smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1OCC(=O)[O-]	ZINC000409338695	528625807	/nfs/dbraw/zinc/62/58/07/528625807.db2.gz	ONIZHQJHCFEWTP-VOTSOKGWSA-N	-3	3	377.309	1.829	40	5		GDBBHL
O=c1nc(C=Cc2ccc(I)o2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006495528	530541426	/nfs/dbraw/zinc/54/14/26/530541426.db2.gz	JZQOAOFICFWJSH-HNQUOIGGSA-N	-2	3	375.078	1.339	40	5		GDBBHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c([O-])c([N+](=O)[O-])c1	ZINC000409179787	533563955	/nfs/dbraw/zinc/56/39/55/533563955.db2.gz	NRHRRYNEEHUREM-UHFFFAOYSA-N	-3	3	375.341	1.963	40	5		GDBBHL
O=c1nc(C=Cc2ccc(I)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006494631	530541313	/nfs/dbraw/zinc/54/13/13/530541313.db2.gz	GDNKOHLGTFMPTG-ZZXKWVIFSA-N	-2	3	385.117	1.746	40	5		GDBBHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)cc1[O-]	ZINC000006441137	530541550	/nfs/dbraw/zinc/54/15/50/530541550.db2.gz	HLVXECTXVZYQDY-NSCUHMNNSA-N	-2	3	384.142	1.619	40	5		GDBBHL
O=c1nc(C=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000107730858	530854688	/nfs/dbraw/zinc/85/46/88/530854688.db2.gz	BCMXQQGPOPQGQL-OWOJBTEDSA-N	-3	3	399.113	1.518	40	5		GDBBHL