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](N[C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000704	1068494502	/nfs/dbraw/zinc/49/45/02/1068494502.db2.gz	AGOOOGRGCXEQAG-BHLOXJKNSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000704	1068494496	/nfs/dbraw/zinc/49/44/96/1068494496.db2.gz	AGOOOGRGCXEQAG-BHLOXJKNSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000705	1068494744	/nfs/dbraw/zinc/49/47/44/1068494744.db2.gz	AGOOOGRGCXEQAG-NXLFSVNTSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000705	1068494741	/nfs/dbraw/zinc/49/47/41/1068494741.db2.gz	AGOOOGRGCXEQAG-NXLFSVNTSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000706	1068494670	/nfs/dbraw/zinc/49/46/70/1068494670.db2.gz	AGOOOGRGCXEQAG-VUWLMQEHSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000706	1068494666	/nfs/dbraw/zinc/49/46/66/1068494666.db2.gz	AGOOOGRGCXEQAG-VUWLMQEHSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000707	1068494311	/nfs/dbraw/zinc/49/43/11/1068494311.db2.gz	AGOOOGRGCXEQAG-YZVYYRORSA-N	-2	3	498.543	-0.782	20	5		JBBDHL
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@H]2SC1	ZINC001169000707	1068494303	/nfs/dbraw/zinc/49/43/03/1068494303.db2.gz	AGOOOGRGCXEQAG-YZVYYRORSA-N	-2	3	498.543	-0.782	20	5		JBBDHL