smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/c1cc2c(oc(-c3ccc(O)c(O)c3)c2C(=O)[O-])c(O)c1	ZINC000014692586	494323221	/nfs/dbraw/zinc/32/32/21/494323221.db2.gz	DXGDWGCYKJCUHN-DAFODLJHSA-N	-2	0	356.286	3.013	10	10		FGCERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(C)cc([N+](=O)[O-])c1[O-]	ZINC000100064116	205937638	/nfs/dbraw/zinc/93/76/38/205937638.db2.gz	KWJWDVPQMWEOCJ-AMGRQBIBSA-N	-2	0	353.338	3.484	10	10		FGCERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(C)cc([N+](=O)[O-])c1[O-]	ZINC000100064120	222234023	/nfs/dbraw/zinc/23/40/23/222234023.db2.gz	KWJWDVPQMWEOCJ-MJWGMMHASA-N	-2	0	353.338	3.484	10	10		FGCERL
COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C(=O)[O-]	ZINC000226856804	497086884	/nfs/dbraw/zinc/08/68/84/497086884.db2.gz	MBGDCIXRSAPMNQ-UHFFFAOYSA-N	-3	0	373.386	3.053	10	10		FGCERL
O=C([O-])c1ccc(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)cc1	ZINC000025761809	494775173	/nfs/dbraw/zinc/77/51/73/494775173.db2.gz	FUHHRYSTEFPENO-UHFFFAOYSA-N	-2	0	364.309	3.380	10	10		FGCERL
O=C([O-])c1cc2nc(/C=C/c3ccc(O)c(O)c3)ccc2c(C(=O)[O-])c1	ZINC000003828933	204111281	/nfs/dbraw/zinc/11/12/81/204111281.db2.gz	PAZPRLRICKPVGA-HNQUOIGGSA-N	-2	0	351.314	3.213	10	10		FGCERL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c2ccccc12	ZINC000226857456	206124052	/nfs/dbraw/zinc/12/40/52/206124052.db2.gz	BWRKMNVZRYRJIV-UHFFFAOYSA-N	-3	0	357.387	3.353	10	10		FGCERL
Cc1ccsc1C=C1C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000096860821	700460021	/nfs/dbraw/zinc/46/00/21/700460021.db2.gz	XPWVXQODESGZME-WQLSENKSSA-N	-2	0	372.427	3.426	10	10		FGCERL
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3cccs3)S2)cc(C(=O)[O-])c1	ZINC000039869936	494123801	/nfs/dbraw/zinc/12/38/01/494123801.db2.gz	ZDBIAKSXXAQNLA-KPKJPENVSA-N	-2	0	374.399	3.227	10	10		FGCERL