smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=Cc2cc(C=C3C(=O)[N-]C(=O)NC3=O)c([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000004265921	555980375	/nfs/dbraw/zinc/98/03/75/555980375.db2.gz	XLWADCHNDJCFIP-UHFFFAOYSA-N	-2	3	444.272	0.682	40	10		ICCBHL
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349038	291316745	/nfs/dbraw/zinc/31/67/45/291316745.db2.gz	IKIIZLYTISPENI-TWHPPBISSA-N	-2	3	446.364	0.142	40	10	biogenic,in-vitro	ICCBHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349042	556408372	/nfs/dbraw/zinc/40/83/72/556408372.db2.gz	IKIIZLYTISPENI-KYHREEPGSA-N	-2	3	446.364	0.142	40	10		ICCBHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000013424717	569316093	/nfs/dbraw/zinc/31/60/93/569316093.db2.gz	IKIIZLYTISPENI-QFCZJPRCSA-N	-2	3	446.364	0.142	40	10		ICCBHL
CN1C(=O)C(=Cc2c([O-])n(-c3ccc(Cl)cc3)c(=S)[n-]c2=O)C(=O)N(C)C1=S	ZINC000103855863	557140361	/nfs/dbraw/zinc/14/03/61/557140361.db2.gz	IDOCEYLHMZVZPI-SNVBAGLBSA-N	-2	3	436.902	0.846	40	10		ICCBHL
CN1C(=O)C(=Cc2c([O-])n(-c3ccc(Cl)cc3)c(=S)[n-]c2=O)C(=O)N(C)C1=S	ZINC000103855867	557140422	/nfs/dbraw/zinc/14/04/22/557140422.db2.gz	IDOCEYLHMZVZPI-JTQLQIEISA-N	-2	3	436.902	0.846	40	10		ICCBHL
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000521840097	569292559	/nfs/dbraw/zinc/29/25/59/569292559.db2.gz	IKIIZLYTISPENI-WVXKDWSHSA-N	-2	3	446.364	0.142	40	10		ICCBHL