smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000013094953	201883988	/nfs/dbraw/zinc/88/39/88/201883988.db2.gz	DBHQDJYZFQUVTL-UHFFFAOYSA-N	-1	0	330.296	2.944	40	5		EFBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C(=O)[O-])c1O	ZINC000020140934	202033816	/nfs/dbraw/zinc/03/38/16/202033816.db2.gz	JGCMEZCDABWYLW-UHFFFAOYSA-N	-1	0	330.296	2.868	40	5		EFBBRM
CSc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000078556798	202397929	/nfs/dbraw/zinc/39/79/29/202397929.db2.gz	XZJCESRRPWLUMU-UHFFFAOYSA-N	-1	0	325.371	2.513	40	5		EFBBRM
O=C([O-])c1cn(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000216935135	241225651	/nfs/dbraw/zinc/22/56/51/241225651.db2.gz	GORSZKIIUBYNLJ-UHFFFAOYSA-N	-1	0	340.291	2.967	40	5		EFBBRM
C[C@@H](OC(C)(C)C)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000255189448	244048778	/nfs/dbraw/zinc/04/87/78/244048778.db2.gz	PXVAEELNASQZEJ-BXKDBHETSA-N	-1	0	328.390	2.848	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])c(NCCc2ccccc2)c([N+](=O)[O-])c1	ZINC000059489762	304227793	/nfs/dbraw/zinc/22/77/93/304227793.db2.gz	XAKDDYXCEWRWEZ-UHFFFAOYSA-N	-1	0	331.284	2.856	40	5		EFBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013166190	207354460	/nfs/dbraw/zinc/35/44/60/207354460.db2.gz	JSXWXMREQUAHJJ-UHFFFAOYSA-N	-1	0	334.715	2.876	40	5		EFBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000013391027	207385188	/nfs/dbraw/zinc/38/51/88/207385188.db2.gz	GDQUETCVQPKXDY-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004760047	471474106	/nfs/dbraw/zinc/47/41/06/471474106.db2.gz	WIVIBAYEYWRCMI-BCWBERDBSA-N	-1	0	336.731	2.710	40	5		EFBBRM
O=C([O-])[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1	ZINC000004904750	471478560	/nfs/dbraw/zinc/47/85/60/471478560.db2.gz	SZMJJXCSDFKLAQ-CYBMUJFWSA-N	-1	0	328.324	2.867	40	5		EFBBRM
Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000013053746	471814213	/nfs/dbraw/zinc/81/42/13/471814213.db2.gz	AIWRPLGFRRMRIB-UHFFFAOYSA-N	-1	0	344.323	2.927	40	5		EFBBRM
Cc1nnc(Sc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000016363447	471932671	/nfs/dbraw/zinc/93/26/71/471932671.db2.gz	HINVDKBCPWTIMM-UHFFFAOYSA-N	-1	0	342.314	2.512	40	5		EFBBRM
Cc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000034921385	471992878	/nfs/dbraw/zinc/99/28/78/471992878.db2.gz	NYOPBMUGCVJTKD-UHFFFAOYSA-N	-1	0	331.353	2.736	40	5		EFBBRM
O=C(/C=C/c1cccs1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036092508	471999438	/nfs/dbraw/zinc/99/94/38/471999438.db2.gz	PXARLEQJOOQKOW-GQCTYLIASA-N	-1	0	349.393	2.888	40	5		EFBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F	ZINC000036541000	472001759	/nfs/dbraw/zinc/00/17/59/472001759.db2.gz	UTKLRCDFZANWEL-UHFFFAOYSA-N	-1	0	335.316	2.566	40	5		EFBBRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000069674486	472395218	/nfs/dbraw/zinc/39/52/18/472395218.db2.gz	POLQWZJJIOSXGV-UHFFFAOYSA-N	-1	0	327.749	2.752	40	5		EFBBRM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000069674452	472395390	/nfs/dbraw/zinc/39/53/90/472395390.db2.gz	ACOQZMNRSVYNLA-UHFFFAOYSA-N	-1	0	327.749	2.752	40	5		EFBBRM
CCOc1ccc(Cl)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000108069948	472999272	/nfs/dbraw/zinc/99/92/72/472999272.db2.gz	FOZIMNILJVTJGS-UTCJRWHESA-N	-1	0	337.719	2.606	40	5		EFBBRM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2nccs2)CC1	ZINC000239352074	474545531	/nfs/dbraw/zinc/54/55/31/474545531.db2.gz	AAZMHDVUASGDSH-UHFFFAOYSA-N	-1	0	333.369	2.777	40	5		EFBBRM
CN(c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-])C1CCCCC1	ZINC000256048335	474923386	/nfs/dbraw/zinc/92/33/86/474923386.db2.gz	SGZSARFAIZKTMO-UHFFFAOYSA-N	-1	0	345.359	2.643	40	5		EFBBRM
CCCN(CCC)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256046767	474923789	/nfs/dbraw/zinc/92/37/89/474923789.db2.gz	HYLZGBFMYURCKJ-UHFFFAOYSA-N	-1	0	333.348	2.500	40	5		EFBBRM
CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c([O-])c2)[nH]c1=O	ZINC000390834174	476805160	/nfs/dbraw/zinc/80/51/60/476805160.db2.gz	TZFNFWIBGZZMSU-RMKNXTFCSA-N	-1	0	345.311	2.533	40	5		EFBBRM
Cc1c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000408547901	476967332	/nfs/dbraw/zinc/96/73/32/476967332.db2.gz	OKCNJFLJHXAPKR-UHFFFAOYSA-N	-1	0	349.368	2.527	40	5		EFBBRM
O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccccn2)n1	ZINC000408583421	476968355	/nfs/dbraw/zinc/96/83/55/476968355.db2.gz	ULUNUWMLXCXPGP-UHFFFAOYSA-N	-1	0	327.325	2.739	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H](c2ccccc2[N+](=O)[O-])C1	ZINC000102243754	304035786	/nfs/dbraw/zinc/03/57/86/304035786.db2.gz	FSLXUNLBAZAXSB-HNNXBMFYSA-N	-1	0	336.307	2.928	40	5		EFBBRM
O=C([O-])CSc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000408675849	242555096	/nfs/dbraw/zinc/55/50/96/242555096.db2.gz	BTBKNSJYQXCUDO-UHFFFAOYSA-N	-1	0	346.364	2.953	40	5		EFBBRM
COc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020142493	212105679	/nfs/dbraw/zinc/10/56/79/212105679.db2.gz	INRCRBQBQJPBRR-UHFFFAOYSA-N	-1	0	346.295	2.568	40	5		EFBBRM
CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000078773339	217117096	/nfs/dbraw/zinc/11/70/96/217117096.db2.gz	FDMNOZYVGKLEBE-UHFFFAOYSA-N	-1	0	327.387	2.523	40	5		EFBBRM
CCOc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000059484167	286557962	/nfs/dbraw/zinc/55/79/62/286557962.db2.gz	IGDRBHWFNMUKFY-UHFFFAOYSA-N	-1	0	333.347	2.578	40	5		EFBBRM
Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000014253979	471867104	/nfs/dbraw/zinc/86/71/04/471867104.db2.gz	FVTQGGBELQPAIY-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1	ZINC000121834948	472926453	/nfs/dbraw/zinc/92/64/53/472926453.db2.gz	ZDFCTCILHQHZCN-UHFFFAOYSA-N	-1	0	344.352	2.581	40	5		EFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000170932898	473649972	/nfs/dbraw/zinc/64/99/72/473649972.db2.gz	XXSYWAPUTCYWFZ-UHFFFAOYSA-N	-1	0	340.332	2.852	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2F)CC1	ZINC000222633570	474173468	/nfs/dbraw/zinc/17/34/68/474173468.db2.gz	IGBSEHACGIHEAF-UHFFFAOYSA-N	-1	0	345.330	2.759	40	5		EFBBRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000223691516	474189287	/nfs/dbraw/zinc/18/92/87/474189287.db2.gz	GUGMRGBXQOMHCQ-UHFFFAOYSA-N	-1	0	340.332	2.852	40	5		EFBBRM
O=C([O-])CCSc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000224973066	474200984	/nfs/dbraw/zinc/20/09/84/474200984.db2.gz	YIHXBSDNAXHUFW-UHFFFAOYSA-N	-1	0	328.737	2.600	40	5		EFBBRM
CC[C@H](Sc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1)C(=O)[O-]	ZINC000224976461	474201306	/nfs/dbraw/zinc/20/13/06/474201306.db2.gz	QXBSBFUBEPAECI-VIFPVBQESA-N	-1	0	342.764	2.989	40	5		EFBBRM
CCCN(CCC)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256048958	474925357	/nfs/dbraw/zinc/92/53/57/474925357.db2.gz	XJBMIRJJQBQLSM-UHFFFAOYSA-N	-1	0	333.348	2.500	40	5		EFBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1	ZINC000408916479	476973619	/nfs/dbraw/zinc/97/36/19/476973619.db2.gz	CZGBIOMDMVOROB-UXBLZVDNSA-N	-1	0	333.687	2.689	40	5		EFBBRM
CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000409237268	476981326	/nfs/dbraw/zinc/98/13/26/476981326.db2.gz	HPQYTZOFIBCASP-IZZDOVSWSA-N	-1	0	338.341	2.755	40	5		EFBBRM
CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1	ZINC000004241632	210150016	/nfs/dbraw/zinc/15/00/16/210150016.db2.gz	XZSAMWCPQNCJPS-NWDGAFQWSA-N	-1	0	336.344	2.630	40	5		EFBBRM
O=c1nc(C(F)(F)F)cc(C=Cc2cccc([N+](=O)[O-])c2[O-])[nH]1	ZINC000408720516	242557165	/nfs/dbraw/zinc/55/71/65/242557165.db2.gz	SNWFRTCEAVLERM-SNAWJCMRSA-N	-1	0	327.218	2.985	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1[N-]c1ccccc1F	ZINC000004922966	210323626	/nfs/dbraw/zinc/32/36/26/210323626.db2.gz	JLTQEXQRNWPWHJ-UHFFFAOYSA-N	-1	0	349.709	2.950	40	5		EFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1	ZINC000016098908	304810460	/nfs/dbraw/zinc/81/04/60/304810460.db2.gz	PCKWMWBBJCBULJ-UHFFFAOYSA-N	-1	0	347.396	2.996	40	5		EFBBRM
O=c1cc([O-])n(-c2cccc([N+](=O)[O-])c2)c(=S)n1-c1ccccc1	ZINC000000045682	471318435	/nfs/dbraw/zinc/31/84/35/471318435.db2.gz	MKBNMUIVYPZBIR-UHFFFAOYSA-N	-1	0	341.348	2.650	40	5		EFBBRM
O=[N+]([O-])c1cccc([C@H](NCc2cccs2)[P@](=O)([O-])O)c1	ZINC000012949548	471808372	/nfs/dbraw/zinc/80/83/72/471808372.db2.gz	OVXMVPVXNXFLAY-GFCCVEGCSA-N	-1	0	328.286	2.622	40	5		EFBBRM
CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013166959	471819167	/nfs/dbraw/zinc/81/91/67/471819167.db2.gz	WGRDVPGVXLAYKI-UHFFFAOYSA-N	-1	0	330.296	2.944	40	5		EFBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000020140923	471986602	/nfs/dbraw/zinc/98/66/02/471986602.db2.gz	IGCSYCHEINKEAR-UHFFFAOYSA-N	-1	0	330.296	2.862	40	5		EFBBRM
O=C(/C=C/c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000034921099	471993201	/nfs/dbraw/zinc/99/32/01/471993201.db2.gz	XCXZISZBFBMYMD-RMKNXTFCSA-N	-1	0	343.364	2.827	40	5		EFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000032143775	472415986	/nfs/dbraw/zinc/41/59/86/472415986.db2.gz	RGTGKPWRLPUHME-UHFFFAOYSA-N	-1	0	340.332	2.852	40	5		EFBBRM
Cc1nc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ncc1C(=O)[O-]	ZINC000225403835	474208836	/nfs/dbraw/zinc/20/88/36/474208836.db2.gz	VCCQVJGOWAKDKH-UHFFFAOYSA-N	-1	0	328.328	2.659	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000102243742	219191944	/nfs/dbraw/zinc/19/19/44/219191944.db2.gz	PXMPCSWHAOTYCA-HNNXBMFYSA-N	-1	0	336.307	2.928	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1[N-]c1cccc(F)c1	ZINC000004923568	210325978	/nfs/dbraw/zinc/32/59/78/210325978.db2.gz	NWYJSUSPRMUTJP-UHFFFAOYSA-N	-1	0	349.709	2.950	40	5		EFBBRM
Cc1cccc([N-]c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c1C	ZINC000004821918	210287852	/nfs/dbraw/zinc/28/78/52/210287852.db2.gz	WFZRDMGNFCZUOW-UHFFFAOYSA-N	-1	0	325.328	2.774	40	5		EFBBRM
N[C@@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095534045	473223432	/nfs/dbraw/zinc/22/34/32/473223432.db2.gz	ORROSKRLYBAYTA-CYBMUJFWSA-N	-1	0	345.746	2.787	40	5		EFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1	ZINC000096408034	473385726	/nfs/dbraw/zinc/38/57/26/473385726.db2.gz	XKMDKFBXAGCDMQ-UHFFFAOYSA-N	-1	0	347.274	2.809	40	5		EFBBRM
Cc1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000005260089	471496731	/nfs/dbraw/zinc/49/67/31/471496731.db2.gz	BUMJFWJJWSHDPR-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
O=[N+]([O-])c1ccc([C@@H](NCc2ccc(F)cc2)[P@](=O)([O-])O)cc1	ZINC000012949490	471808318	/nfs/dbraw/zinc/80/83/18/471808318.db2.gz	JJVRQNFWIUPJSX-AWEZNQCLSA-N	-1	0	340.247	2.700	40	5		EFBBRM
O=C([O-])Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000013439890	471829409	/nfs/dbraw/zinc/82/94/09/471829409.db2.gz	HMOLWYWNSVUTGJ-RMKNXTFCSA-N	-1	0	326.308	2.874	40	5		EFBBRM
COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OCC(=O)[O-]	ZINC000013483791	471830337	/nfs/dbraw/zinc/83/03/37/471830337.db2.gz	NBBNPXWZSTZATL-SREVYHEPSA-N	-1	0	334.284	2.534	40	5		EFBBRM
C[C@@H](Sc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1)C(=O)[O-]	ZINC000224974521	474201414	/nfs/dbraw/zinc/20/14/14/474201414.db2.gz	BHGIKLLSQPLDQB-RXMQYKEDSA-N	-1	0	328.737	2.599	40	5		EFBBRM
O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1	ZINC000408917528	476975860	/nfs/dbraw/zinc/97/58/60/476975860.db2.gz	WHQIULULPANQPZ-POHAHGRESA-N	-1	0	333.687	2.689	40	5		EFBBRM
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F	ZINC000055619173	214334511	/nfs/dbraw/zinc/33/45/11/214334511.db2.gz	MWMFZFQSMDXPPZ-UHFFFAOYSA-N	-1	0	326.305	2.543	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000019936433	202028044	/nfs/dbraw/zinc/02/80/44/202028044.db2.gz	PMWAKHNMFUYTJR-UHFFFAOYSA-N	-1	0	349.324	2.551	40	5		EFBBRM
CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000020142452	202034408	/nfs/dbraw/zinc/03/44/08/202034408.db2.gz	UBNBOWUYMQBVFF-UHFFFAOYSA-N	-1	0	346.295	2.650	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1[N-]c1ccccc1	ZINC000004822370	201620267	/nfs/dbraw/zinc/62/02/67/201620267.db2.gz	UOWBWLRGGLCQKP-UHFFFAOYSA-N	-1	0	331.719	2.811	40	5		EFBBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2NC(=O)[N-]C2=O)o1	ZINC000000520868	206239841	/nfs/dbraw/zinc/23/98/41/206239841.db2.gz	AIOGFLYPTJBIDR-YRNVUSSQSA-N	-1	0	329.268	2.884	40	5		EFBBRM
O=[N+]([O-])c1ccc([C@H](NCc2ccc(F)cc2)[P@](=O)([O-])O)cc1	ZINC000012949485	207266399	/nfs/dbraw/zinc/26/63/99/207266399.db2.gz	JJVRQNFWIUPJSX-CQSZACIVSA-N	-1	0	340.247	2.700	40	5		EFBBRM
Cc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C	ZINC000013187220	207363471	/nfs/dbraw/zinc/36/34/71/207363471.db2.gz	UIWUTPUESKQIFU-UHFFFAOYSA-N	-1	0	344.323	2.927	40	5		EFBBRM
Cc1noc(C)c1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000096502859	218880481	/nfs/dbraw/zinc/88/04/81/218880481.db2.gz	BKEPCPAEGGAAFN-UHFFFAOYSA-N	-1	0	325.708	2.740	40	5		EFBBRM
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCc1occc1-2	ZINC000004228134	304284418	/nfs/dbraw/zinc/28/44/18/304284418.db2.gz	GGADBEAEWNPDOB-UHFFFAOYSA-N	-1	0	325.280	2.837	40	5		EFBBRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1[N+](=O)[O-]	ZINC000003848120	471455374	/nfs/dbraw/zinc/45/53/74/471455374.db2.gz	FPJXGNUIVQBVAB-AWEZNQCLSA-N	-1	0	344.323	2.517	40	5		EFBBRM
CC(=O)Nc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000004716819	471472656	/nfs/dbraw/zinc/47/26/56/471472656.db2.gz	REGIPKAUOAQXHR-UHFFFAOYSA-N	-1	0	349.368	2.662	40	5		EFBBRM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000006316540	471540915	/nfs/dbraw/zinc/54/09/15/471540915.db2.gz	WCANRCRFCKRJFS-UHFFFAOYSA-N	-1	0	338.316	2.737	40	5		EFBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020140961	471987382	/nfs/dbraw/zinc/98/73/82/471987382.db2.gz	LGAMEMAQYXSJNO-UHFFFAOYSA-N	-1	0	330.296	2.862	40	5		EFBBRM
Cc1nc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1[N+](=O)[O-]	ZINC000194678044	473937652	/nfs/dbraw/zinc/93/76/52/473937652.db2.gz	MIHHKCIRACPMIW-UHFFFAOYSA-N	-1	0	343.311	2.518	40	5		EFBBRM
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)[O-]	ZINC000408543631	476967310	/nfs/dbraw/zinc/96/73/10/476967310.db2.gz	PNPJNDRTGCJPQI-ALCCZGGFSA-N	-1	0	348.311	2.924	40	5		EFBBRM
O=C1N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1C1CCCCC1	ZINC000409081063	476977394	/nfs/dbraw/zinc/97/73/94/476977394.db2.gz	JMCFDWZOBBVOAY-WQLSENKSSA-N	-1	0	331.328	2.526	40	5		EFBBRM
O=C([O-])CCC(=O)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1	ZINC000001705725	209783792	/nfs/dbraw/zinc/78/37/92/209783792.db2.gz	RHJQEEXCASLPNZ-UHFFFAOYSA-N	-1	0	344.323	2.977	40	5		EFBBRM
C[C@@H](OC(C)(C)C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000255189451	244048846	/nfs/dbraw/zinc/04/88/46/244048846.db2.gz	PXVAEELNASQZEJ-SKDRFNHKSA-N	-1	0	328.390	2.848	40	5		EFBBRM
Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020145199	212105725	/nfs/dbraw/zinc/10/57/25/212105725.db2.gz	BTDJPWXKDWLXEV-AATRIKPKSA-N	-1	0	342.307	2.959	40	5		EFBBRM
O=c1[nH]c(C=Cc2ccc(Cl)cc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000009234895	211056524	/nfs/dbraw/zinc/05/65/24/211056524.db2.gz	ZVVCKXSOUUNFLV-DUXPYHPUSA-N	-1	0	328.111	2.861	40	5		EFBBRM
COc1ccc(-c2cn3c(C)c(C(=O)[O-])sc3n2)cc1[N+](=O)[O-]	ZINC000095095773	218280982	/nfs/dbraw/zinc/28/09/82/218280982.db2.gz	NOGHFYGOPDEFBQ-UHFFFAOYSA-N	-1	0	333.325	2.986	40	5		EFBBRM
CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000004976856	210347100	/nfs/dbraw/zinc/34/71/00/210347100.db2.gz	GDLDONBYPGBZQO-UHFFFAOYSA-N	-1	0	330.296	2.944	40	5		EFBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000020141002	257856558	/nfs/dbraw/zinc/85/65/58/257856558.db2.gz	OVFAWOSXOZOUCG-UHFFFAOYSA-N	-1	0	330.296	2.862	40	5		EFBBRM
Cc1cnc([C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)s1	ZINC000097236982	323214259	/nfs/dbraw/zinc/21/42/59/323214259.db2.gz	ZRAZNKKGPLZEGI-CYBMUJFWSA-N	-1	0	333.369	2.946	40	5		EFBBRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003096497	471431465	/nfs/dbraw/zinc/43/14/65/471431465.db2.gz	WIVIBAYEYWRCMI-HYRRULHTSA-N	-1	0	336.731	2.710	40	5		EFBBRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003096499	471431863	/nfs/dbraw/zinc/43/18/63/471431863.db2.gz	WIVIBAYEYWRCMI-XXHBBNRNSA-N	-1	0	336.731	2.710	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005260182	471496350	/nfs/dbraw/zinc/49/63/50/471496350.db2.gz	VKEPEKHHQPOYKO-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000010302038	471732622	/nfs/dbraw/zinc/73/26/22/471732622.db2.gz	DUSIYJONGQAUHM-UHFFFAOYSA-N	-1	0	326.305	2.543	40	5		EFBBRM
CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000014257537	471867010	/nfs/dbraw/zinc/86/70/10/471867010.db2.gz	AUBJEFLWTAZJSC-UHFFFAOYSA-N	-1	0	345.380	2.990	40	5		EFBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1O	ZINC000020141054	471987294	/nfs/dbraw/zinc/98/72/94/471987294.db2.gz	PLSYMUCJJBYCRQ-UHFFFAOYSA-N	-1	0	336.687	2.904	40	5		EFBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc12	ZINC000033936254	471987618	/nfs/dbraw/zinc/98/76/18/471987618.db2.gz	JDHXDHJPWQAPOE-VURMDHGXSA-N	-1	0	339.307	2.716	40	5		EFBBRM
CCc1nc(SC(=Cc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000038423248	472019052	/nfs/dbraw/zinc/01/90/52/472019052.db2.gz	FIDIFJWKHBEDDK-YRNVUSSQSA-N	-1	0	334.357	2.802	40	5		EFBBRM
CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cn1	ZINC000097097407	472444817	/nfs/dbraw/zinc/44/48/17/472444817.db2.gz	WVUUYCPZOWFWGE-UHFFFAOYSA-N	-1	0	344.371	2.537	40	5		EFBBRM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000101419362	219126808	/nfs/dbraw/zinc/12/68/08/219126808.db2.gz	UDJFMZPXZWVGJY-UHFFFAOYSA-N	-1	0	339.355	2.792	40	5		EFBBRM
O=C([O-])c1c(C(=O)Nc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-]	ZINC000004539632	304216928	/nfs/dbraw/zinc/21/69/28/304216928.db2.gz	MFWHAMTYYRMTOI-UHFFFAOYSA-N	-1	0	347.352	2.881	40	5		EFBBRM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000005342779	210444409	/nfs/dbraw/zinc/44/44/09/210444409.db2.gz	RXWBAHLYXZPGLZ-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000005003094	210357050	/nfs/dbraw/zinc/35/70/50/210357050.db2.gz	QYDWNEGQVSNXKP-UHFFFAOYSA-N	-1	0	345.267	2.762	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1[N-]c1cccc(Cl)c1	ZINC000004922466	210323662	/nfs/dbraw/zinc/32/36/62/210323662.db2.gz	SNQNNYCRMYMPEX-UHFFFAOYSA-N	-1	0	331.719	2.811	40	5		EFBBRM
CCn1nc(C)c([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C	ZINC000097370375	219015867	/nfs/dbraw/zinc/01/58/67/219015867.db2.gz	VKPQBTDQRGBWSI-UHFFFAOYSA-N	-1	0	344.418	2.637	40	5		EFBBRM
O=C([O-])c1conc1[C@@H](O[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000504522838	257714010	/nfs/dbraw/zinc/71/40/10/257714010.db2.gz	FMMFUXMCEPVODC-ZFWWWQNUSA-N	-1	0	348.311	2.914	40	5		EFBBRM
O=C([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000100477864	258068802	/nfs/dbraw/zinc/06/88/02/258068802.db2.gz	KNYRNCLWUUOMTQ-UHFFFAOYSA-N	-1	0	332.228	2.664	40	5		EFBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005342095	471501554	/nfs/dbraw/zinc/50/15/54/471501554.db2.gz	BSMGLWLOVYYCNM-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000013166195	471818731	/nfs/dbraw/zinc/81/87/31/471818731.db2.gz	KEJSKUGPZOJMBY-UHFFFAOYSA-N	-1	0	334.715	2.876	40	5		EFBBRM
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O	ZINC000020141093	471987052	/nfs/dbraw/zinc/98/70/52/471987052.db2.gz	OKHNGPMJFNWSKO-UHFFFAOYSA-N	-1	0	336.687	2.904	40	5		EFBBRM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(C(=O)[O-])c1O	ZINC000020141014	471987194	/nfs/dbraw/zinc/98/71/94/471987194.db2.gz	GWZNLBNZUQJNOL-UHFFFAOYSA-N	-1	0	330.296	2.868	40	5		EFBBRM
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1O	ZINC000020141091	471987374	/nfs/dbraw/zinc/98/73/74/471987374.db2.gz	CBMDAZKJIZNKSO-UHFFFAOYSA-N	-1	0	336.687	2.904	40	5		EFBBRM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1cccc([N+](=O)[O-])c1	ZINC000101311702	472531237	/nfs/dbraw/zinc/53/12/37/472531237.db2.gz	FDOXXRVPFZEDHI-UHFFFAOYSA-N	-1	0	339.355	2.792	40	5		EFBBRM
CCCc1nc(SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000213380738	474134344	/nfs/dbraw/zinc/13/43/44/474134344.db2.gz	VJTKZZNSLKIXEI-FLIBITNWSA-N	-1	0	334.357	2.883	40	5		EFBBRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000223691335	474188044	/nfs/dbraw/zinc/18/80/44/474188044.db2.gz	IMTMJHHRFXHZAJ-UHFFFAOYSA-N	-1	0	340.332	2.852	40	5		EFBBRM
CC[C@@H]1CCCCN1c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256048307	474923668	/nfs/dbraw/zinc/92/36/68/474923668.db2.gz	SBWGUTGGLAHCLK-LLVKDONJSA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=Cc1ccc(Sc2n[nH]c(-c3ccccn3)n2)c([N+](=O)[O-])c1	ZINC000408584066	476968659	/nfs/dbraw/zinc/96/86/59/476968659.db2.gz	ZVKCMYDIFAYBPD-UHFFFAOYSA-N	-1	0	327.325	2.739	40	5		EFBBRM
O=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)S1	ZINC000408812444	476973922	/nfs/dbraw/zinc/97/39/22/476973922.db2.gz	MXUWKRYCIXQUTN-SDQBBNPISA-N	-1	0	332.293	2.884	40	5		EFBBRM
O=C([O-])Cn1c(COc2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000023528974	212381534	/nfs/dbraw/zinc/38/15/34/212381534.db2.gz	QEFXHQMWSYZJLJ-UHFFFAOYSA-N	-1	0	327.296	2.608	40	5		EFBBRM
Cc1cccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1	ZINC000013187238	211533727	/nfs/dbraw/zinc/53/37/27/211533727.db2.gz	GICYDOQIYQBVPR-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])c1nc3cc([N+](=O)[O-])ccc3nc12	ZINC000000531187	281463280	/nfs/dbraw/zinc/46/32/80/281463280.db2.gz	HWUDCJQHSCEQFZ-DLBZAZTESA-N	-1	0	327.340	2.952	40	5		EFBBRM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2	ZINC000003077778	462610494	/nfs/dbraw/zinc/61/04/94/462610494.db2.gz	LJMOKJKFUXGMOM-UHFFFAOYSA-N	-1	0	339.398	2.731	40	5		EFBBRM
O=C([O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1	ZINC000001705732	471396751	/nfs/dbraw/zinc/39/67/51/471396751.db2.gz	NVZYVUZHKGEOEP-UHFFFAOYSA-N	-1	0	330.296	2.587	40	5		EFBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005260117	471496578	/nfs/dbraw/zinc/49/65/78/471496578.db2.gz	WCUGPZSDLFZIMP-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000005681250	471515909	/nfs/dbraw/zinc/51/59/09/471515909.db2.gz	HUCDIXPOOIPHTC-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
COc1ccc(Oc2cc([N+](=O)[O-])ccc2[N-]S(C)(=O)=O)cc1	ZINC000034007650	471988630	/nfs/dbraw/zinc/98/86/30/471988630.db2.gz	OBTVYILXIRNVAP-UHFFFAOYSA-N	-1	0	338.341	2.767	40	5		EFBBRM
Cc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000034931393	471992536	/nfs/dbraw/zinc/99/25/36/471992536.db2.gz	BSVOJQRGEJQWNO-UHFFFAOYSA-N	-1	0	331.353	2.736	40	5		EFBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000034932125	471992615	/nfs/dbraw/zinc/99/26/15/471992615.db2.gz	GBJVRVPJHURINA-UHFFFAOYSA-N	-1	0	335.316	2.566	40	5		EFBBRM
CC[C@H]1CCCCN1c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256046234	474923103	/nfs/dbraw/zinc/92/31/03/474923103.db2.gz	DQPMMIXTBMLXET-NSHDSACASA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=C(Nc1ccccc1[N+](=O)[O-])c1c(=O)oc2ccccc2c1[O-]	ZINC000026330966	304009157	/nfs/dbraw/zinc/00/91/57/304009157.db2.gz	XTFJRDPMTYLESI-UHFFFAOYSA-N	-1	0	326.264	2.659	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2ccccc2[N+](=O)[O-])C1	ZINC000102243759	304036176	/nfs/dbraw/zinc/03/61/76/304036176.db2.gz	FSLXUNLBAZAXSB-OAHLLOKOSA-N	-1	0	336.307	2.928	40	5		EFBBRM
COc1ccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-]	ZINC000216959320	241226627	/nfs/dbraw/zinc/22/66/27/241226627.db2.gz	QELFMNBTTGAKNI-UHFFFAOYSA-N	-1	0	340.291	2.945	40	5		EFBBRM
C[C@H](OC(C)(C)C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000255189449	244047821	/nfs/dbraw/zinc/04/78/21/244047821.db2.gz	PXVAEELNASQZEJ-CABZTGNLSA-N	-1	0	328.390	2.848	40	5		EFBBRM
Cc1cccc(C)c1NC(=O)C(=O)C=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000102953096	204055664	/nfs/dbraw/zinc/05/56/64/204055664.db2.gz	PVBYZAKVTVJSOI-UHFFFAOYSA-N	-1	0	340.335	2.992	40	5		EFBBRM
Cc1sc(N2CCOCC2)nc1-c1cc(C)cc([N+](=O)[O-])c1[O-]	ZINC000035188762	302880375	/nfs/dbraw/zinc/88/03/75/302880375.db2.gz	FWWPLNYTEHJDLW-UHFFFAOYSA-N	-1	0	335.385	2.877	40	5		EFBBRM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000000236200	471338687	/nfs/dbraw/zinc/33/86/87/471338687.db2.gz	MMDQOWJHPOTBNQ-UHFFFAOYSA-N	-1	0	349.393	2.736	40	5		EFBBRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1[N+](=O)[O-]	ZINC000003848122	471455131	/nfs/dbraw/zinc/45/51/31/471455131.db2.gz	FPJXGNUIVQBVAB-CQSZACIVSA-N	-1	0	344.323	2.517	40	5		EFBBRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000003913783	471457268	/nfs/dbraw/zinc/45/72/68/471457268.db2.gz	KOCALSLUENBTBQ-UHFFFAOYSA-N	-1	0	346.339	2.965	40	5		EFBBRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004760048	471473848	/nfs/dbraw/zinc/47/38/48/471473848.db2.gz	WIVIBAYEYWRCMI-HTEOGMQZSA-N	-1	0	336.731	2.710	40	5		EFBBRM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3cccc(F)c3)[n+]2[O-])c1	ZINC000004922559	471478907	/nfs/dbraw/zinc/47/89/07/471478907.db2.gz	PZPUOKMIESLEJF-UHFFFAOYSA-N	-1	0	329.291	2.605	40	5		EFBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005277066	471497922	/nfs/dbraw/zinc/49/79/22/471497922.db2.gz	LUHNXVCFTVHAFI-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
Cc1cc(NC(=O)/C(Cl)=C(\Cl)C(=O)[O-])c([N+](=O)[O-])cc1C	ZINC000016952817	471951582	/nfs/dbraw/zinc/95/15/82/471951582.db2.gz	SGVBEYUTOBJSRV-MDZDMXLPSA-N	-1	0	333.127	2.924	40	5		EFBBRM
O=c1[nH]c(C=Cc2cccc(Cl)c2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000035079780	471993751	/nfs/dbraw/zinc/99/37/51/471993751.db2.gz	IZLHWUQBBTYPFI-PLNGDYQASA-N	-1	0	328.111	2.861	40	5		EFBBRM
CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1	ZINC000096469252	473436071	/nfs/dbraw/zinc/43/60/71/473436071.db2.gz	OBSRXEJNILIYHU-UHFFFAOYSA-N	-1	0	344.780	2.896	40	5		EFBBRM
CC[C@@H]1CCCCN1c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256045659	474923092	/nfs/dbraw/zinc/92/30/92/474923092.db2.gz	AIDQIMMQJMSUTD-LLVKDONJSA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000326662408	475009106	/nfs/dbraw/zinc/00/91/06/475009106.db2.gz	FSYORPPXPWIJSF-UHFFFAOYSA-N	-1	0	345.330	2.759	40	5		EFBBRM
COc1ccccc1OCCNc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000408712621	476971284	/nfs/dbraw/zinc/97/12/84/476971284.db2.gz	CERUPGODJOBYHU-UHFFFAOYSA-N	-1	0	332.312	2.793	40	5		EFBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1	ZINC000408917412	476974304	/nfs/dbraw/zinc/97/43/04/476974304.db2.gz	UCASSUYVUKFFJG-IZZDOVSWSA-N	-1	0	333.687	2.689	40	5		EFBBRM
O=c1[nH]c(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409341464	476981356	/nfs/dbraw/zinc/98/13/56/476981356.db2.gz	BBNSYROPVBKTLJ-DUXPYHPUSA-N	-1	0	338.663	2.528	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000409376807	476982505	/nfs/dbraw/zinc/98/25/05/476982505.db2.gz	BIILFNBLNCQKHN-UHFFFAOYSA-N	-1	0	345.267	2.762	40	5		EFBBRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1C	ZINC000055555660	214329625	/nfs/dbraw/zinc/32/96/25/214329625.db2.gz	GKRFNODWPRKVPW-UHFFFAOYSA-N	-1	0	340.332	2.852	40	5		EFBBRM
CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004539648	210216987	/nfs/dbraw/zinc/21/69/87/210216987.db2.gz	SBFBXDILSOPBAM-UHFFFAOYSA-N	-1	0	330.296	2.944	40	5		EFBBRM
Nc1ccc2c(c1)oc1c(F)c(F)cc3c(=O)c(C(=O)[O-])cn2c31	ZINC000001630752	209771592	/nfs/dbraw/zinc/77/15/92/209771592.db2.gz	NOZQIQAUUCNHJI-UHFFFAOYSA-N	-1	0	330.246	2.758	40	5		EFBBRM
O=C([O-])CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001752389	304072826	/nfs/dbraw/zinc/07/28/26/304072826.db2.gz	YNNGGTUSAOUEHJ-UHFFFAOYSA-N	-1	0	326.208	2.699	40	5		EFBBRM
CSc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1	ZINC000078556801	217076767	/nfs/dbraw/zinc/07/67/67/217076767.db2.gz	YGPATOPLQOSQHU-UHFFFAOYSA-N	-1	0	325.371	2.513	40	5		EFBBRM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cnc1Cl	ZINC000078770382	217117715	/nfs/dbraw/zinc/11/77/15/217117715.db2.gz	NTRCVHBERJRKRL-UHFFFAOYSA-N	-1	0	345.739	2.892	40	5		EFBBRM
Cc1cnc([C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)s1	ZINC000097236983	323214434	/nfs/dbraw/zinc/21/44/34/323214434.db2.gz	ZRAZNKKGPLZEGI-ZDUSSCGKSA-N	-1	0	333.369	2.946	40	5		EFBBRM
O=C(c1cc(F)c([O-])c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000097377193	323214920	/nfs/dbraw/zinc/21/49/20/323214920.db2.gz	RVPKQRIHIDPLOW-UHFFFAOYSA-N	-1	0	334.278	2.777	40	5		EFBBRM
CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000059010997	472621822	/nfs/dbraw/zinc/62/18/22/472621822.db2.gz	XBIBZGGYBZDKCO-UHFFFAOYSA-N	-1	0	342.402	2.545	40	5		EFBBRM
N[C@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095534044	473223712	/nfs/dbraw/zinc/22/37/12/473223712.db2.gz	ORROSKRLYBAYTA-ZDUSSCGKSA-N	-1	0	345.746	2.787	40	5		EFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1	ZINC000096408033	473386172	/nfs/dbraw/zinc/38/61/72/473386172.db2.gz	HGBHPKYOTLYLRX-UHFFFAOYSA-N	-1	0	347.274	2.809	40	5		EFBBRM
CCOC(=O)C(=O)Cc1cc(Br)c(OC)cc1[N+](=O)[O-]	ZINC000001725959	471396229	/nfs/dbraw/zinc/39/62/29/471396229.db2.gz	OTMRUOWCZFAQJW-YHYXMXQVSA-N	-1	0	346.133	2.828	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000005598822	471512468	/nfs/dbraw/zinc/51/24/68/471512468.db2.gz	YYYIOWCPVKCPQP-UHFFFAOYSA-N	-1	0	337.313	2.612	40	5		EFBBRM
O=[N+]([O-])c1cccc([C@@H](NCc2cccs2)[P@](=O)([O-])O)c1	ZINC000012949551	471808036	/nfs/dbraw/zinc/80/80/36/471808036.db2.gz	OVXMVPVXNXFLAY-LBPRGKRZSA-N	-1	0	328.286	2.622	40	5		EFBBRM
O=C([O-])c1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000013166257	471819484	/nfs/dbraw/zinc/81/94/84/471819484.db2.gz	WSCNSHHFAWWBFZ-RMKNXTFCSA-N	-1	0	326.308	2.623	40	5		EFBBRM
O=c1c2cc([N+](=O)[O-])ccc2[n-]c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	ZINC000017297487	471959894	/nfs/dbraw/zinc/95/98/94/471959894.db2.gz	PBNVLYWYPMIGTP-UHFFFAOYSA-N	-1	0	330.212	2.818	40	5		EFBBRM
CCc1nc(Sc2c(Cl)cc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1	ZINC000070462483	472498576	/nfs/dbraw/zinc/49/85/76/472498576.db2.gz	OCSBAXSATVWDHC-UHFFFAOYSA-N	-1	0	328.737	2.778	40	5		EFBBRM
Cc1nccn1CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000096502858	473454950	/nfs/dbraw/zinc/45/49/50/473454950.db2.gz	BOBNLHRBZYYZHZ-UHFFFAOYSA-N	-1	0	338.751	2.878	40	5		EFBBRM
CC[C@@H](Sc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1)C(=O)[O-]	ZINC000224976421	474200933	/nfs/dbraw/zinc/20/09/33/474200933.db2.gz	QXBSBFUBEPAECI-SECBINFHSA-N	-1	0	342.764	2.989	40	5		EFBBRM
CC[C@H]1CCCCN1c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256045660	474923290	/nfs/dbraw/zinc/92/32/90/474923290.db2.gz	AIDQIMMQJMSUTD-NSHDSACASA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])ccc2[O-])[nH]1	ZINC000408720462	476972625	/nfs/dbraw/zinc/97/26/25/476972625.db2.gz	PTOUZCLVEONOHM-OWOJBTEDSA-N	-1	0	327.218	2.985	40	5		EFBBRM
Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c(F)cc1[N+](=O)[O-]	ZINC000585141082	479298977	/nfs/dbraw/zinc/29/89/77/479298977.db2.gz	OXPJMVFSBAUXLE-UHFFFAOYSA-N	-1	0	342.352	2.621	40	5		EFBBRM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1F	ZINC000585141859	479299918	/nfs/dbraw/zinc/29/99/18/479299918.db2.gz	ZTJMEPRPVRTJAY-UHFFFAOYSA-N	-1	0	342.352	2.621	40	5		EFBBRM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])C1	ZINC000054965228	214261243	/nfs/dbraw/zinc/26/12/43/214261243.db2.gz	XZSAMWCPQNCJPS-NEPJUHHUSA-N	-1	0	336.344	2.630	40	5		EFBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000013390900	211554656	/nfs/dbraw/zinc/55/46/56/211554656.db2.gz	KPRQRFPDCPPKBW-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000013170014	211532648	/nfs/dbraw/zinc/53/26/48/211532648.db2.gz	GFUFIWZXLLWSPC-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
Cc1cc(C)cc([N-]c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c1	ZINC000004905520	210319464	/nfs/dbraw/zinc/31/94/64/210319464.db2.gz	ZALRJOXPFVTJNM-UHFFFAOYSA-N	-1	0	325.328	2.774	40	5		EFBBRM
CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000096487206	544559617	/nfs/dbraw/zinc/55/96/17/544559617.db2.gz	CONPRQGWCGPFJS-UHFFFAOYSA-N	-1	0	335.385	2.850	40	5		EFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1	ZINC000005681580	304804576	/nfs/dbraw/zinc/80/45/76/304804576.db2.gz	HXWOKTOKXJLLRZ-UHFFFAOYSA-N	-1	0	329.337	2.944	40	5	in-vivo	EFBBRM
N[C@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(Cl)cc1	ZINC000095534040	473223951	/nfs/dbraw/zinc/22/39/51/473223951.db2.gz	CUZCJIJLCBWTAZ-ZDUSSCGKSA-N	-1	0	345.746	2.787	40	5		EFBBRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-]	ZINC000006051557	471528955	/nfs/dbraw/zinc/52/89/55/471528955.db2.gz	IAAJSHMVLBGKEV-UHFFFAOYSA-N	-1	0	328.733	2.755	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000006235021	471536481	/nfs/dbraw/zinc/53/64/81/471536481.db2.gz	LFLMKDNUMBKYFX-UHFFFAOYSA-N	-1	0	349.368	2.527	40	5		EFBBRM
Cc1cc(C)cc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000013053819	471814599	/nfs/dbraw/zinc/81/45/99/471814599.db2.gz	XSASJJNQTKNZLX-UHFFFAOYSA-N	-1	0	344.323	2.927	40	5		EFBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000020139730	471987035	/nfs/dbraw/zinc/98/70/35/471987035.db2.gz	BKJZCEACUHXNFA-UHFFFAOYSA-N	-1	0	340.675	2.800	40	5		EFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1	ZINC000045774197	472459926	/nfs/dbraw/zinc/45/99/26/472459926.db2.gz	CTEOAKRMIWDANK-UHFFFAOYSA-N	-1	0	344.352	2.581	40	5		EFBBRM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccoc1Br	ZINC000194956680	473983549	/nfs/dbraw/zinc/98/35/49/473983549.db2.gz	HVLBFTVCNMAIOP-UHFFFAOYSA-N	-1	0	327.090	2.908	40	5		EFBBRM
Nc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	ZINC000195565348	474097922	/nfs/dbraw/zinc/09/79/22/474097922.db2.gz	OAXGYYBKLGKNRS-UHFFFAOYSA-N	-1	0	333.325	2.724	40	5		EFBBRM
C[C@H](OC(C)(C)C)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000255189450	474816608	/nfs/dbraw/zinc/81/66/08/474816608.db2.gz	PXVAEELNASQZEJ-JOYOIKCWSA-N	-1	0	328.390	2.848	40	5		EFBBRM
CCCN(CCC)c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256045678	474922973	/nfs/dbraw/zinc/92/29/73/474922973.db2.gz	ALXLITHWVNFPRJ-UHFFFAOYSA-N	-1	0	333.348	2.500	40	5		EFBBRM
CC[C@H]1CCCCN1c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256048308	474923656	/nfs/dbraw/zinc/92/36/56/474923656.db2.gz	SBWGUTGGLAHCLK-NSHDSACASA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=C([O-])c1ccc(CNC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1	ZINC000408965974	476975087	/nfs/dbraw/zinc/97/50/87/476975087.db2.gz	KMLKPUCFSUXEAW-UHFFFAOYSA-N	-1	0	340.291	2.969	40	5		EFBBRM
O=C([O-])c1conc1[C@@H](O[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000504522836	478852978	/nfs/dbraw/zinc/85/29/78/478852978.db2.gz	FMMFUXMCEPVODC-HIFRSBDPSA-N	-1	0	348.311	2.914	40	5		EFBBRM
CCOc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862926	242116706	/nfs/dbraw/zinc/11/67/06/242116706.db2.gz	KQQWYJQISRRDMP-UHFFFAOYSA-N	-1	0	340.332	2.933	40	5		EFBBRM
CCOc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013439984	211556854	/nfs/dbraw/zinc/55/68/54/211556854.db2.gz	GNZOITACIOZHBD-UHFFFAOYSA-N	-1	0	344.323	2.873	40	5		EFBBRM
Cc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000008306382	210930294	/nfs/dbraw/zinc/93/02/94/210930294.db2.gz	ZZDQCULEYRPTCP-HNNXBMFYSA-N	-1	0	328.324	2.849	40	5		EFBBRM
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1	ZINC000013079398	304246902	/nfs/dbraw/zinc/24/69/02/304246902.db2.gz	RLXRFTZLFRSKDB-UHFFFAOYSA-N	-1	0	345.330	2.759	40	5		EFBBRM
O=C([O-])[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1	ZINC000004904748	210317080	/nfs/dbraw/zinc/31/70/80/210317080.db2.gz	SZMJJXCSDFKLAQ-ZDUSSCGKSA-N	-1	0	328.324	2.867	40	5		EFBBRM
O=C([O-])c1conc1[C@H](O[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000504522837	257713869	/nfs/dbraw/zinc/71/38/69/257713869.db2.gz	FMMFUXMCEPVODC-UKRRQHHQSA-N	-1	0	348.311	2.914	40	5		EFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1	ZINC000003142204	462611319	/nfs/dbraw/zinc/61/13/19/462611319.db2.gz	DJVFXTUUFNPKGR-UHFFFAOYSA-N	-1	0	339.398	2.731	40	5		EFBBRM
N[C@@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(Cl)cc1	ZINC000095534041	473223751	/nfs/dbraw/zinc/22/37/51/473223751.db2.gz	CUZCJIJLCBWTAZ-CYBMUJFWSA-N	-1	0	345.746	2.787	40	5		EFBBRM
Cc1cc(-c2ccc(/C=C3/NC(=O)[N-]C3=O)o2)c([N+](=O)[O-])cc1C	ZINC000006188668	471535292	/nfs/dbraw/zinc/53/52/92/471535292.db2.gz	LUOCRKYNVSLTHB-KPKJPENVSA-N	-1	0	327.296	2.652	40	5		EFBBRM
CCCCn1c2ccccc2c2oc(=O)c([N+](=O)[O-])c([O-])c2c1=O	ZINC000006274039	471538053	/nfs/dbraw/zinc/53/80/53/471538053.db2.gz	CGMHFKNPPHKELW-UHFFFAOYSA-N	-1	0	330.296	2.522	40	5		EFBBRM
Cc1ccc(C(=O)Nc2c([O-])c3ccccc3oc2=O)cc1[N+](=O)[O-]	ZINC000016347857	471931760	/nfs/dbraw/zinc/93/17/60/471931760.db2.gz	YHAYJTFBKVUALU-UHFFFAOYSA-N	-1	0	340.291	2.968	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1	ZINC000039285732	472022759	/nfs/dbraw/zinc/02/27/59/472022759.db2.gz	PFHJMRRYUIYQTH-UHFFFAOYSA-N	-1	0	327.340	2.620	40	5		EFBBRM
C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000194665926	473935372	/nfs/dbraw/zinc/93/53/72/473935372.db2.gz	WSJWXRZFQSSBMD-SNVBAGLBSA-N	-1	0	336.373	2.563	40	5		EFBBRM
C[C@H](Sc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1)C(=O)[O-]	ZINC000224974562	474201590	/nfs/dbraw/zinc/20/15/90/474201590.db2.gz	BHGIKLLSQPLDQB-YFKPBYRVSA-N	-1	0	328.737	2.599	40	5		EFBBRM
Cc1cc(C)cc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1	ZINC000013187401	201887739	/nfs/dbraw/zinc/88/77/39/201887739.db2.gz	OIHZAFXOXBIXHE-UHFFFAOYSA-N	-1	0	344.323	2.927	40	5		EFBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(C(F)(F)F)c2)[nH]1	ZINC000033936252	212971846	/nfs/dbraw/zinc/97/18/46/212971846.db2.gz	UJWSQKZJPMKPOV-PLNGDYQASA-N	-1	0	327.218	2.573	40	5		EFBBRM
O=C([O-])c1ccc(Sc2n[nH]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406567	201185518	/nfs/dbraw/zinc/18/55/18/201185518.db2.gz	YDVSGPTTWSWIBL-UHFFFAOYSA-N	-1	0	334.235	2.581	40	5		EFBBRM
COCCCOc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1	ZINC000225561925	241928680	/nfs/dbraw/zinc/92/86/80/241928680.db2.gz	JOICVCDTXAKFFJ-UHFFFAOYSA-N	-1	0	346.339	2.968	40	5		EFBBRM
O=C([O-])c1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1O	ZINC000005673348	201660018	/nfs/dbraw/zinc/66/00/18/201660018.db2.gz	XVBXMJIJKMXHFN-UHFFFAOYSA-N	-1	0	342.263	2.849	40	5		EFBBRM
O=C([O-])c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1O	ZINC000020145197	212105566	/nfs/dbraw/zinc/10/55/66/212105566.db2.gz	JZKVSERZYLWVDK-QPJJXVBHSA-N	-1	0	328.280	2.651	40	5		EFBBRM
Cc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1	ZINC000013187270	207363931	/nfs/dbraw/zinc/36/39/31/207363931.db2.gz	MXGQEAHFAFSLJU-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1[N+](=O)[O-]	ZINC000013391255	207383702	/nfs/dbraw/zinc/38/37/02/207383702.db2.gz	APYQMTFYTWCJRW-UHFFFAOYSA-N	-1	0	330.296	2.862	40	5		EFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000041095721	472044464	/nfs/dbraw/zinc/04/44/64/472044464.db2.gz	ZETISUSVLFVNEI-UHFFFAOYSA-N	-1	0	327.749	2.752	40	5		EFBBRM
CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000003016565	471430939	/nfs/dbraw/zinc/43/09/39/471430939.db2.gz	CKRFZRDWKQYXKG-UHFFFAOYSA-N	-1	0	337.317	2.559	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1[N-]c1ccccc1	ZINC000004822859	471475323	/nfs/dbraw/zinc/47/53/23/471475323.db2.gz	SMZYXYZIMKZUSH-UHFFFAOYSA-N	-1	0	331.719	2.811	40	5		EFBBRM
CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013166456	471819421	/nfs/dbraw/zinc/81/94/21/471819421.db2.gz	VJHDVRALVYZOQU-UHFFFAOYSA-N	-1	0	344.323	2.622	40	5		EFBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1	ZINC000014257535	471866526	/nfs/dbraw/zinc/86/65/26/471866526.db2.gz	RJZNRVDZCQHLHX-UHFFFAOYSA-N	-1	0	335.316	2.566	40	5		EFBBRM
O=c1cc(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016478016	471939144	/nfs/dbraw/zinc/93/91/44/471939144.db2.gz	HMFIHEZGOHKQKU-UHFFFAOYSA-N	-1	0	326.268	2.644	40	5		EFBBRM
COc1ccc2ccccc2c1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000033403677	471983918	/nfs/dbraw/zinc/98/39/18/471983918.db2.gz	MZNLIOYOGDKVAO-FPLPWBNLSA-N	-1	0	339.307	2.716	40	5		EFBBRM
CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000057985662	472496258	/nfs/dbraw/zinc/49/62/58/472496258.db2.gz	DFJDOWMAMNTTIQ-UHFFFAOYSA-N	-1	0	329.356	2.557	40	5		EFBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)cn1	ZINC000195580587	474101671	/nfs/dbraw/zinc/10/16/71/474101671.db2.gz	JCBNKVZZFGRWIF-UHFFFAOYSA-N	-1	0	325.321	2.547	40	5		EFBBRM
CCc1nc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000252488360	474674920	/nfs/dbraw/zinc/67/49/20/474674920.db2.gz	IQHITADEOPJVOT-UHFFFAOYSA-N	-1	0	327.387	2.723	40	5		EFBBRM
CC[C@@H]1CCCCN1c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256046233	474923246	/nfs/dbraw/zinc/92/32/46/474923246.db2.gz	DQPMMIXTBMLXET-LLVKDONJSA-N	-1	0	345.359	2.643	40	5		EFBBRM
COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409051164	476976182	/nfs/dbraw/zinc/97/61/82/476976182.db2.gz	BBRCGNNIGVDIQH-WDZFZDKYSA-N	-1	0	338.341	2.754	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000102243729	219192208	/nfs/dbraw/zinc/19/22/08/219192208.db2.gz	CVOYYCQDWXUBGL-HNNXBMFYSA-N	-1	0	336.307	2.928	40	5		EFBBRM
O=C([O-])c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000003913782	295990391	/nfs/dbraw/zinc/99/03/91/295990391.db2.gz	RCZJKZNEBXSUKZ-UHFFFAOYSA-N	-1	0	327.340	2.620	40	5		EFBBRM
O=C([O-])c1cn(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000216934813	241225478	/nfs/dbraw/zinc/22/54/78/241225478.db2.gz	KWVFFYXVUNWZOW-UHFFFAOYSA-N	-1	0	340.291	2.967	40	5		EFBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000020142483	212106042	/nfs/dbraw/zinc/10/60/42/212106042.db2.gz	CJZCQDAYNURUBO-UHFFFAOYSA-N	-1	0	346.295	2.563	40	5		EFBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000020145189	212105896	/nfs/dbraw/zinc/10/58/96/212105896.db2.gz	YZELUPVKKTUNBJ-VMPITWQZSA-N	-1	0	342.307	2.954	40	5		EFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000013169622	211532362	/nfs/dbraw/zinc/53/23/62/211532362.db2.gz	RNFYTVZGCRWPGU-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C)c(F)c3)[n+]2[O-])c1	ZINC000004922486	210324355	/nfs/dbraw/zinc/32/43/55/210324355.db2.gz	DJONOQMRFRXCLT-UHFFFAOYSA-N	-1	0	343.318	2.913	40	5		EFBBRM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(F)cc3)[n+]2[O-])c1	ZINC000004922564	210323821	/nfs/dbraw/zinc/32/38/21/210323821.db2.gz	XNRPCXKKRXTAIN-UHFFFAOYSA-N	-1	0	329.291	2.605	40	5		EFBBRM
Cc1nc([N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)sc1C	ZINC000095406754	463078900	/nfs/dbraw/zinc/07/89/00/463078900.db2.gz	ZBKPBAVAHYZWPG-UHFFFAOYSA-N	-1	0	331.350	2.608	40	5		EFBBRM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000007708962	471632721	/nfs/dbraw/zinc/63/27/21/471632721.db2.gz	JBAUGDLBEMZNQZ-UHFFFAOYSA-N	-1	0	348.380	2.893	40	5		EFBBRM
Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020140973	471987086	/nfs/dbraw/zinc/98/70/86/471987086.db2.gz	OWGXXNNPKHJOLY-UHFFFAOYSA-N	-1	0	330.296	2.868	40	5		EFBBRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl	ZINC000192726585	473713859	/nfs/dbraw/zinc/71/38/59/473713859.db2.gz	BDPSSUHQUBCKTG-UHFFFAOYSA-N	-1	0	331.737	2.654	40	5		EFBBRM
CN(c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-])C1CCCCC1	ZINC000256048685	474924167	/nfs/dbraw/zinc/92/41/67/474924167.db2.gz	VMTFWVJABWGYJB-UHFFFAOYSA-N	-1	0	345.359	2.643	40	5		EFBBRM
O=C([O-])C1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000391991646	476819029	/nfs/dbraw/zinc/81/90/29/476819029.db2.gz	AZNUIDUOLVHKLU-UHFFFAOYSA-N	-1	0	327.340	2.613	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(Cn2cncn2)cc1	ZINC000408712770	476971496	/nfs/dbraw/zinc/97/14/96/476971496.db2.gz	POISRHZJKGOEPT-UHFFFAOYSA-N	-1	0	339.311	2.676	40	5		EFBBRM
CCCN1C(=O)S/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409235428	476981669	/nfs/dbraw/zinc/98/16/69/476981669.db2.gz	PTYXSAVGBAGNAL-YRNVUSSQSA-N	-1	0	338.341	2.755	40	5		EFBBRM
CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000036636275	213106370	/nfs/dbraw/zinc/10/63/70/213106370.db2.gz	MNTQGKYLRJBCHX-UHFFFAOYSA-N	-1	0	330.296	2.944	40	5		EFBBRM
O=C([O-])CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc32)C1=O	ZINC000408594819	304066822	/nfs/dbraw/zinc/06/68/22/304066822.db2.gz	PJDZHKLAMAZKIW-LICLKQGHSA-N	-1	0	346.342	2.970	40	5		EFBBRM
Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-]	ZINC000020144870	212105574	/nfs/dbraw/zinc/10/55/74/212105574.db2.gz	DAVMDHNXYHEXCS-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C(F)(F)F)n1	ZINC000078406598	217048636	/nfs/dbraw/zinc/04/86/36/217048636.db2.gz	FHFZXOWKSRDZKZ-UHFFFAOYSA-N	-1	0	334.235	2.581	40	5		EFBBRM
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1[N-]c1ccccc1F	ZINC000004923744	210325306	/nfs/dbraw/zinc/32/53/06/210325306.db2.gz	ZANAENCMZRYBOB-UHFFFAOYSA-N	-1	0	349.709	2.950	40	5		EFBBRM
CCc1cccc([N-]c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c1	ZINC000004902245	210317891	/nfs/dbraw/zinc/31/78/91/210317891.db2.gz	RSFYCDMEIVJJGB-UHFFFAOYSA-N	-1	0	325.328	2.720	40	5		EFBBRM
COc1cc(CN(C(C)=O)c2ccccc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000001713719	294979642	/nfs/dbraw/zinc/97/96/42/294979642.db2.gz	ITRLDTOVWKVTOJ-UHFFFAOYSA-N	-1	0	344.323	2.855	40	5		EFBBRM
O=c1[nH]c(C=Cc2c(Cl)cccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000009010346	304813544	/nfs/dbraw/zinc/81/35/44/304813544.db2.gz	GLOXVSWPXMEYNI-PLNGDYQASA-N	-1	0	328.111	2.861	40	5		EFBBRM
CCCn1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc21	ZINC000006325146	471541008	/nfs/dbraw/zinc/54/10/08/471541008.db2.gz	KFUOJOIYAFXRBI-BQYQJAHWSA-N	-1	0	340.339	2.507	40	5		EFBBRM
Cc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000008306383	471678623	/nfs/dbraw/zinc/67/86/23/471678623.db2.gz	ZZDQCULEYRPTCP-OAHLLOKOSA-N	-1	0	328.324	2.849	40	5		EFBBRM
Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000013053766	471813768	/nfs/dbraw/zinc/81/37/68/471813768.db2.gz	XPRJONFRZMRXEN-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
Cc1cccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000013053753	471814030	/nfs/dbraw/zinc/81/40/30/471814030.db2.gz	QCTIQPAASOCKMR-UHFFFAOYSA-N	-1	0	330.296	2.619	40	5		EFBBRM
O=C1C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1	ZINC000015260317	471894871	/nfs/dbraw/zinc/89/48/71/471894871.db2.gz	FTGIMLPHRYZXDJ-WQLSENKSSA-N	-1	0	347.396	2.691	40	5		EFBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O	ZINC000020141134	471987326	/nfs/dbraw/zinc/98/73/26/471987326.db2.gz	NKRXYKGREURNJB-UHFFFAOYSA-N	-1	0	336.687	2.904	40	5		EFBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000034930355	471993331	/nfs/dbraw/zinc/99/33/31/471993331.db2.gz	WDNJZOJDKJYYER-UHFFFAOYSA-N	-1	0	331.353	2.736	40	5		EFBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1	ZINC000194653793	473932928	/nfs/dbraw/zinc/93/29/28/473932928.db2.gz	RSKNFGDPCQAYNN-UHFFFAOYSA-N	-1	0	347.274	2.809	40	5		EFBBRM
C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000194665911	473935242	/nfs/dbraw/zinc/93/52/42/473935242.db2.gz	WSJWXRZFQSSBMD-JTQLQIEISA-N	-1	0	336.373	2.563	40	5		EFBBRM
COc1ccc(CCNc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1OC	ZINC000222633181	474173339	/nfs/dbraw/zinc/17/33/39/474173339.db2.gz	LFAGHANFKFGTJB-UHFFFAOYSA-N	-1	0	346.339	2.965	40	5		EFBBRM
O=C([O-])CCCSc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000224977878	474201546	/nfs/dbraw/zinc/20/15/46/474201546.db2.gz	MYPIHRLQMCESPA-UHFFFAOYSA-N	-1	0	342.764	2.990	40	5		EFBBRM
Cc1nc(-c2cccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])c2)no1	ZINC000225557422	474224400	/nfs/dbraw/zinc/22/44/00/474224400.db2.gz	TXBFQLDTORWZTG-UHFFFAOYSA-N	-1	0	340.295	2.911	40	5		EFBBRM
O=C(NCc1ccc(OC(F)F)cc1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000252492484	474676753	/nfs/dbraw/zinc/67/67/53/474676753.db2.gz	MNNXBNMYFCJSMD-UHFFFAOYSA-N	-1	0	338.266	2.832	40	5		EFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1[O-]	ZINC000409021893	476977066	/nfs/dbraw/zinc/97/70/66/476977066.db2.gz	DLGDTUQAQXIREW-VZUCSPMQSA-N	-1	0	338.341	2.754	40	5		EFBBRM
COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000409376369	476982552	/nfs/dbraw/zinc/98/25/52/476982552.db2.gz	AHNZUIUWIWWNBI-UHFFFAOYSA-N	-1	0	346.295	2.563	40	5		EFBBRM
O=C([O-])c1cc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)ccc1O	ZINC000198109528	728407077	/nfs/dbraw/zinc/40/70/77/728407077.db2.gz	HAYBAECJMRACGM-UHFFFAOYSA-N	-1	0	342.263	2.997	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000102243734	304036082	/nfs/dbraw/zinc/03/60/82/304036082.db2.gz	CVOYYCQDWXUBGL-OAHLLOKOSA-N	-1	0	336.307	2.928	40	5		EFBBRM
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000102243747	304036166	/nfs/dbraw/zinc/03/61/66/304036166.db2.gz	PXMPCSWHAOTYCA-OAHLLOKOSA-N	-1	0	336.307	2.928	40	5		EFBBRM
CCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000020142454	212105715	/nfs/dbraw/zinc/10/57/15/212105715.db2.gz	LULYCUQCVVNKNB-UHFFFAOYSA-N	-1	0	346.295	2.650	40	5		EFBBRM
CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000092069121	218115277	/nfs/dbraw/zinc/11/52/77/218115277.db2.gz	LFJOXOHWGYTDQA-UHFFFAOYSA-N	-1	0	344.293	2.685	40	5		EFBBRM
Cc1nnc(Sc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])s1	ZINC000008894360	302821400	/nfs/dbraw/zinc/82/14/00/302821400.db2.gz	VPAKAQKAZNQVLK-UHFFFAOYSA-N	-1	0	342.314	2.512	40	5		EFBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000013166226	471819014	/nfs/dbraw/zinc/81/90/14/471819014.db2.gz	YGCWGBWDCDCKHK-UHFFFAOYSA-N	-1	0	334.715	2.876	40	5		EFBBRM
CN(c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-])C1CCCCC1	ZINC000256047021	474923036	/nfs/dbraw/zinc/92/30/36/474923036.db2.gz	JRWXKPZWCWDRTA-UHFFFAOYSA-N	-1	0	345.359	2.643	40	5		EFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC)C2=O)c1[O-]	ZINC000409111774	476978175	/nfs/dbraw/zinc/97/81/75/476978175.db2.gz	CBJBIRFGBZCBDV-IZZDOVSWSA-N	-1	0	338.341	2.755	40	5		EFBBRM
O=c1[nH]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000409346952	476981468	/nfs/dbraw/zinc/98/14/68/476981468.db2.gz	PCEMXHYNPBWGHM-DAFODLJHSA-N	-1	0	338.663	2.528	40	5		EFBBRM
O=C([O-])c1conc1[C@H](O[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1	ZINC000504522835	478853365	/nfs/dbraw/zinc/85/33/65/478853365.db2.gz	FMMFUXMCEPVODC-DZGCQCFKSA-N	-1	0	348.311	2.914	40	5		EFBBRM