smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cc3ccccc3)ccc2[O-])[nH]1	ZINC000107836803	543279285	/nfs/dbraw/zinc/27/92/85/543279285.db2.gz	FYFNDZZYCBLZHT-BQYQJAHWSA-N	-2	3	365.345	2.438	40	5		FEBBHL
O=c1nc(C=Cc2cc(Cc3ccccc3)ccc2O)c([N+](=O)[O-])c([O-])[n-]1	ZINC000107836803	543279287	/nfs/dbraw/zinc/27/92/87/543279287.db2.gz	FYFNDZZYCBLZHT-BQYQJAHWSA-N	-2	3	365.345	2.438	40	5		FEBBHL
O=c1nc(C=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006480175	539428210	/nfs/dbraw/zinc/42/82/10/539428210.db2.gz	FUXYEDJENFNIDU-OWOJBTEDSA-N	-2	3	373.108	2.357	40	5		FEBBHL
O=C([O-])c1c(C(=O)[N-]c2nnc(-c3ccncc3)s2)cccc1[N+](=O)[O-]	ZINC000013388217	539586868	/nfs/dbraw/zinc/58/68/68/539586868.db2.gz	NQKLUXIPBFCOKH-UHFFFAOYSA-N	-2	3	371.334	2.459	40	5		FEBBHL
O=c1nc(C=Cc2c(Cl)ccc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006224366	539424252	/nfs/dbraw/zinc/42/42/52/539424252.db2.gz	DCRSNCORIKOEQT-HNQUOIGGSA-N	-2	3	373.108	2.357	40	5		FEBBHL
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1	ZINC000020458630	527548171	/nfs/dbraw/zinc/54/81/71/527548171.db2.gz	OIHUGNNVFQPBPZ-CMDGGOBGSA-N	-2	3	364.335	2.428	40	5		FEBBHL
COc1ccc([C@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1OC	ZINC000095533902	542982518	/nfs/dbraw/zinc/98/25/18/542982518.db2.gz	YBZPYTQYPWKYQX-HNNXBMFYSA-N	-2	3	371.353	2.151	40	5		FEBBHL
O=c1[n-]c(C=Cc2cc(Br)ccc2[O-])nc([O-])c1[N+](=O)[O-]	ZINC000019119077	211201586	/nfs/dbraw/zinc/20/15/86/211201586.db2.gz	BHJYAMDLERHIDN-DAFODLJHSA-N	-3	3	354.116	2.022	40	5		FEBBHL
O=c1[n-]c(C=Cc2ccc([O-])c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409342444	570751151	/nfs/dbraw/zinc/75/11/51/570751151.db2.gz	FBEGJUHSSKHHHS-RQOWECAXSA-N	-3	3	354.116	2.435	40	5		FEBBHL
O=c1[n-]c(C=Cc2ccc(O)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409342444	570751155	/nfs/dbraw/zinc/75/11/55/570751155.db2.gz	FBEGJUHSSKHHHS-RQOWECAXSA-N	-2	3	354.116	2.435	40	5		FEBBHL
CCc1nc(SC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])n[n-]1	ZINC000408630860	558688373	/nfs/dbraw/zinc/68/83/73/558688373.db2.gz	DHCYTSRWLQDVKM-WCIBSUBMSA-N	-2	3	364.339	2.222	40	5		FEBBHL
O=c1nc(C=CC(Br)=Cc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000107744723	543277653	/nfs/dbraw/zinc/27/76/53/543277653.db2.gz	UDQIICRGZWTUSG-QDJLDCPTSA-N	-2	3	364.155	2.421	40	5		FEBBHL
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N-]c2ccccc2C(=O)[O-])c1[N+](=O)[O-]	ZINC000100569065	222246965	/nfs/dbraw/zinc/24/69/65/222246965.db2.gz	GXCPKWYEEPPHAG-UHFFFAOYSA-N	-2	3	363.242	2.435	40	5		FEBBHL
O=c1nc(C=CC=Cc2ccc(Br)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000107578531	543273030	/nfs/dbraw/zinc/27/30/30/543273030.db2.gz	ORGTWEWCXBNLCT-ZPUQHVIOSA-N	-2	3	364.155	2.461	40	5		FEBBHL
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000020458629	263381367	/nfs/dbraw/zinc/38/13/67/263381367.db2.gz	VABCCOQHQMOIMQ-RUDMXATFSA-N	-2	3	364.335	2.428	40	5	biogenic,in-vitro	FEBBHL
COc1ccc([C@@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1OC	ZINC000095533903	542982558	/nfs/dbraw/zinc/98/25/58/542982558.db2.gz	YBZPYTQYPWKYQX-OAHLLOKOSA-N	-2	3	371.353	2.151	40	5		FEBBHL