smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000006892264	531535110	/nfs/dbraw/zinc/53/51/10/531535110.db2.gz	YOXYVBKFFGVLDM-ONEGZZNKSA-N	-2	3	398.169	2.009	40	5		GEBBHL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000035062397	570223312	/nfs/dbraw/zinc/22/33/12/570223312.db2.gz	JEWFYMJJYIFAGK-ARJAWSKDSA-N	-2	3	398.169	2.421	40	5		GEBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[n-]1	ZINC000408631947	528756795	/nfs/dbraw/zinc/75/67/95/528756795.db2.gz	NODMOTJEYBIIJZ-YHYXMXQVSA-N	-3	3	395.353	2.497	40	5		GEBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[n-]1	ZINC000408631355	529744393	/nfs/dbraw/zinc/74/43/93/529744393.db2.gz	HXYLUFCMDVYIBV-WTKPLQERSA-N	-3	3	381.326	2.107	40	5		GEBBHL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)cc1[O-]	ZINC000006354847	531526829	/nfs/dbraw/zinc/52/68/29/531526829.db2.gz	OFNIJUDEXUIFBN-ONEGZZNKSA-N	-2	3	398.169	2.009	40	5		GEBBHL
O=c1nc(C=Cc2c[nH]c3ccc(Br)cc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006495545	531526643	/nfs/dbraw/zinc/52/66/43/531526643.db2.gz	YYJXJENOPRTDCZ-HNQUOIGGSA-N	-2	3	377.154	2.386	40	5		GEBBHL
O=c1c([N+](=O)[O-])c(C=Cc2ccc([O-])c(Br)c2)[n-]c2ncnn21	ZINC000016384236	210189802	/nfs/dbraw/zinc/18/98/02/210189802.db2.gz	NAFVQGNYCZFTJZ-HNQUOIGGSA-N	-2	3	378.142	2.377	40	5		GEBBHL
COc1cc(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000006380657	531525044	/nfs/dbraw/zinc/52/50/44/531525044.db2.gz	POYOLFYNKSNCIS-NSCUHMNNSA-N	-2	3	384.142	2.443	40	5		GEBBHL
O=c1nc(C=Cc2cc(Br)cc(Cl)c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000006505209	531525154	/nfs/dbraw/zinc/52/51/54/531525154.db2.gz	QCFDNTDDWSEZAK-OWOJBTEDSA-N	-3	3	388.561	2.263	40	5		GEBBHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1[N+](=O)[O-]	ZINC000004474861	570796943	/nfs/dbraw/zinc/79/69/43/570796943.db2.gz	GNTIUIBXLZBXSZ-UHFFFAOYSA-N	-2	3	398.400	2.063	40	5		GEBBHL