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([O-])c1ccc([N+](=O)[O-])c(C(=O)[O-])n1	ZINC000004473030	342873411	/nfs/dbraw/zinc/87/34/11/342873411.db2.gz	NZEUUFGQGLSAOL-UHFFFAOYSA-N	-2	0	212.117	0.386	50	5		BCBARL
O=C([O-])c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000002146925	363361983	/nfs/dbraw/zinc/36/19/83/363361983.db2.gz	CAHWDGJDQYAFHM-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5		BCBARL
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000001850960	358974134	/nfs/dbraw/zinc/97/41/34/358974134.db2.gz	MBXIRNHACKAGPA-UHFFFAOYSA-N	-2	0	200.106	0.914	50	5		BCBARL
O=C([O-])c1cc([N+](=O)[O-])cc(C(=O)[O-])c1O	ZINC000039333317	359621842	/nfs/dbraw/zinc/62/18/42/359621842.db2.gz	MLPKVXMBLCQDPZ-UHFFFAOYSA-N	-2	0	227.128	0.697	50	5		BCBARL
O=C([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000002004507	359679509	/nfs/dbraw/zinc/67/95/09/359679509.db2.gz	GBSWIDSKAJFWMF-UHFFFAOYSA-N	-2	0	228.116	0.907	50	5		BCBARL
CCOC(=O)c1c(C)[n-]c([O-])c([N+](=O)[O-])c1=O	ZINC000008637163	170288137	/nfs/dbraw/zinc/28/81/37/170288137.db2.gz	QVVZZSDZBJQNTB-UHFFFAOYSA-N	-2	0	242.187	0.886	50	5		BCBARL
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000000157056	187244147	/nfs/dbraw/zinc/24/41/47/187244147.db2.gz	SLBQXWXKPNIVSQ-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5	in-vitro	BCBARL
O=C1[N-]C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000013546537	343564505	/nfs/dbraw/zinc/56/45/05/343564505.db2.gz	BDFAXSQHSAMCFA-ZZXKWVIFSA-N	-2	0	249.182	0.481	50	5		BCBARL
O=C([O-])c1ccc([N+](=O)[O-])cc1P(=O)([O-])[O-]	ZINC000001870296	187364760	/nfs/dbraw/zinc/36/47/60/187364760.db2.gz	PFWUFGANONPVGT-UHFFFAOYSA-N	-2	0	247.099	0.096	50	5	in-vitro	BCBARL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC000001651909	357064031	/nfs/dbraw/zinc/06/40/31/357064031.db2.gz	JBMAUZQHVVHPEL-UHFFFAOYSA-N	-2	0	219.174	0.547	50	5		BCBARL
O=[N+]([O-])c1cc([S@@](=O)[O-])ccc1[O-]	ZINC000125976582	541411925	/nfs/dbraw/zinc/41/19/25/541411925.db2.gz	GBOGNOIDOXORLM-UHFFFAOYSA-N	-2	0	203.175	0.881	50	5		BCBARL
Cn1cc([N+](=O)[O-])c(C(=O)[O-])c1C(=O)[O-]	ZINC000248118761	384639540	/nfs/dbraw/zinc/63/95/40/384639540.db2.gz	JHXZCDOLDADAJZ-UHFFFAOYSA-N	-2	0	214.133	0.330	50	5		BCBARL
O=C([O-])Cc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000002523035	388714922	/nfs/dbraw/zinc/71/49/22/388714922.db2.gz	QHIFWNXJOHQQTH-UHFFFAOYSA-N	-2	0	225.156	0.920	50	5		BCBARL
O=[N+]([O-])c1ccc(P(=O)([O-])[O-])cc1	ZINC000001555517	342702873	/nfs/dbraw/zinc/70/28/73/342702873.db2.gz	CBWCNKVANCTCAD-UHFFFAOYSA-N	-2	0	203.090	0.398	50	5		BCBARL
O=C([O-])c1ccc([N+](=O)[O-])c([O-])c1[N+](=O)[O-]	ZINC000016384168	342910310	/nfs/dbraw/zinc/91/03/10/342910310.db2.gz	NOYULBGOASQKGQ-UHFFFAOYSA-N	-2	0	228.116	0.907	50	5		BCBARL
Cc1cc([N+](=O)[O-])cc(P(=O)([O-])[O-])c1	ZINC000003132639	188275530	/nfs/dbraw/zinc/27/55/30/188275530.db2.gz	SDCQMEQCOBYSQI-UHFFFAOYSA-N	-2	0	217.117	0.706	50	5		BCBARL
O=[N+]([O-])c1cc([O-])cc(S(=O)(=O)[O-])c1	ZINC000012846530	370966854	/nfs/dbraw/zinc/96/68/54/370966854.db2.gz	NPGPMHKPZAMEHP-UHFFFAOYSA-N	-2	0	219.174	0.547	50	5		BCBARL
CC(CCC(=O)[O-])(CCC(=O)[O-])[N+](=O)[O-]	ZINC000001733814	387036190	/nfs/dbraw/zinc/03/61/90/387036190.db2.gz	QSVSXKWXZSDWIU-UHFFFAOYSA-N	-2	0	219.193	0.751	50	5		BCBARL
COc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1[O-]	ZINC000012418415	350641534	/nfs/dbraw/zinc/64/15/34/350641534.db2.gz	LLGWEMLOSOXAFB-UHFFFAOYSA-N	-2	0	237.175	0.489	50	5		BCBARL
O=C([O-])Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004369334	182490534	/nfs/dbraw/zinc/49/05/34/182490534.db2.gz	IKQGHWIOQHURNN-UHFFFAOYSA-N	-2	0	225.156	0.920	50	5		BCBARL
O=C([O-])c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000001693948	357154434	/nfs/dbraw/zinc/15/44/34/357154434.db2.gz	NBDAHKQJXVLAID-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5		BCBARL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC000003844752	372076101	/nfs/dbraw/zinc/07/61/01/372076101.db2.gz	ZRPMYHWMBFITIP-UHFFFAOYSA-N	-2	0	247.184	0.540	50	5		BCBARL
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000034772749	386332777	/nfs/dbraw/zinc/33/27/77/386332777.db2.gz	LWFUFLREGJMOIZ-UHFFFAOYSA-N	-2	0	228.116	0.907	50	5	in-vitro	BCBARL
O=[N+]([O-])c1cc([O-])c([N+](=O)[O-])cc1[O-]	ZINC000095482938	388777632	/nfs/dbraw/zinc/77/76/32/388777632.db2.gz	YTTGBZFJDLAQRS-UHFFFAOYSA-N	-2	0	200.106	0.914	50	5		BCBARL
O=C([O-])C(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000038184972	368368152	/nfs/dbraw/zinc/36/81/52/368368152.db2.gz	NZXGYCKPPQTKPF-UHFFFAOYSA-N	-2	0	237.167	0.821	50	5		BCBARL
O=C([O-])c1cc([N+](=O)[O-])cc(C(=O)[O-])n1	ZINC000079052243	182558695	/nfs/dbraw/zinc/55/86/95/182558695.db2.gz	BMTDAQKFBHYKLJ-UHFFFAOYSA-N	-2	0	212.117	0.386	50	5		BCBARL
O=C([O-])c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000000085314	182565414	/nfs/dbraw/zinc/56/54/14/182565414.db2.gz	QUMITRDILMWWBC-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5		BCBARL
O=[N+]([O-])c1ccc([O-])c([N+](=O)[O-])c1[O-]	ZINC000013815087	182939452	/nfs/dbraw/zinc/93/94/52/182939452.db2.gz	LQCKFXAPVKCRRU-UHFFFAOYSA-N	-2	0	200.106	0.914	50	5		BCBARL
O=C([O-])c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000002575270	188100817	/nfs/dbraw/zinc/10/08/17/188100817.db2.gz	OCJFXVHDIVAONP-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5		BCBARL
O=C([O-])CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012580807	182464563	/nfs/dbraw/zinc/46/45/63/182464563.db2.gz	MJVPTCPUVHAQES-UHFFFAOYSA-N	-2	0	240.171	0.115	50	5		BCBARL
Cc1c(CC[N+](=O)[O-])c(C(=O)[O-])[nH]c1C(=O)[O-]	ZINC000002155794	177571049	/nfs/dbraw/zinc/57/10/49/177571049.db2.gz	DBJSZXFEQIHQNQ-UHFFFAOYSA-N	-2	0	242.187	0.539	50	5		BCBARL
O=C1[N-]C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000100253436	191062706	/nfs/dbraw/zinc/06/27/06/191062706.db2.gz	BDFAXSQHSAMCFA-UTCJRWHESA-N	-2	0	249.182	0.481	50	5		BCBARL
O=C([O-])c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000038342316	364573174	/nfs/dbraw/zinc/57/31/74/364573174.db2.gz	IASSWUBTPXIYLD-UHFFFAOYSA-N	-2	0	249.182	0.772	50	5		BCBARL
O=C([O-])Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000004290726	388398692	/nfs/dbraw/zinc/39/86/92/388398692.db2.gz	CKXXWBQEZGLFMV-UHFFFAOYSA-N	-2	0	225.156	0.920	50	5		BCBARL
CC(=O)Nc1c([O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003833968	188102095	/nfs/dbraw/zinc/10/20/95/188102095.db2.gz	JIDRTCHFBHJIDG-UHFFFAOYSA-N	-2	0	240.171	0.957	50	5	in-vivo	BCBARL
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000000149795	385255718	/nfs/dbraw/zinc/25/57/18/385255718.db2.gz	KFIRODWJCYBBHY-UHFFFAOYSA-N	-2	0	211.129	0.991	50	5	in-vitro	BCBARL
COC(=O)c1c[n-]c([O-])c([N+](=O)[O-])c1=O	ZINC000040564639	373503946	/nfs/dbraw/zinc/50/39/46/373503946.db2.gz	XFKYOFYOTZRQAW-UHFFFAOYSA-N	-2	0	214.133	0.188	50	5		BCBARL
O=C([O-])CNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000012249672	385732994	/nfs/dbraw/zinc/73/29/94/385732994.db2.gz	NJQUVBKOFPHRSE-UHFFFAOYSA-N	-2	0	240.171	0.790	50	5		BCBARL
COc1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-]	ZINC000001725593	175018354	/nfs/dbraw/zinc/01/83/54/175018354.db2.gz	BWDAHECHVSVBTM-UHFFFAOYSA-N	-2	0	233.116	0.406	50	5		BCBARL
O=C([O-])Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000001761868	387529013	/nfs/dbraw/zinc/52/90/13/387529013.db2.gz	MLVYQQLUGFSXQH-UHFFFAOYSA-N	-2	0	242.143	0.836	50	5		BCBARL
O=C([O-])C(=Cc1ccc([N+](=O)[O-])o1)C(=O)[O-]	ZINC000001569278	387710046	/nfs/dbraw/zinc/71/00/46/387710046.db2.gz	RHOXTLQEQOIWMH-UHFFFAOYSA-N	-2	0	227.128	0.740	50	5		BCBARL
O=[N+]([O-])c1cccc(P(=O)([O-])[O-])c1	ZINC000001555516	356701712	/nfs/dbraw/zinc/70/17/12/356701712.db2.gz	OXWXINKWKITCIH-UHFFFAOYSA-N	-2	0	203.090	0.398	50	5		BCBARL
Nc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C(=O)[O-]	ZINC000003845121	372076213	/nfs/dbraw/zinc/07/62/13/372076213.db2.gz	XXTHTNIIKPSJKI-UHFFFAOYSA-N	-2	0	226.144	0.573	50	5		BCBARL
O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-]	ZINC000059444437	388397571	/nfs/dbraw/zinc/39/75/71/388397571.db2.gz	IXHMHWIBCIYOAZ-UHFFFAOYSA-N	-2	0	245.103	0.822	50	5		BCBARL
COc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000034566642	174977663	/nfs/dbraw/zinc/97/76/63/174977663.db2.gz	ZGIZIBATHAJGOD-UHFFFAOYSA-N	-2	0	227.172	0.936	50	5		BCBARL
Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000001908984	359102317	/nfs/dbraw/zinc/10/23/17/359102317.db2.gz	RHPXYZMDLOJTFF-UHFFFAOYSA-N	-2	0	234.189	0.129	50	5		BCBARL