smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)c1nn[nH]n1	ZINC000096915868	185129104	/nfs/dbraw/zinc/12/91/04/185129104.db2.gz	SXVANQQHEQZUCM-UHFFFAOYSA-N	-1	1	261.197	0.564	1	5		CCBFMM
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([O-])c1=O	ZINC000013759242	581101772	/nfs/dbraw/zinc/10/17/72/581101772.db2.gz	NVLCJYYASKEWFF-UHFFFAOYSA-N	-1	1	289.207	0.021	1	5		CCBFMM
O=[N+]([O-])c1cc2c(cc1[C@@H](O)[P@](=O)([O-])O)OCO2	ZINC000013558966	581101642	/nfs/dbraw/zinc/10/16/42/581101642.db2.gz	KCNUZNVDWIKYDW-QMMMGPOBSA-N	-1	1	277.125	0.492	1	5		CCBFMM
O=[N+]([O-])c1cc2c(cc1[C@H](O)[P@](=O)([O-])O)OCO2	ZINC000013558965	581101679	/nfs/dbraw/zinc/10/16/79/581101679.db2.gz	KCNUZNVDWIKYDW-MRVPVSSYSA-N	-1	1	277.125	0.492	1	5		CCBFMM
O=c1[n-]c(=O)c(Cl)c(Cn2cnc([N+](=O)[O-])c2)[nH]1	ZINC000013607778	170568724	/nfs/dbraw/zinc/56/87/24/170568724.db2.gz	SGTJZAHLXLCQGW-UHFFFAOYSA-N	-1	1	271.620	0.694	1	5		CCBFMM