smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C=C/C=C/c1cc2cc3c(c([O-])c2c(=O)[nH]1)[C@@]1(CC3)C(=O)c2c(c(O)c3c(c2[O-])C(=O)C(OC)=CC3=O)C1=O	ZINC000005386223	561695808	/nfs/dbraw/zinc/69/58/08/561695808.db2.gz	BZONSJUONOFNNP-ABUMUNDQSA-N	-2	3	539.496	3.407	10	30		KGEEHL
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C(\C)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1	ZINC000020159638	553600228	/nfs/dbraw/zinc/60/02/28/553600228.db2.gz	AGMBLDROBTUITG-AXVUACOQSA-N	-2	3	503.577	3.236	10	30		KGEEHL
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C(\C)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1	ZINC000020159641	553600292	/nfs/dbraw/zinc/60/02/92/553600292.db2.gz	AGMBLDROBTUITG-BLXYJZHJSA-N	-2	3	503.577	3.236	10	30		KGEEHL
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C(\C)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)c1	ZINC000020159643	553600258	/nfs/dbraw/zinc/60/02/58/553600258.db2.gz	AGMBLDROBTUITG-NXFJEDKMSA-N	-2	3	503.577	3.236	10	30		KGEEHL
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C(\C)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)c1	ZINC000020159646	553600340	/nfs/dbraw/zinc/60/03/40/553600340.db2.gz	AGMBLDROBTUITG-RQKPPVNGSA-N	-2	3	503.577	3.236	10	30		KGEEHL