smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1COCCN1c1ccc([O-])cc1[N+](=O)[O-]	ZINC000725244389	537998887	/nfs/dbraw/zinc/99/88/87/537998887.db2.gz	NFKMFLFFCFDFCI-UHFFFAOYSA-N	-1	1	238.199	0.664	10	5		BCBEMM
NCc1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[nH]1	ZINC000072237740	384844548	/nfs/dbraw/zinc/84/45/48/384844548.db2.gz	PQBOBNXTCWHCFJ-UHFFFAOYSA-N	-1	1	235.203	0.544	10	5		BCBEMM
CCOC(=O)Cc1cc([O-])c([N+](=O)[O-])cc1N	ZINC000575724382	387437384	/nfs/dbraw/zinc/43/73/84/387437384.db2.gz	DUEVBJUWGNQLQZ-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
C[C@@H]1C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193535850	388367722	/nfs/dbraw/zinc/36/77/22/388367722.db2.gz	LUKJMSYEUYDSNS-VDTYLAMSSA-N	-1	1	237.215	0.834	10	5		BCBEMM
O=c1[n-]cnc(-n2ccnc2)c1[N+](=O)[O-]	ZINC000040659887	188292801	/nfs/dbraw/zinc/29/28/01/188292801.db2.gz	OLSMWKPYGVEDJJ-UHFFFAOYSA-N	-1	1	207.149	0.276	10	5		BCBEMM
CCOC(=O)c1c[n-]cc([N+](=O)[O-])c1=O	ZINC000047202878	355362374	/nfs/dbraw/zinc/36/23/74/355362374.db2.gz	HOEKLRNNFXFEBP-UHFFFAOYSA-N	-1	1	212.161	0.872	10	5		BCBEMM
CCOC(=O)c1cncc([N+](=O)[O-])c1[O-]	ZINC000047202878	355362381	/nfs/dbraw/zinc/36/23/81/355362381.db2.gz	HOEKLRNNFXFEBP-UHFFFAOYSA-N	-1	1	212.161	0.872	10	5		BCBEMM
CNN=c1nc[n-]c(Cl)c1[N+](=O)[O-]	ZINC000575450338	386791185	/nfs/dbraw/zinc/79/11/85/386791185.db2.gz	ARNFFJAYULMJDM-UHFFFAOYSA-N	-1	1	203.589	0.585	10	5		BCBEMM
Nc1c(CC(=O)[O-])c(O)ccc1[N+](=O)[O-]	ZINC000575718288	387424610	/nfs/dbraw/zinc/42/46/10/387424610.db2.gz	CUKBHZRHDPJYDE-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
CCOC(=O)Cc1cc([O-])c(N)cc1[N+](=O)[O-]	ZINC000575726203	387463876	/nfs/dbraw/zinc/46/38/76/387463876.db2.gz	ZWDFDXBJQGPXEU-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=O	ZINC000031866889	411187199	/nfs/dbraw/zinc/18/71/99/411187199.db2.gz	OFYFNDZJUKUTMG-UHFFFAOYSA-N	-1	1	210.120	0.869	10	5		BCBEMM
CCOC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1N	ZINC000575726221	387463284	/nfs/dbraw/zinc/46/32/84/387463284.db2.gz	ZZAWQJSBIXCSPS-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
Cc1cc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])no1	ZINC000040582326	178194161	/nfs/dbraw/zinc/19/41/61/178194161.db2.gz	MFERTDQQUGSTQP-UHFFFAOYSA-N	-1	1	237.175	0.718	10	5		BCBEMM
Nc1cc(O)c([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000575719184	387424538	/nfs/dbraw/zinc/42/45/38/387424538.db2.gz	ONJLJDIWFUUYEO-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
Nc1cc(O)c(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000575719435	387426212	/nfs/dbraw/zinc/42/62/12/387426212.db2.gz	UVQVHRYPNQTHJU-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
Cc1cc(C)n(-c2nc[n-]c(=O)c2[N+](=O)[O-])n1	ZINC000040659890	177920596	/nfs/dbraw/zinc/92/05/96/177920596.db2.gz	ZRQYVGOPWDVMEL-UHFFFAOYSA-N	-1	1	235.203	0.893	10	5		BCBEMM
O=C([O-])[C@H]1Cc2c([N+](=O)[O-])ccc(F)c2CN1	ZINC000725255901	538053373	/nfs/dbraw/zinc/05/33/73/538053373.db2.gz	PGIYYENMQNVGRB-MRVPVSSYSA-N	-1	1	240.190	0.833	10	5		BCBEMM
CCOC(=O)Cc1c([O-])cc(N)cc1[N+](=O)[O-]	ZINC000575724587	398068751	/nfs/dbraw/zinc/06/87/51/398068751.db2.gz	KQMGVUDXZASQMI-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
O=C1Cc2cc([N+](=O)[O-])ccc2C(=O)[N-]1	ZINC000145788848	344404013	/nfs/dbraw/zinc/40/40/13/344404013.db2.gz	SMZLRKAOZOGDFK-UHFFFAOYSA-N	-1	1	206.157	0.407	10	5		BCBEMM
C[C@H]1C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193535889	177385548	/nfs/dbraw/zinc/38/55/48/177385548.db2.gz	LUKJMSYEUYDSNS-CAHLUQPWSA-N	-1	1	237.215	0.834	10	5		BCBEMM
NS(=O)(=O)c1nc2cccc([N+](=O)[O-])c2[n-]1	ZINC000034202535	346224390	/nfs/dbraw/zinc/22/43/90/346224390.db2.gz	SYBQMBHDNXLOKK-UHFFFAOYSA-N	-1	1	242.216	0.119	10	5		BCBEMM
Nc1c(CC(=O)[O-])ccc(O)c1[N+](=O)[O-]	ZINC000575719694	387440372	/nfs/dbraw/zinc/44/03/72/387440372.db2.gz	ZSOPIZAJLZXANP-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
CCOC(=O)Cc1cc(N)c([O-])c([N+](=O)[O-])c1	ZINC000575725573	387458543	/nfs/dbraw/zinc/45/85/43/387458543.db2.gz	RWFPOBFYEAMURF-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
CC(C)Oc1[n-]cnc(=NN)c1[N+](=O)[O-]	ZINC000040656747	167315893	/nfs/dbraw/zinc/31/58/93/167315893.db2.gz	RTVRVKLGTUNDDU-UHFFFAOYSA-N	-1	1	213.197	0.458	10	5		BCBEMM
CSc1nc(=NN)[n-]cc1[N+](=O)[O-]	ZINC000235072619	344762995	/nfs/dbraw/zinc/76/29/95/344762995.db2.gz	GCGDHSDHRZEDMV-UHFFFAOYSA-N	-1	1	201.211	0.392	10	5		BCBEMM
Nc1ccc(CC(=O)[O-])c(O)c1[N+](=O)[O-]	ZINC000575718704	384887345	/nfs/dbraw/zinc/88/73/45/384887345.db2.gz	ITRGMYTYPSBEJN-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
COCCCNc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040624181	174252352	/nfs/dbraw/zinc/25/23/52/174252352.db2.gz	VDOYTDBAVSYWPB-UHFFFAOYSA-N	-1	1	228.208	0.127	10	5		BCBEMM
NS(=O)(=O)[N-]c1ccccc1[N+](=O)[O-]	ZINC000039121708	343385756	/nfs/dbraw/zinc/38/57/56/343385756.db2.gz	AZQLBUSBTVCGLW-UHFFFAOYSA-N	-1	1	217.206	0.210	10	5		BCBEMM
O=C([O-])[C@@H]1Cc2c([N+](=O)[O-])ccc(F)c2CN1	ZINC000725255903	538052808	/nfs/dbraw/zinc/05/28/08/538052808.db2.gz	PGIYYENMQNVGRB-QMMMGPOBSA-N	-1	1	240.190	0.833	10	5		BCBEMM
O=C([O-])c1cc([N+](=O)[O-])cc2[nH][nH]c(=O)c21	ZINC000014983685	363366932	/nfs/dbraw/zinc/36/69/32/363366932.db2.gz	HZBIAANWIFVSBD-UHFFFAOYSA-N	-1	1	223.144	0.875	10	5		BCBEMM
Cn1c(=O)[n-]c(-c2ccncc2)c([N+](=O)[O-])c1=O	ZINC000090646261	388441630	/nfs/dbraw/zinc/44/16/30/388441630.db2.gz	BKHHCKCXZPUMQF-UHFFFAOYSA-N	-1	1	248.198	0.044	10	5		BCBEMM
Nc1cc(CC(=O)[O-])c(O)c([N+](=O)[O-])c1	ZINC000575719090	384891140	/nfs/dbraw/zinc/89/11/40/384891140.db2.gz	OADHPNQZLYVFJP-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
CCOC(=O)Cc1c(N)c([O-])ccc1[N+](=O)[O-]	ZINC000575725581	387458517	/nfs/dbraw/zinc/45/85/17/387458517.db2.gz	SCOSPDNGIPDHKU-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
CCOC(=O)Cc1c(N)cc([N+](=O)[O-])cc1[O-]	ZINC000575725128	387459824	/nfs/dbraw/zinc/45/98/24/387459824.db2.gz	RLFVLPQNVQDLJX-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
O=[N+]([O-])c1[nH]nc2cc([N+](=O)[O-])c([O-])nc21	ZINC000089219883	387409739	/nfs/dbraw/zinc/40/97/39/387409739.db2.gz	UDBUPYXCBOGAGK-UHFFFAOYSA-N	-1	1	225.120	0.480	10	5		BCBEMM
O=[N+]([O-])c1[n-]nc2cc([N+](=O)[O-])c(O)nc21	ZINC000089219883	387409743	/nfs/dbraw/zinc/40/97/43/387409743.db2.gz	UDBUPYXCBOGAGK-UHFFFAOYSA-N	-1	1	225.120	0.480	10	5		BCBEMM
CCOC(=O)Cc1cc([N+](=O)[O-])cc(N)c1[O-]	ZINC000575725821	398069079	/nfs/dbraw/zinc/06/90/79/398069079.db2.gz	WATRMKGDWATRPU-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)[O-])c1	ZINC000031439917	351027445	/nfs/dbraw/zinc/02/74/45/351027445.db2.gz	VZGUELDCIMLXIM-UHFFFAOYSA-N	-1	1	233.201	0.688	10	5		BCBEMM
O=c1[nH]c(-c2ccncc2)nc([O-])c1[N+](=O)[O-]	ZINC000064033893	385243991	/nfs/dbraw/zinc/24/39/91/385243991.db2.gz	JRACMSMYZHHMDR-UHFFFAOYSA-N	-1	1	234.171	0.446	10	5		BCBEMM
Nc1cc(CC(=O)[O-])cc(O)c1[N+](=O)[O-]	ZINC000575718225	387424693	/nfs/dbraw/zinc/42/46/93/387424693.db2.gz	BDQGEHQKBNYXSE-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
Nc1cc(O)cc(CC(=O)[O-])c1[N+](=O)[O-]	ZINC000575719381	387426822	/nfs/dbraw/zinc/42/68/22/387426822.db2.gz	SKWOTWKJHKRAEB-UHFFFAOYSA-N	-1	1	212.161	0.510	10	5		BCBEMM
C[C@H]1C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193535862	177349277	/nfs/dbraw/zinc/34/92/77/177349277.db2.gz	LUKJMSYEUYDSNS-FSPLSTOPSA-N	-1	1	237.215	0.834	10	5		BCBEMM
C[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000116815511	589044307	/nfs/dbraw/zinc/04/43/07/589044307.db2.gz	SODIKESQEPOMDQ-UHFFFAOYSA-N	-1	1	234.208	0.642	10	5		BCBEMM
CCOC(=O)Cc1c(N)ccc([O-])c1[N+](=O)[O-]	ZINC000575725902	387459923	/nfs/dbraw/zinc/45/99/23/387459923.db2.gz	XFKSVBIEAYVUBP-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
CCOC(=O)C(=O)[N-]c1onc(C)c1[N+](=O)[O-]	ZINC000005125195	170183793	/nfs/dbraw/zinc/18/37/93/170183793.db2.gz	DESOPOXOZCURNT-UHFFFAOYSA-N	-1	1	243.175	0.393	10	5		BCBEMM
CC(C)(C)c1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000039206890	372902383	/nfs/dbraw/zinc/90/23/83/372902383.db2.gz	YQBGCKDLACWCES-UHFFFAOYSA-N	-1	1	213.193	0.681	10	5		BCBEMM
CCOC(=O)Cc1ccc(N)c([O-])c1[N+](=O)[O-]	ZINC000575725800	398068693	/nfs/dbraw/zinc/06/86/93/398068693.db2.gz	VUXLRDMGCPMYRS-UHFFFAOYSA-N	-1	1	240.215	0.988	10	5		BCBEMM
CCOC(=O)c1cc([O-])c([N+](=O)[O-])cn1	ZINC000095761650	170293106	/nfs/dbraw/zinc/29/31/06/170293106.db2.gz	IJTSHWRWUFYLGW-UHFFFAOYSA-N	-1	1	212.161	0.872	10	5		BCBEMM