smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000704	1068494486	/nfs/dbraw/zinc/49/44/86/1068494486.db2.gz	AGOOOGRGCXEQAG-BHLOXJKNSA-N	-1	1	498.543	-0.782	20	5		JBBDMM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000705	1068494737	/nfs/dbraw/zinc/49/47/37/1068494737.db2.gz	AGOOOGRGCXEQAG-NXLFSVNTSA-N	-1	1	498.543	-0.782	20	5		JBBDMM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000706	1068494662	/nfs/dbraw/zinc/49/46/62/1068494662.db2.gz	AGOOOGRGCXEQAG-VUWLMQEHSA-N	-1	1	498.543	-0.782	20	5		JBBDMM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000707	1068494290	/nfs/dbraw/zinc/49/42/90/1068494290.db2.gz	AGOOOGRGCXEQAG-YZVYYRORSA-N	-1	1	498.543	-0.782	20	5		JBBDMM