smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH]c3nc(=O)[n-]c(=O)c-3cc2c1	ZINC000103201614	175229868	/nfs/dbraw/zinc/22/98/68/175229868.db2.gz	XKWYSCUOLYNIIZ-UHFFFAOYSA-N	-1	0	243.222	0.773	1	5		BCBFRM
O=C([O-])[C@H](O)CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000026738073	182011580	/nfs/dbraw/zinc/01/15/80/182011580.db2.gz	MFKHAHSCNOLEFR-SECBINFHSA-N	-1	0	239.183	0.613	1	5		BCBFRM
O=C([O-])c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	ZINC000141174761	187299574	/nfs/dbraw/zinc/29/95/74/187299574.db2.gz	NGGHQIQUJVGJER-UHFFFAOYSA-N	-1	0	235.155	0.530	1	5		BCBFRM
NC(=O)c1[nH]nnc1[N-]c1ccccc1[N+](=O)[O-]	ZINC000034484102	181313173	/nfs/dbraw/zinc/31/31/73/181313173.db2.gz	JQHJVZJDQZMKMT-UHFFFAOYSA-N	-1	0	248.202	0.555	1	5		BCBFRM
COc1cccc2cc3c(=O)[n-]c(=O)nc-3[nH]c21	ZINC000103201616	175307243	/nfs/dbraw/zinc/30/72/43/175307243.db2.gz	DBDWSDKWBWTJFW-UHFFFAOYSA-N	-1	0	243.222	0.773	1	5		BCBFRM
O=[N+]([O-])c1ccc([C@H](O)[P@@](=O)([O-])O)cc1	ZINC000026261086	187255190	/nfs/dbraw/zinc/25/51/90/187255190.db2.gz	VRWVZOORCVEXCS-SSDOTTSWSA-N	-1	0	233.116	0.763	1	5		BCBFRM
O=C([O-])[C@@H](O)CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000026738066	182024198	/nfs/dbraw/zinc/02/41/98/182024198.db2.gz	MFKHAHSCNOLEFR-VIFPVBQESA-N	-1	0	239.183	0.613	1	5		BCBFRM
[O-]c1cccc2c1[n+]([O-])c1ccccc1[n+]2[O-]	ZINC000005664808	187391802	/nfs/dbraw/zinc/39/18/02/187391802.db2.gz	PSKNAVYZFQCMQE-UHFFFAOYSA-N	-1	0	228.207	0.965	1	5		BCBFRM
O=C([O-])Cn1ccc(=O)c2c([N+](=O)[O-])cccc21	ZINC000001626385	182497176	/nfs/dbraw/zinc/49/71/76/182497176.db2.gz	HDYWKCUUOUKTOQ-UHFFFAOYSA-N	-1	0	248.194	0.994	1	5		BCBFRM
O=c1[n-]c(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000006512416	182979932	/nfs/dbraw/zinc/97/99/32/182979932.db2.gz	LSBKXAKAWCNZNU-UHFFFAOYSA-N	-1	0	220.188	0.597	1	5		BCBFRM