nfs/dbraw/zinc/11/29/81/219112981.db2.gz	IFFIXCNNBHBZHC-WQRHYEAKSA-N	-3	3	340.375	4.170	1	30		EIEFHL
C=CC(C)(C)c1c([O-])cc([O-])c2c1occ(-c1ccc(O)cc1)c2=O	ZINC000015121041	291004901	/nfs/dbraw/zinc/00/49/01/291004901.db2.gz	PONIGBFVAFAGSR-UHFFFAOYSA-N	-2	3	338.359	4.040	1	30	biogenic,in-vitro	EIEFHL
CC(C)(C)c1ccc([O-])c(C(=O)C=C([O-])c2ccc(C(=O)[O-])cc2)c1	ZINC000102256253	219191874	/nfs/dbraw/zinc/19/18/74/219191874.db2.gz	YKTBCPCLYMMTTQ-WQRHYEAKSA-N	-3	3	340.375	4.170	1	30		EIEFHL
O=C([O-])c1cc(Cl)cc(C(=O)/C=C/c2ccc(Cl)cc2)c1[O-]	ZINC000066097316	215009876	/nfs/dbraw/zinc/00/98/76/215009876.db2.gz	LJJSWOXJGYNAPV-ZZXKWVIFSA-N	-2	3	337.158	4.293	1	30		EIEFHL
C=CC(C)(C)c1c([O-])cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc21	ZINC000072179138	216066628	/nfs/dbraw/zinc/06/66/28/216066628.db2.gz	VICNEMYTLCWXQS-UHFFFAOYSA-N	-2	3	338.359	4.040	1	30		EIEFHL
O=C(/C=C/c1ccc(Cl)cc1Cl)c1c([O-])cc(O)cc1[O-]	ZINC000103204460	219269795	/nfs/dbraw/zinc/26/97/95/219269795.db2.gz	NPJVONYXVQPNJA-DUXPYHPUSA-N	-2	3	325.147	4.006	1	30		EIEFHL