smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c2c3c(cccc3cc1[O-])-c1ccccc1-2	ZINC000040738262	174390195	/nfs/dbraw/zinc/39/01/95/174390195.db2.gz	DMVIFNRBBXPCJJ-UHFFFAOYSA-N	-1	0	263.252	4.101	10	5		CIBERM
O=C([O-])c1cc(-c2ccco2)nc2ccc3ccccc3c21	ZINC000003151253	169860422	/nfs/dbraw/zinc/86/04/22/169860422.db2.gz	SPYPEMDTMTUVND-UHFFFAOYSA-N	-1	0	289.290	4.346	10	5		CIBERM
O=C([O-])c1ccc([N+](=O)[O-])cc1-c1cccc2ccccc21	ZINC000078419201	177339948	/nfs/dbraw/zinc/33/99/48/177339948.db2.gz	WRDIZLRYLLRKEM-UHFFFAOYSA-N	-1	0	293.278	4.113	10	5		CIBERM
CC[C@@H](C)[N+]([O-])([O-])c1ccc(Nc2ccccc2)cc1	ZINC000205578653	717159958	/nfs/dbraw/zinc/15/99/58/717159958.db2.gz	GBEIAAXTARZKHI-CYBMUJFWSA-N	-1	0	272.348	4.423	10	5		CIBERM
O=C([O-])c1ccc([N+](=O)[O-])cc1-c1ccc2ccccc2c1	ZINC000095495223	184999020	/nfs/dbraw/zinc/99/90/20/184999020.db2.gz	GUOFNQWEHPARRS-UHFFFAOYSA-N	-1	0	293.278	4.113	10	5		CIBERM
CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC000095495241	184999055	/nfs/dbraw/zinc/99/90/55/184999055.db2.gz	BHIZSTCNASGXOK-UHFFFAOYSA-N	-1	0	299.326	4.258	10	5		CIBERM
CC[C@H](C)[N+]([O-])([O-])c1ccc(Nc2ccccc2)cc1	ZINC000205578667	717159834	/nfs/dbraw/zinc/15/98/34/717159834.db2.gz	GBEIAAXTARZKHI-ZDUSSCGKSA-N	-1	0	272.348	4.423	10	5		CIBERM
O=C([O-])c1ccc(-c2cccc3ccccc32)cc1[N+](=O)[O-]	ZINC000095495285	184998992	/nfs/dbraw/zinc/99/89/92/184998992.db2.gz	MBYAMNBZVIEZCA-UHFFFAOYSA-N	-1	0	293.278	4.113	10	5		CIBERM
O=C([O-])c1cccc2ccc3c4ccccc4[nH]c3c21	ZINC000005518065	170107110	/nfs/dbraw/zinc/10/71/10/170107110.db2.gz	HWFUOXYUSCPVDD-UHFFFAOYSA-N	-1	0	261.280	4.173	10	5		CIBERM