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-])c1cc(Nc2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000019845045	212075676	/nfs/dbraw/zinc/07/56/76/212075676.db2.gz	YOBZYDSNIWZQLB-UHFFFAOYSA-N	-1	0	337.129	3.799	10	5		EHBERM
O=C([O-])c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1	ZINC000013179440	207370772	/nfs/dbraw/zinc/37/07/72/207370772.db2.gz	MKWFRNBXRUEMSL-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
CC1(C)CCc2c(ccc3c(=O)c4cccc(CC(=O)[O-])c4oc32)O1	ZINC000027554985	202156059	/nfs/dbraw/zinc/15/60/59/202156059.db2.gz	TXHXONXCPOQAKJ-UHFFFAOYSA-N	-1	0	338.359	3.677	10	5		EHBERM
C[C@@H](COCc1ccccc1)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000719424387	978004143	/nfs/dbraw/zinc/00/41/43/978004143.db2.gz	BHUKVWBQLUXNPP-ZDUSSCGKSA-N	-1	0	345.351	3.525	10	5		EHBERM
CC(C)(CSc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000700257180	976939318	/nfs/dbraw/zinc/93/93/18/976939318.db2.gz	NHGSEDPWGBSTHO-UHFFFAOYSA-N	-1	0	334.191	3.560	10	5		EHBERM
CCc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1	ZINC000020333341	202039328	/nfs/dbraw/zinc/03/93/28/202039328.db2.gz	KNZDRCGZTORMIC-VMPITWQZSA-N	-1	0	346.364	3.569	10	5		EHBERM
CCCNc1ncnc([N-]c2nc3ccc(C)cc3s2)c1[N+](=O)[O-]	ZINC000040596986	202454588	/nfs/dbraw/zinc/45/45/88/202454588.db2.gz	KQRRFESJXOEQSJ-UHFFFAOYSA-N	-1	0	344.400	3.868	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Nc1ccccc1Cl	ZINC000040647748	202457272	/nfs/dbraw/zinc/45/72/72/202457272.db2.gz	NCLONFBGGSYIIB-UHFFFAOYSA-N	-1	0	348.775	3.982	10	5		EHBERM
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000021028252	202061516	/nfs/dbraw/zinc/06/15/16/202061516.db2.gz	CPMIAWUMQKWVFI-UHFFFAOYSA-N	-1	0	336.731	3.605	10	5		EHBERM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C	ZINC000005249545	564001413	/nfs/dbraw/zinc/00/14/13/564001413.db2.gz	RNWKEAMIFIBEEM-UHFFFAOYSA-N	-1	0	340.788	3.666	10	5		EHBERM
CCc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040587301	202454883	/nfs/dbraw/zinc/45/48/83/202454883.db2.gz	LXCCTQJPZODVGT-UHFFFAOYSA-N	-1	0	342.384	3.891	10	5		EHBERM
O=C([O-])c1cc(Oc2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000019437221	212029025	/nfs/dbraw/zinc/02/90/25/212029025.db2.gz	NZEUKAYWLHMZTL-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
O=C([O-])c1ccc([N+](=O)[O-])cc1-c1ccc(OC(F)(F)F)cc1	ZINC000095495373	203749992	/nfs/dbraw/zinc/74/99/92/203749992.db2.gz	OFNBJEKQJSZPIX-UHFFFAOYSA-N	-1	0	327.214	3.859	10	5		EHBERM
Cc1ccccc1Nc1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040647747	202457203	/nfs/dbraw/zinc/45/72/03/202457203.db2.gz	INLAHJNKYKNECT-UHFFFAOYSA-N	-1	0	328.357	3.637	10	5		EHBERM
Cc1ccc(Oc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040647808	202457656	/nfs/dbraw/zinc/45/76/56/202457656.db2.gz	ZQCRTWZSJSQJEV-UHFFFAOYSA-N	-1	0	329.341	3.686	10	5		EHBERM
O=C([O-])c1cc(Nc2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000019845056	212074900	/nfs/dbraw/zinc/07/49/00/212074900.db2.gz	FQDKHJNQGCYPPX-UHFFFAOYSA-N	-1	0	337.129	3.799	10	5		EHBERM
Cc1cccc([N-]c2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])n1	ZINC000040584712	213355042	/nfs/dbraw/zinc/35/50/42/213355042.db2.gz	YTFLPUOIQMEOBF-UHFFFAOYSA-N	-1	0	340.318	3.715	10	5		EHBERM
O=C([O-])c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1	ZINC000019482196	212032570	/nfs/dbraw/zinc/03/25/70/212032570.db2.gz	WSNDRQBFBINRNX-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
Cc1nc([N-]c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])sc1C	ZINC000040647888	213363825	/nfs/dbraw/zinc/36/38/25/213363825.db2.gz	QUKFYWQRBFTXCP-UHFFFAOYSA-N	-1	0	342.384	3.945	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])no1	ZINC000040582204	213354308	/nfs/dbraw/zinc/35/43/08/213354308.db2.gz	FPMDWQNEUJLOII-UHFFFAOYSA-N	-1	0	346.734	3.822	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c1	ZINC000040588361	213355630	/nfs/dbraw/zinc/35/56/30/213355630.db2.gz	HPWGWQNWBBHNIB-UHFFFAOYSA-N	-1	0	329.360	3.543	10	5		EHBERM
CCN(CC)c1ncnc([N-]c2nc3ccccc3s2)c1[N+](=O)[O-]	ZINC000040608013	213357407	/nfs/dbraw/zinc/35/74/07/213357407.db2.gz	FGHCXBJRQOMHLT-UHFFFAOYSA-N	-1	0	344.400	3.584	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])c1	ZINC000040588345	213355321	/nfs/dbraw/zinc/35/53/21/213355321.db2.gz	SWLWZLMKOQNWGZ-UHFFFAOYSA-N	-1	0	342.403	3.967	10	5		EHBERM
O=C([O-])c1cccc([N+](=O)[O-])c1/C=C/c1ccc(Br)o1	ZINC000069593632	564135554	/nfs/dbraw/zinc/13/55/54/564135554.db2.gz	WIHZMVBFNANSJC-GQCTYLIASA-N	-1	0	338.113	3.819	10	5		EHBERM
O=C([O-])CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000692523112	976521959	/nfs/dbraw/zinc/52/19/59/976521959.db2.gz	LNWJKRMUCFVZQY-UHFFFAOYSA-N	-1	0	334.759	3.730	10	5		EHBERM
CC(C)(C)OC(=O)N=c1[n-]nc(-c2ccc(F)c([N+](=O)[O-])c2)s1	ZINC000097758706	219054885	/nfs/dbraw/zinc/05/48/85/219054885.db2.gz	DCONFMIJKBXRLV-UHFFFAOYSA-N	-1	0	340.336	3.599	10	5		EHBERM
CC(C)C[C@H](CNc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000700017189	954860666	/nfs/dbraw/zinc/86/06/66/954860666.db2.gz	PPOFVHQJIKLCCL-SECBINFHSA-N	-1	0	345.193	3.516	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1cccc(Cl)c1	ZINC000040646805	213364372	/nfs/dbraw/zinc/36/43/72/213364372.db2.gz	CKCQALMNQPZZMZ-UHFFFAOYSA-N	-1	0	342.746	3.920	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])c(C)c1	ZINC000040621038	213360133	/nfs/dbraw/zinc/36/01/33/213360133.db2.gz	NEWOGKAJZJUTLJ-UHFFFAOYSA-N	-1	0	342.384	3.945	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1Oc1ccccc1	ZINC000040659759	213365576	/nfs/dbraw/zinc/36/55/76/213365576.db2.gz	FIKJPSUAMCBEAU-UHFFFAOYSA-N	-1	0	343.730	3.969	10	5		EHBERM
Cc1cc([N-]c2ncnc(Oc3cc(C)cc(C)c3)c2[N+](=O)[O-])no1	ZINC000040581953	213353631	/nfs/dbraw/zinc/35/36/31/213353631.db2.gz	QNAZDDFBNJCUFV-UHFFFAOYSA-N	-1	0	341.327	3.834	10	5		EHBERM
CC(C)C[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000700017191	954860752	/nfs/dbraw/zinc/86/07/52/954860752.db2.gz	PPOFVHQJIKLCCL-VIFPVBQESA-N	-1	0	345.193	3.516	10	5		EHBERM
CCC[C@](C)(Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000054632817	214247711	/nfs/dbraw/zinc/24/77/11/214247711.db2.gz	XELXYAVADQJUCO-CYBMUJFWSA-N	-1	0	330.178	3.791	10	5		EHBERM
Cc1ccc2nc([N-]c3ncnc(OC(C)C)c3[N+](=O)[O-])sc2c1	ZINC000040650528	213364093	/nfs/dbraw/zinc/36/40/93/213364093.db2.gz	CXGMTNXDWHAAMD-UHFFFAOYSA-N	-1	0	345.384	3.834	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])c(C)c1	ZINC000040621023	213360122	/nfs/dbraw/zinc/36/01/22/213360122.db2.gz	BSOGTXJOAAAVSH-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c1	ZINC000040588166	213354649	/nfs/dbraw/zinc/35/46/49/213354649.db2.gz	TWAPLYZIDFDJQG-UHFFFAOYSA-N	-1	0	328.376	3.576	10	5		EHBERM
Cc1nc([N-]c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])sc1C	ZINC000040598174	213356793	/nfs/dbraw/zinc/35/67/93/213356793.db2.gz	OMWGDDFMWBDJED-UHFFFAOYSA-N	-1	0	348.432	3.946	10	5		EHBERM
C[C@H](COCc1ccccc1)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000719424359	978004242	/nfs/dbraw/zinc/00/42/42/978004242.db2.gz	BHUKVWBQLUXNPP-CYBMUJFWSA-N	-1	0	345.351	3.525	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3cccc(C)c3C)c2[N+](=O)[O-])no1	ZINC000040582125	213354177	/nfs/dbraw/zinc/35/41/77/213354177.db2.gz	YGVPTTKVRYJQAI-UHFFFAOYSA-N	-1	0	340.343	3.785	10	5		EHBERM
O=C([O-])c1cc(Oc2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000019513785	212034751	/nfs/dbraw/zinc/03/47/51/212034751.db2.gz	POSAQDZNVDBTPJ-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
O=C([O-])c1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000013185628	211534395	/nfs/dbraw/zinc/53/43/95/211534395.db2.gz	WBBDWFGUMZLFSF-FPYGCLRLSA-N	-1	0	346.726	3.598	10	5		EHBERM
Cc1ccc([N-]c2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])nc1	ZINC000040625561	213361894	/nfs/dbraw/zinc/36/18/94/213361894.db2.gz	WROBWGCVZSOINM-UHFFFAOYSA-N	-1	0	336.355	3.600	10	5		EHBERM
Cc1ccc(Oc2nc[n-]c(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624636	213361083	/nfs/dbraw/zinc/36/10/83/213361083.db2.gz	BXFPXYMDDLUGGC-UHFFFAOYSA-N	-1	0	337.339	3.925	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])c1	ZINC000040588250	213355332	/nfs/dbraw/zinc/35/53/32/213355332.db2.gz	OZBVKIUCCLPERX-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccccc1Cl	ZINC000040646801	213364192	/nfs/dbraw/zinc/36/41/92/213364192.db2.gz	ZHQRLFOUXJKYAC-UHFFFAOYSA-N	-1	0	342.746	3.920	10	5		EHBERM
Cc1cc(C)cc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])c1	ZINC000040583008	213353921	/nfs/dbraw/zinc/35/39/21/213353921.db2.gz	KBGYCSBMJHDAFL-UHFFFAOYSA-N	-1	0	342.384	3.945	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccc(Cl)cn2)ncnc1Nc1ccccc1	ZINC000040646972	213363436	/nfs/dbraw/zinc/36/34/36/213363436.db2.gz	PCMSAOSCRVWQJA-UHFFFAOYSA-N	-1	0	342.746	3.920	10	5		EHBERM
O=C([O-])c1ccc([N+](=O)[O-])cc1-c1cccc(OC(F)(F)F)c1	ZINC000095495371	218412496	/nfs/dbraw/zinc/41/24/96/218412496.db2.gz	NQEPWPGKHRVVLZ-UHFFFAOYSA-N	-1	0	327.214	3.859	10	5		EHBERM
COc1ccc2ncc(C(=O)[O-])c(Nc3cccc([N+](=O)[O-])c3)c2c1	ZINC000004226223	210146523	/nfs/dbraw/zinc/14/65/23/210146523.db2.gz	IFFLFGLARLMSOL-UHFFFAOYSA-N	-1	0	339.307	3.593	10	5		EHBERM
O=C([O-])c1cc(Nc2ccc(Br)cc2)ccc1[N+](=O)[O-]	ZINC000019845050	212075839	/nfs/dbraw/zinc/07/58/39/212075839.db2.gz	FBWYAYDTQLZLMS-UHFFFAOYSA-N	-1	0	337.129	3.799	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1Oc1cccnc1	ZINC000040660438	213365635	/nfs/dbraw/zinc/36/56/35/213365635.db2.gz	GHMVJISGXZKPPP-UHFFFAOYSA-N	-1	0	345.265	3.594	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3cccc(C)n3)c2[N+](=O)[O-])cc1	ZINC000040584705	213355343	/nfs/dbraw/zinc/35/53/43/213355343.db2.gz	ZALZMBLUZUWJNT-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
Cc1cc([N-]c2ncnc(Sc3ccccc3)c2[N+](=O)[O-])no1	ZINC000040582240	213353181	/nfs/dbraw/zinc/35/31/81/213353181.db2.gz	CFJKYHMDHFWWHB-UHFFFAOYSA-N	-1	0	329.341	3.576	10	5		EHBERM
CCN(c1ccccc1)c1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040573391	213352628	/nfs/dbraw/zinc/35/26/28/213352628.db2.gz	CWFFWXFMPDWEQK-UHFFFAOYSA-N	-1	0	342.384	3.743	10	5		EHBERM
CC(C)Nc1ncnc([N-]c2nc3ccccc3s2)c1[N+](=O)[O-]	ZINC000040597469	213356923	/nfs/dbraw/zinc/35/69/23/213356923.db2.gz	KAPQJJPWVRTVDG-UHFFFAOYSA-N	-1	0	330.373	3.558	10	5		EHBERM
O=C([O-])c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br	ZINC000019479558	212030603	/nfs/dbraw/zinc/03/06/03/212030603.db2.gz	MVDBOQGKEIKGDM-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])c1	ZINC000040588222	213354672	/nfs/dbraw/zinc/35/46/72/213354672.db2.gz	UNHKPDGGKUWZLN-UHFFFAOYSA-N	-1	0	336.355	3.600	10	5		EHBERM
CC(C)(C)Nc1ncnc([N-]c2nc3ccccc3s2)c1[N+](=O)[O-]	ZINC000040581675	213353886	/nfs/dbraw/zinc/35/38/86/213353886.db2.gz	FVGDJQZWYCBQKK-UHFFFAOYSA-N	-1	0	344.400	3.949	10	5		EHBERM
O=C([O-])c1ccc(Nc2ccccc2Br)c([N+](=O)[O-])c1	ZINC000019845043	212074919	/nfs/dbraw/zinc/07/49/19/212074919.db2.gz	JUNYOYZXZWOTID-UHFFFAOYSA-N	-1	0	337.129	3.799	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1OC1CCCCC1	ZINC000040661591	213365722	/nfs/dbraw/zinc/36/57/22/213365722.db2.gz	LNRQYEPNZFOXDQ-UHFFFAOYSA-N	-1	0	349.778	3.888	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1NC1CCCCCC1	ZINC000040647842	213363880	/nfs/dbraw/zinc/36/38/80/213363880.db2.gz	KGAJQQHVMOFOCK-UHFFFAOYSA-N	-1	0	334.405	3.720	10	5		EHBERM
Cc1cccc2sc([N-]c3ncnc(OC(C)C)c3[N+](=O)[O-])nc21	ZINC000040650429	213363528	/nfs/dbraw/zinc/36/35/28/213363528.db2.gz	GPDAGEWEVBMSLT-UHFFFAOYSA-N	-1	0	345.384	3.834	10	5		EHBERM
Cc1cccnc1[N-]c1ncnc(NC2CCCCCC2)c1[N+](=O)[O-]	ZINC000040626057	213360608	/nfs/dbraw/zinc/36/06/08/213360608.db2.gz	ZURGPHDZRYTVLL-UHFFFAOYSA-N	-1	0	342.403	3.967	10	5		EHBERM
Cc1ccc(Sc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040646821	213363670	/nfs/dbraw/zinc/36/36/70/213363670.db2.gz	VFMBRJNWRKPEKA-UHFFFAOYSA-N	-1	0	339.380	3.983	10	5		EHBERM
Cc1cccnc1[N-]c1ncnc(OC2CCCCC2)c1[N+](=O)[O-]	ZINC000040626105	213361033	/nfs/dbraw/zinc/36/10/33/213361033.db2.gz	NTFSJMSZJZDPMH-UHFFFAOYSA-N	-1	0	329.360	3.543	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3cc(C)ccn3)c2[N+](=O)[O-])cc1	ZINC000040588258	213355248	/nfs/dbraw/zinc/35/52/48/213355248.db2.gz	CWNWBJGUSKLUSY-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
CCC[C@@](C)(Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000054632814	214247685	/nfs/dbraw/zinc/24/76/85/214247685.db2.gz	XELXYAVADQJUCO-ZDUSSCGKSA-N	-1	0	330.178	3.791	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1NC1CCCCC1	ZINC000040598452	213357176	/nfs/dbraw/zinc/35/71/76/213357176.db2.gz	IAMYUWVATUYXRA-UHFFFAOYSA-N	-1	0	348.794	3.921	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])no1	ZINC000040582212	213354344	/nfs/dbraw/zinc/35/43/44/213354344.db2.gz	FYVWFBYZWFXYSC-UHFFFAOYSA-N	-1	0	346.734	3.822	10	5		EHBERM
CCC(CC)(CNc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000697689099	954830395	/nfs/dbraw/zinc/83/03/95/954830395.db2.gz	ZUZNPFCXGXMGJA-UHFFFAOYSA-N	-1	0	345.193	3.660	10	5		EHBERM
Cc1ccc(Oc2ncnc([N-]c3cccc(C)n3)c2[N+](=O)[O-])cc1	ZINC000040584801	213355523	/nfs/dbraw/zinc/35/55/23/213355523.db2.gz	NKQXQYKNAVLGDU-UHFFFAOYSA-N	-1	0	337.339	3.933	10	5		EHBERM
CCc1ccc(Nc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040587296	213355287	/nfs/dbraw/zinc/35/52/87/213355287.db2.gz	WHXSQNYOHJFUJO-UHFFFAOYSA-N	-1	0	336.355	3.829	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3ccc(Cl)cc3)c2[N+](=O)[O-])no1	ZINC000040582220	213353726	/nfs/dbraw/zinc/35/37/26/213353726.db2.gz	PTYASJSDAKBHLW-UHFFFAOYSA-N	-1	0	346.734	3.822	10	5		EHBERM
Cc1cc(NCCCOCc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721071686	978094193	/nfs/dbraw/zinc/09/41/93/978094193.db2.gz	ZXDBVPLUQAVJKO-UHFFFAOYSA-N	-1	0	344.367	3.620	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Nc1cccc(Cl)c1	ZINC000040647752	213363750	/nfs/dbraw/zinc/36/37/50/213363750.db2.gz	BPYHOBNQODQZEC-UHFFFAOYSA-N	-1	0	348.775	3.982	10	5		EHBERM
CCCNc1ncnc([N-]c2nc3ccccc3s2)c1[N+](=O)[O-]	ZINC000040596872	213356068	/nfs/dbraw/zinc/35/60/68/213356068.db2.gz	SIDOVQVOWNCZCX-UHFFFAOYSA-N	-1	0	330.373	3.560	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Nc1ccc(Cl)cc1	ZINC000040647756	213363481	/nfs/dbraw/zinc/36/34/81/213363481.db2.gz	LFMWZBARKZNQEX-UHFFFAOYSA-N	-1	0	348.775	3.982	10	5		EHBERM
Cc1ccnc([N-]c2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])c1	ZINC000040588227	213355312	/nfs/dbraw/zinc/35/53/12/213355312.db2.gz	BFWNVZJWGBAZCJ-UHFFFAOYSA-N	-1	0	340.318	3.715	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Sc1ccccc1	ZINC000040647766	213364309	/nfs/dbraw/zinc/36/43/09/213364309.db2.gz	FQELTWBOSRDSKK-UHFFFAOYSA-N	-1	0	331.382	3.736	10	5		EHBERM
Cc1cccc([N-]c2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])n1	ZINC000040584642	213355724	/nfs/dbraw/zinc/35/57/24/213355724.db2.gz	FCIUFKUXNGLXSM-UHFFFAOYSA-N	-1	0	336.355	3.600	10	5		EHBERM
Cc1ccc(Oc2ncnc([N-]c3cc(C)ccn3)c2[N+](=O)[O-])cc1	ZINC000040588311	213355451	/nfs/dbraw/zinc/35/54/51/213355451.db2.gz	MDGGYXBZUKWHOV-UHFFFAOYSA-N	-1	0	337.339	3.933	10	5		EHBERM
CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000021027903	212202312	/nfs/dbraw/zinc/20/23/12/212202312.db2.gz	MMICWTAIIREQNX-LBPRGKRZSA-N	-1	0	344.367	3.831	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])no1	ZINC000040581955	213354128	/nfs/dbraw/zinc/35/41/28/213354128.db2.gz	GQEINRJKZKWZIS-UHFFFAOYSA-N	-1	0	340.343	3.785	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccc(Cl)cn2)ncnc1N1CCCCCC1	ZINC000040610042	213357779	/nfs/dbraw/zinc/35/77/79/213357779.db2.gz	WDMORLIOIMFKGI-UHFFFAOYSA-N	-1	0	348.794	3.557	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3ccc(C)cc3C)c2[N+](=O)[O-])no1	ZINC000040582127	213353383	/nfs/dbraw/zinc/35/33/83/213353383.db2.gz	JHWHBJKOAROMEX-UHFFFAOYSA-N	-1	0	340.343	3.785	10	5		EHBERM
O=C([O-])c1ccc2c(c1)ccc1c(Br)cccc1c2=O	ZINC000039247101	213233168	/nfs/dbraw/zinc/23/31/68/213233168.db2.gz	GJPXGFKSVUVJRG-UHFFFAOYSA-N	-1	0	329.149	3.814	10	5		EHBERM
Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1C	ZINC000020332859	212119765	/nfs/dbraw/zinc/11/97/65/212119765.db2.gz	BUVSMXHCLTVLNL-VMPITWQZSA-N	-1	0	346.364	3.623	10	5		EHBERM
O=C([O-])c1ccc(Oc2ccccc2Br)c([N+](=O)[O-])c1	ZINC000019485474	212032423	/nfs/dbraw/zinc/03/24/23/212032423.db2.gz	HVDXZCUZGQGTLX-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
Cc1cccc([N-]c2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])n1	ZINC000040584486	213353981	/nfs/dbraw/zinc/35/39/81/213353981.db2.gz	XQCQGQQTVYPZRZ-UHFFFAOYSA-N	-1	0	348.366	3.526	10	5		EHBERM
Cc1cc([N-]c2ncnc(N(CC(C)C)CC(C)C)c2[N+](=O)[O-])no1	ZINC000040582097	213354092	/nfs/dbraw/zinc/35/40/92/213354092.db2.gz	MVKBAWYZELVMNA-UHFFFAOYSA-N	-1	0	348.407	3.543	10	5		EHBERM
Cc1cc([N-]c2ncnc(Sc3ccc(C)cc3)c2[N+](=O)[O-])no1	ZINC000040582244	213353227	/nfs/dbraw/zinc/35/32/27/213353227.db2.gz	UGSLBNDPDVTKFO-UHFFFAOYSA-N	-1	0	343.368	3.884	10	5		EHBERM
O=C([O-])c1ccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1O	ZINC000005933153	210561083	/nfs/dbraw/zinc/56/10/83/210561083.db2.gz	KWRMAQBKSXXWNB-LZCJLJQNSA-N	-1	0	336.303	3.717	10	5		EHBERM
Cc1cc([N-]c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])no1	ZINC000040582392	213354324	/nfs/dbraw/zinc/35/43/24/213354324.db2.gz	FKDKCHBQASKYIB-UHFFFAOYSA-N	-1	0	332.364	3.560	10	5		EHBERM
CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000021027894	212201944	/nfs/dbraw/zinc/20/19/44/212201944.db2.gz	MMICWTAIIREQNX-GFCCVEGCSA-N	-1	0	344.367	3.831	10	5		EHBERM
CCC(CC)(Cc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000054633240	214247643	/nfs/dbraw/zinc/24/76/43/214247643.db2.gz	ICGXWNNVJXIWLW-UHFFFAOYSA-N	-1	0	330.178	3.791	10	5		EHBERM
Cc1ccc(Oc2ncnc([N-]c3ncccc3C)c2[N+](=O)[O-])cc1	ZINC000040625954	213361759	/nfs/dbraw/zinc/36/17/59/213361759.db2.gz	ISEWBLSQSDCURD-UHFFFAOYSA-N	-1	0	337.339	3.933	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])no1	ZINC000040582007	213353220	/nfs/dbraw/zinc/35/32/20/213353220.db2.gz	QTQLEEZTGBYHPT-UHFFFAOYSA-N	-1	0	340.343	3.785	10	5		EHBERM
Cc1ccc(Sc2nc[n-]c(=NNC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040650333	213364380	/nfs/dbraw/zinc/36/43/80/213364380.db2.gz	BQYFGIIDWGUPMY-UHFFFAOYSA-N	-1	0	333.417	3.559	10	5		EHBERM
Cc1cccc2sc([N-]c3ncnc(NC(C)C)c3[N+](=O)[O-])nc21	ZINC000040597579	213356495	/nfs/dbraw/zinc/35/64/95/213356495.db2.gz	UDXRRXKNSYPFEE-UHFFFAOYSA-N	-1	0	344.400	3.867	10	5		EHBERM
O=[N+]([O-])c1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c(Cl)c1	ZINC000238854983	564105535	/nfs/dbraw/zinc/10/55/35/564105535.db2.gz	PZXINARIYICOSZ-UHFFFAOYSA-N	-1	0	347.179	3.702	10	5		EHBERM
Cc1cc([N-]c2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])no1	ZINC000040582015	213353969	/nfs/dbraw/zinc/35/39/69/213353969.db2.gz	ADCQPAYXDNWCKW-UHFFFAOYSA-N	-1	0	340.343	3.785	10	5		EHBERM
COc1cc2cc(C(=O)[O-])c3cc(OC)c(OC)cc3c2cc1OC	ZINC000103202467	219269573	/nfs/dbraw/zinc/26/95/73/219269573.db2.gz	ITKYSTASQAVAQK-UHFFFAOYSA-N	-1	0	342.347	3.726	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc1C	ZINC000040590069	213355210	/nfs/dbraw/zinc/35/52/10/213355210.db2.gz	BAQOTLOXXAOUDZ-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
Cc1cc(C)cc(Oc2nc[n-]c(=NNC(C)(C)C)c2[N+](=O)[O-])c1	ZINC000040582816	213353462	/nfs/dbraw/zinc/35/34/62/213353462.db2.gz	BRCRLUQCHMZPIC-UHFFFAOYSA-N	-1	0	331.376	3.509	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040647755	213364334	/nfs/dbraw/zinc/36/43/34/213364334.db2.gz	SNKVZAWRJJEHPQ-UHFFFAOYSA-N	-1	0	328.357	3.637	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1Nc1ccccc1	ZINC000040647978	213363588	/nfs/dbraw/zinc/36/35/88/213363588.db2.gz	QFXKNLBDXFPRKW-UHFFFAOYSA-N	-1	0	342.746	3.920	10	5		EHBERM
Cc1ccccc1Nc1ncnc([N-]c2ncccc2C)c1[N+](=O)[O-]	ZINC000040625774	213361064	/nfs/dbraw/zinc/36/10/64/213361064.db2.gz	KGRKBGYADMPUMH-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
Cc1cc(C)cc(Oc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])c1	ZINC000040582676	213354296	/nfs/dbraw/zinc/35/42/96/213354296.db2.gz	NLLONVCQEVPSPU-UHFFFAOYSA-N	-1	0	337.339	3.933	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccc(F)c(F)c1	ZINC000040646892	213364337	/nfs/dbraw/zinc/36/43/37/213364337.db2.gz	WPWAIJIRHGNVFK-UHFFFAOYSA-N	-1	0	344.281	3.545	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccc(Cl)cc1	ZINC000040646809	213364098	/nfs/dbraw/zinc/36/40/98/213364098.db2.gz	FWTHPPCJPVEMOM-UHFFFAOYSA-N	-1	0	342.746	3.920	10	5		EHBERM
CCc1ccccc1Nc1ncnc([N-]c2cc(C)on2)c1[N+](=O)[O-]	ZINC000040581985	213354267	/nfs/dbraw/zinc/35/42/67/213354267.db2.gz	JMEOFYAFINMPKL-UHFFFAOYSA-N	-1	0	340.343	3.731	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3ncccc3C)c2[N+](=O)[O-])cc1	ZINC000040625797	213361789	/nfs/dbraw/zinc/36/17/89/213361789.db2.gz	RPKYOEFQSBGQLM-UHFFFAOYSA-N	-1	0	336.355	3.884	10	5		EHBERM
O=[N+]([O-])c1c([N-]c2cccnc2Cl)ncnc1N1CCCCCC1	ZINC000040610158	213357504	/nfs/dbraw/zinc/35/75/04/213357504.db2.gz	SFVKATLTZURFJE-UHFFFAOYSA-N	-1	0	348.794	3.557	10	5		EHBERM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1C	ZINC000040590079	213355747	/nfs/dbraw/zinc/35/57/47/213355747.db2.gz	IAQNKXOORCAONA-UHFFFAOYSA-N	-1	0	342.384	3.945	10	5		EHBERM
O=C([O-])c1cc(Oc2ccc(Br)cc2)ccc1[N+](=O)[O-]	ZINC000019518885	212036517	/nfs/dbraw/zinc/03/65/17/212036517.db2.gz	YNPFHRYETKDYPM-UHFFFAOYSA-N	-1	0	338.113	3.848	10	5		EHBERM
COc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1C(F)(F)F	ZINC000095495408	218412671	/nfs/dbraw/zinc/41/26/71/218412671.db2.gz	FXYWNZVDTRVZEO-UHFFFAOYSA-N	-1	0	341.241	3.987	10	5		EHBERM