smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000466969248	560900694	/nfs/dbraw/zinc/90/06/94/560900694.db2.gz	MDIPLMQNBARUNV-UHFFFAOYSA-N	-1	2	356.381	2.393	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000832905446	601473165	/nfs/dbraw/zinc/47/31/65/601473165.db2.gz	LOJWJQWKLOPPHD-UHFFFAOYSA-N	-1	2	371.396	2.096	20	5		FEBDLM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](C2N=NC(=O)O2)C1	ZINC000584842303	672221618	/nfs/dbraw/zinc/22/16/18/672221618.db2.gz	YSFYCOVXWSKXQE-SSDOTTSWSA-N	-1	2	368.733	2.062	20	5		FEBDLM
CN(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000548527870	673966083	/nfs/dbraw/zinc/96/60/83/673966083.db2.gz	JCEGAZQBNVLFAM-UHFFFAOYSA-N	-1	2	365.367	2.160	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000326855200	553784006	/nfs/dbraw/zinc/78/40/06/553784006.db2.gz	RAVDRKZJKGALNM-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000435724357	559928874	/nfs/dbraw/zinc/92/88/74/559928874.db2.gz	STNMXFOWUWUQNN-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000549732379	562638751	/nfs/dbraw/zinc/63/87/51/562638751.db2.gz	IVFCFOOXGNGULI-UHFFFAOYSA-N	-1	2	355.310	2.352	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000738294956	600054528	/nfs/dbraw/zinc/05/45/28/600054528.db2.gz	FDPSMMSAVCRXCP-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1O	ZINC000610753734	675994349	/nfs/dbraw/zinc/99/43/49/675994349.db2.gz	KZVDUZKAFIKPCZ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1F	ZINC000324705479	553773538	/nfs/dbraw/zinc/77/35/38/553773538.db2.gz	ARZWXYPWLJSSRO-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000325518570	553776750	/nfs/dbraw/zinc/77/67/50/553776750.db2.gz	HYCLKAFKAKYHLM-UHFFFAOYSA-N	-1	2	350.352	2.331	20	5		FEBDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000533691210	562516156	/nfs/dbraw/zinc/51/61/56/562516156.db2.gz	XEYYGHPQFZROAP-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
O=C([O-])c1c(NS(=O)(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-]	ZINC000548219560	673936980	/nfs/dbraw/zinc/93/69/80/673936980.db2.gz	KDUVJXCMNLHBBJ-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000619466644	676378201	/nfs/dbraw/zinc/37/82/01/676378201.db2.gz	GTWXXMCJNJUWBR-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1F	ZINC000749141335	680022914	/nfs/dbraw/zinc/02/29/14/680022914.db2.gz	FEIQKDCKOZUUQR-UHFFFAOYSA-N	-1	2	369.330	2.124	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C(=O)[O-])c1	ZINC000504665741	561660896	/nfs/dbraw/zinc/66/08/96/561660896.db2.gz	KTUGCHNDMSYKRJ-UHFFFAOYSA-N	-1	2	372.380	2.472	20	5		FEBDLM
Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1	ZINC000738463733	600255888	/nfs/dbraw/zinc/25/58/88/600255888.db2.gz	SGALVTCHKRZULZ-UHFFFAOYSA-N	-1	2	359.747	2.384	20	5		FEBDLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(F)c1	ZINC000326191816	553779801	/nfs/dbraw/zinc/77/98/01/553779801.db2.gz	AXSRPLIUBKASGY-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832885956	601501307	/nfs/dbraw/zinc/50/13/07/601501307.db2.gz	UCXYYBRORRZXNQ-UHFFFAOYSA-N	-1	2	371.758	2.451	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1C	ZINC000832958306	602154238	/nfs/dbraw/zinc/15/42/38/602154238.db2.gz	ULQBRIMLFJIBOW-UHFFFAOYSA-N	-1	2	351.340	2.106	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000739932922	602646450	/nfs/dbraw/zinc/64/64/50/602646450.db2.gz	NUUDXWOPFUVEAX-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
O=C([O-])c1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000776561472	681405482	/nfs/dbraw/zinc/40/54/82/681405482.db2.gz	KKEZUEDHXCTSKV-UHFFFAOYSA-N	-1	2	373.324	2.064	20	5		FEBDLM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000484978427	561309813	/nfs/dbraw/zinc/30/98/13/561309813.db2.gz	UNAWPDZQSKUQAX-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000324563121	553772746	/nfs/dbraw/zinc/77/27/46/553772746.db2.gz	JILIEQSDAILIAG-UHFFFAOYSA-N	-1	2	372.380	2.472	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000619467671	676378177	/nfs/dbraw/zinc/37/81/77/676378177.db2.gz	VQIXDNUVBWUAOX-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
O=C([O-])c1c(NS(=O)(=O)c2cccnc2Cl)cccc1[N+](=O)[O-]	ZINC000776560675	681405446	/nfs/dbraw/zinc/40/54/46/681405446.db2.gz	CVKMBCRGAITQFR-UHFFFAOYSA-N	-1	2	357.731	2.142	20	5		FEBDLM
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C2	ZINC000365591788	555617277	/nfs/dbraw/zinc/61/72/77/555617277.db2.gz	FKNVTHRQRDOMGT-CYBMUJFWSA-N	-1	2	364.427	2.010	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000391677712	558614899	/nfs/dbraw/zinc/61/48/99/558614899.db2.gz	QPLQCQPBSQKWTM-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432175306	559853457	/nfs/dbraw/zinc/85/34/57/559853457.db2.gz	GIFBLUVHLCKUCB-UHFFFAOYSA-N	-1	2	366.351	2.493	20	5		FEBDLM
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1	ZINC000436969298	559957936	/nfs/dbraw/zinc/95/79/36/559957936.db2.gz	YQEVVLZBUASDFQ-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000170552160	601354970	/nfs/dbraw/zinc/35/49/70/601354970.db2.gz	UVUCOAQDEHSOHB-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)F	ZINC000611226599	676026523	/nfs/dbraw/zinc/02/65/23/676026523.db2.gz	RKTVUVCPYYCJKV-UHFFFAOYSA-N	-1	2	362.314	2.081	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000619467022	676378154	/nfs/dbraw/zinc/37/81/54/676378154.db2.gz	JMYDEFGDUFUGGM-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768883673	680963418	/nfs/dbraw/zinc/96/34/18/680963418.db2.gz	UMYRHELWJMLHFN-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1	ZINC000479185645	561183691	/nfs/dbraw/zinc/18/36/91/561183691.db2.gz	KZIBBNZBHHDNMZ-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
CCn1cc[nH+]c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000295275395	552980199	/nfs/dbraw/zinc/98/01/99/552980199.db2.gz	FHWCCCHYCOIVCZ-UHFFFAOYSA-N	-1	2	358.807	2.252	20	5		FEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1	ZINC000509611473	561807400	/nfs/dbraw/zinc/80/74/00/561807400.db2.gz	QIOLEAIKWUZQTK-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000436784745	559951992	/nfs/dbraw/zinc/95/19/92/559951992.db2.gz	YHKWVJWTQJJQMT-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])c1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc([N+](=O)[O-])c1	ZINC000738674097	599828076	/nfs/dbraw/zinc/82/80/76/599828076.db2.gz	ZJPBSWPFLLYJKB-UHFFFAOYSA-N	-1	2	371.284	2.470	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000738747390	600055236	/nfs/dbraw/zinc/05/52/36/600055236.db2.gz	VVFRQRSRMMDCGX-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C(=O)[O-]	ZINC000832972375	600867532	/nfs/dbraw/zinc/86/75/32/600867532.db2.gz	AQMVZPVPIVTMNW-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COC(=O)c1csc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000611443747	676037384	/nfs/dbraw/zinc/03/73/84/676037384.db2.gz	UNSDGDZGRCETKN-UHFFFAOYSA-N	-1	2	372.380	2.258	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000484522547	561299053	/nfs/dbraw/zinc/29/90/53/561299053.db2.gz	YLKKEVBWSUABRA-UHFFFAOYSA-N	-1	2	350.352	2.331	20	5		FEBDLM
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1noc2c1CCCC2	ZINC000264059895	549973758	/nfs/dbraw/zinc/97/37/58/549973758.db2.gz	VRPITAIJYXHOQS-UHFFFAOYSA-N	-1	2	354.326	2.499	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000326987906	553784943	/nfs/dbraw/zinc/78/49/43/553784943.db2.gz	XPMQYGQVANDMHG-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000390030179	558610695	/nfs/dbraw/zinc/61/06/95/558610695.db2.gz	XQSOGOXGVUYWDT-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000392636539	558618020	/nfs/dbraw/zinc/61/80/20/558618020.db2.gz	XOMYYMLQWMBIRG-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
CC(C)(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000471106782	560998377	/nfs/dbraw/zinc/99/83/77/560998377.db2.gz	CEMWKLQVBQQBOG-UHFFFAOYSA-N	-1	2	368.371	2.045	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C(=O)[O-]	ZINC000738477715	600204022	/nfs/dbraw/zinc/20/40/22/600204022.db2.gz	CKPIMQZKLZKMLM-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738396789	601047713	/nfs/dbraw/zinc/04/77/13/601047713.db2.gz	KFHNMUOMAYKAAK-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-]	ZINC000832885484	601784799	/nfs/dbraw/zinc/78/47/99/601784799.db2.gz	BARSSSFUOBTDOR-UHFFFAOYSA-N	-1	2	373.774	2.394	20	5		FEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738229384	601986963	/nfs/dbraw/zinc/98/69/63/601986963.db2.gz	LMASWHWDODBFLG-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832855849	604621516	/nfs/dbraw/zinc/62/15/16/604621516.db2.gz	FIOTWQLFVNFADB-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832976382	604625096	/nfs/dbraw/zinc/62/50/96/604625096.db2.gz	SSCQNNIKIARXOW-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1	ZINC000547866416	673894615	/nfs/dbraw/zinc/89/46/15/673894615.db2.gz	OOBYZEYQJCUMCW-SNVBAGLBSA-N	-1	2	374.371	2.290	20	5		FEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)cc([N+](=O)[O-])c1	ZINC000484537568	561299437	/nfs/dbraw/zinc/29/94/37/561299437.db2.gz	IEDIMECHBBBEPF-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1C	ZINC000436528495	559944408	/nfs/dbraw/zinc/94/44/08/559944408.db2.gz	XJQXFIKJEJRJGD-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1[N+](=O)[O-]	ZINC000436952796	559957242	/nfs/dbraw/zinc/95/72/42/559957242.db2.gz	YWZFPQCOGSARAD-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
COc1ccc(C)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548222995	673937335	/nfs/dbraw/zinc/93/73/35/673937335.db2.gz	ADWYDZHEMWFQDP-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1	ZINC000753976576	680328113	/nfs/dbraw/zinc/32/81/13/680328113.db2.gz	PJZHOGPSMLUIIC-UHFFFAOYSA-N	-1	2	358.335	2.490	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000392605467	558617989	/nfs/dbraw/zinc/61/79/89/558617989.db2.gz	GSDJUIIGQVFOBV-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)ccc1[O-]	ZINC000434970312	559913616	/nfs/dbraw/zinc/91/36/16/559913616.db2.gz	YJENMAAIQNMQNR-UHFFFAOYSA-N	-1	2	360.351	2.491	20	5		FEBDLM
O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000833317988	600867528	/nfs/dbraw/zinc/86/75/28/600867528.db2.gz	QZNLKHAITJZZIY-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000833051211	601783933	/nfs/dbraw/zinc/78/39/33/601783933.db2.gz	QAYZXVHIVQMAMX-UHFFFAOYSA-N	-1	2	359.747	2.086	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(F)c1	ZINC000576801374	671395354	/nfs/dbraw/zinc/39/53/54/671395354.db2.gz	ZKROHFQNDPZWDE-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000619468096	676378385	/nfs/dbraw/zinc/37/83/85/676378385.db2.gz	WYRCMEDNWXRRSO-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
O=C(Nc1nc(Br)ccc1O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803171951	674226250	/nfs/dbraw/zinc/22/62/50/674226250.db2.gz	DCWNSRXYJQILLH-UHFFFAOYSA-N	-1	2	354.116	2.416	20	5		FEBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1[N+](=O)[O-]	ZINC000479210574	561184822	/nfs/dbraw/zinc/18/48/22/561184822.db2.gz	OFSKVLSYAUSCLV-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1C	ZINC000481590389	561236800	/nfs/dbraw/zinc/23/68/00/561236800.db2.gz	YUARHYZJYGUNHN-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1C	ZINC000326673946	553782590	/nfs/dbraw/zinc/78/25/90/553782590.db2.gz	KMANJBSYKQVVOI-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000391730416	558614583	/nfs/dbraw/zinc/61/45/83/558614583.db2.gz	CLSHWPXZIWSSAZ-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(F)c1F	ZINC000833304339	601832928	/nfs/dbraw/zinc/83/29/28/601832928.db2.gz	YSTCEBUIEBALOW-UHFFFAOYSA-N	-1	2	374.277	2.078	20	5		FEBDLM
C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000563437220	674888157	/nfs/dbraw/zinc/88/81/57/674888157.db2.gz	WGQHHNBXUOZKAL-GFCCVEGCSA-N	-1	2	359.423	2.133	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000392711565	558618556	/nfs/dbraw/zinc/61/85/56/558618556.db2.gz	CFHSJLCBBOGELB-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
CCc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000433498952	559883140	/nfs/dbraw/zinc/88/31/40/559883140.db2.gz	QCJNBZUJNBMNFO-UHFFFAOYSA-N	-1	2	366.351	2.362	20	5		FEBDLM
Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000532292014	562473046	/nfs/dbraw/zinc/47/30/46/562473046.db2.gz	SBHLBRKZPIFOMY-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2scnc2C2CC2)c1	ZINC000534974178	562546487	/nfs/dbraw/zinc/54/64/87/562546487.db2.gz	IGKSJHLOIIMMFF-UHFFFAOYSA-N	-1	2	369.380	2.428	20	5		FEBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000830259922	600982636	/nfs/dbraw/zinc/98/26/36/600982636.db2.gz	KPMWPXYKKJOBSF-UHFFFAOYSA-N	-1	2	351.340	2.051	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-]	ZINC000739871391	602653088	/nfs/dbraw/zinc/65/30/88/602653088.db2.gz	FMZCULDQGUICRC-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832958725	604625340	/nfs/dbraw/zinc/62/53/40/604625340.db2.gz	OSEYWHFJYGATKG-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c([N+](=O)[O-])c1	ZINC000436641476	559947450	/nfs/dbraw/zinc/94/74/50/559947450.db2.gz	VZCODLDWGZXPQQ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O	ZINC000469146758	560948305	/nfs/dbraw/zinc/94/83/05/560948305.db2.gz	ZXAUNYVASRKBAL-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000532846837	562490363	/nfs/dbraw/zinc/49/03/63/562490363.db2.gz	VTZCTFUAQMXDHL-UHFFFAOYSA-N	-1	2	369.355	2.261	20	5		FEBDLM
CCc1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])s1	ZINC000830298715	600985529	/nfs/dbraw/zinc/98/55/29/600985529.db2.gz	BXGKGLYEEAYNRR-UHFFFAOYSA-N	-1	2	357.369	2.113	20	5		FEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1	ZINC000611226500	676026466	/nfs/dbraw/zinc/02/64/66/676026466.db2.gz	ABYVYUXDUYQEOS-UHFFFAOYSA-N	-1	2	354.388	2.430	20	5		FEBDLM
O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000497688802	561506463	/nfs/dbraw/zinc/50/64/63/561506463.db2.gz	VOJBYQSPOYYKKX-UHFFFAOYSA-N	-1	2	356.363	2.417	20	5		FEBDLM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000391492736	558614198	/nfs/dbraw/zinc/61/41/98/558614198.db2.gz	QAZRBNSLEVJWMO-UHFFFAOYSA-N	-1	2	358.353	2.169	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1O	ZINC000436779762	559951674	/nfs/dbraw/zinc/95/16/74/559951674.db2.gz	YEKZIFSXUPDCBP-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1[N+](=O)[O-]	ZINC000436947200	559957395	/nfs/dbraw/zinc/95/73/95/559957395.db2.gz	FTHJTNNCUYDARP-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000832905778	601473379	/nfs/dbraw/zinc/47/33/79/601473379.db2.gz	VGEOGSBRSXSSOU-UHFFFAOYSA-N	-1	2	351.340	2.106	20	5		FEBDLM
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(O)c1	ZINC000539943349	673515134	/nfs/dbraw/zinc/51/51/34/673515134.db2.gz	MHKGSAQIKWHNTK-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1	ZINC000753773133	680313722	/nfs/dbraw/zinc/31/37/22/680313722.db2.gz	UERGOAYTGJZMJH-UHFFFAOYSA-N	-1	2	369.330	2.124	20	5		FEBDLM
CCOc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499153112	561544739	/nfs/dbraw/zinc/54/47/39/561544739.db2.gz	UXJOQIJJWCLCGI-UHFFFAOYSA-N	-1	2	353.356	2.203	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(O)c1	ZINC000324231720	553771475	/nfs/dbraw/zinc/77/14/75/553771475.db2.gz	SDBXYJPXKDLCRQ-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1sc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466975951	560900714	/nfs/dbraw/zinc/90/07/14/560900714.db2.gz	GVIJKBURFPKSDH-UHFFFAOYSA-N	-1	2	356.381	2.393	20	5		FEBDLM
COC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000535032192	562548733	/nfs/dbraw/zinc/54/87/33/562548733.db2.gz	FRKUJXNTGBGEIU-UHFFFAOYSA-N	-1	2	372.380	2.258	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1F	ZINC000818853250	597043427	/nfs/dbraw/zinc/04/34/27/597043427.db2.gz	UTPZLUSGKVUKNZ-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000326167588	553779652	/nfs/dbraw/zinc/77/96/52/553779652.db2.gz	JJDWVNRGJSCWTO-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C(=O)[O-])c1	ZINC000327248796	553787011	/nfs/dbraw/zinc/78/70/11/553787011.db2.gz	YBSFHSVRNWUOIL-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776444771	681392637	/nfs/dbraw/zinc/39/26/37/681392637.db2.gz	PLVDZOCLOABADE-UHFFFAOYSA-N	-1	2	373.324	2.064	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)[O-])c1	ZINC000504666298	561661153	/nfs/dbraw/zinc/66/11/53/561661153.db2.gz	RFRHQQAQLVKFPS-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1C(C)C	ZINC000421187971	559529945	/nfs/dbraw/zinc/52/99/45/559529945.db2.gz	WTLUFOKFIFBHNK-UHFFFAOYSA-N	-1	2	368.371	2.180	20	5		FEBDLM
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000550121035	562642990	/nfs/dbraw/zinc/64/29/90/562642990.db2.gz	UFPBRELZPUCNER-UHFFFAOYSA-N	-1	2	355.310	2.352	20	5		FEBDLM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000556935362	674428997	/nfs/dbraw/zinc/42/89/97/674428997.db2.gz	FPCSCSIKYRRJKS-UHFFFAOYSA-N	-1	2	366.351	2.052	20	5		FEBDLM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cccc1[N+](=O)[O-]	ZINC000537652437	673399721	/nfs/dbraw/zinc/39/97/21/673399721.db2.gz	VBVMYAZOTTVWLY-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000504665888	561661000	/nfs/dbraw/zinc/66/10/00/561661000.db2.gz	NEEZIFKVZKBLOH-UHFFFAOYSA-N	-1	2	366.351	2.249	20	5		FEBDLM
Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)s1	ZINC000532037841	562464833	/nfs/dbraw/zinc/46/48/33/562464833.db2.gz	QSQDDYORAFHUAS-UHFFFAOYSA-N	-1	2	371.396	2.476	20	5		FEBDLM
CC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833403183	605326896	/nfs/dbraw/zinc/32/68/96/605326896.db2.gz	DILFYECGYRATJM-UHFFFAOYSA-N	-1	2	364.335	2.296	20	5		FEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1	ZINC000484539538	561299541	/nfs/dbraw/zinc/29/95/41/561299541.db2.gz	BUJRJKXGPHWPTJ-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432174259	559853473	/nfs/dbraw/zinc/85/34/73/559853473.db2.gz	CLCBYBMGSQXKCZ-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
CCc1onc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000534618847	562538371	/nfs/dbraw/zinc/53/83/71/562538371.db2.gz	FHEKRHHGXGGZDO-UHFFFAOYSA-N	-1	2	369.355	2.261	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1C(=O)[O-]	ZINC000738363125	600054641	/nfs/dbraw/zinc/05/46/41/600054641.db2.gz	DBOHKJWFIRTUTH-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)ccc1[N+](=O)[O-]	ZINC000832097473	602117789	/nfs/dbraw/zinc/11/77/89/602117789.db2.gz	AJPPGGVSDVAIFK-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1[N+](=O)[O-]	ZINC000832956464	604625134	/nfs/dbraw/zinc/62/51/34/604625134.db2.gz	CMYLVGJODAOFBS-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833744874	605330863	/nfs/dbraw/zinc/33/08/63/605330863.db2.gz	SMVZAPMQQYLNTJ-UHFFFAOYSA-N	-1	2	371.758	2.451	20	5		FEBDLM
O=C([O-])C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1	ZINC000547866412	673894371	/nfs/dbraw/zinc/89/43/71/673894371.db2.gz	OOBYZEYQJCUMCW-JTQLQIEISA-N	-1	2	374.371	2.290	20	5		FEBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000326071228	553779229	/nfs/dbraw/zinc/77/92/29/553779229.db2.gz	GPZTUFRCBZPRSY-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000327844216	553792074	/nfs/dbraw/zinc/79/20/74/553792074.db2.gz	LKFBLEBSAVVGGG-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1	ZINC000392696802	558618365	/nfs/dbraw/zinc/61/83/65/558618365.db2.gz	MXGRKMZPMIENFE-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000432761443	559864143	/nfs/dbraw/zinc/86/41/43/559864143.db2.gz	UFUSPIFKQGSJHZ-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000818829906	597315339	/nfs/dbraw/zinc/31/53/39/597315339.db2.gz	SJWVWFUCTKTUBB-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
O=C([O-])c1c(NS(=O)(=O)c2cccc(F)c2F)cccc1[N+](=O)[O-]	ZINC000547887243	673897737	/nfs/dbraw/zinc/89/77/37/673897737.db2.gz	OJXQCEDUJNPXQH-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000548198546	673933062	/nfs/dbraw/zinc/93/30/62/673933062.db2.gz	WKYUVTPQTHHHBR-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
O=C([O-])c1c(F)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F	ZINC000768887180	680963573	/nfs/dbraw/zinc/96/35/73/680963573.db2.gz	IHYRTQPABDUOII-UHFFFAOYSA-N	-1	2	364.307	2.434	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O	ZINC000323842750	553770394	/nfs/dbraw/zinc/77/03/94/553770394.db2.gz	KKUPYGZJPSIEHD-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1C	ZINC000327107564	553786249	/nfs/dbraw/zinc/78/62/49/553786249.db2.gz	LOHRJYLLLROXLJ-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000327316753	553788214	/nfs/dbraw/zinc/78/82/14/553788214.db2.gz	XZWORRVTJOYYRH-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c([N+](=O)[O-])c1	ZINC000327641978	553789942	/nfs/dbraw/zinc/78/99/42/553789942.db2.gz	SNXMCXLINDRKCA-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1	ZINC000466972392	560900637	/nfs/dbraw/zinc/90/06/37/560900637.db2.gz	DQJFICVMVSYSNS-UHFFFAOYSA-N	-1	2	372.380	2.472	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1C(=O)[O-]	ZINC000738295018	600054488	/nfs/dbraw/zinc/05/44/88/600054488.db2.gz	AEGWOLGMTRWDHJ-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000745997138	673860460	/nfs/dbraw/zinc/86/04/60/673860460.db2.gz	BMDLPVGBKGSXLY-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(Cl)c1	ZINC000547868749	673894667	/nfs/dbraw/zinc/89/46/67/673894667.db2.gz	JSIUSXHJUOFASE-UHFFFAOYSA-N	-1	2	357.731	2.142	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(F)c1	ZINC000555374627	674358422	/nfs/dbraw/zinc/35/84/22/674358422.db2.gz	VRPKCWLKGCFHCA-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-]	ZINC000484532587	561299257	/nfs/dbraw/zinc/29/92/57/561299257.db2.gz	AKTVSCIZNQCZCD-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000507564494	561733316	/nfs/dbraw/zinc/73/33/16/561733316.db2.gz	IHRPMLFWFRSDNJ-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000410408634	558755444	/nfs/dbraw/zinc/75/54/44/558755444.db2.gz	RUMPSWSMNZSKSA-UHFFFAOYSA-N	-1	2	370.339	2.394	20	5		FEBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1	ZINC000572354072	670991694	/nfs/dbraw/zinc/99/16/94/670991694.db2.gz	XTGVFWDVRPNWDK-UHFFFAOYSA-N	-1	2	368.371	2.180	20	5		FEBDLM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1[N+](=O)[O-]	ZINC000538753246	673455962	/nfs/dbraw/zinc/45/59/62/673455962.db2.gz	AJUYILAHAPCQGQ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1[N+](=O)[O-]	ZINC000760338831	680683594	/nfs/dbraw/zinc/68/35/94/680683594.db2.gz	RGVBFOLPTPQVIG-UHFFFAOYSA-N	-1	2	357.731	2.142	20	5		FEBDLM
CC(C)CCn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000164643732	327072756	/nfs/dbraw/zinc/07/27/56/327072756.db2.gz	XYWULQDQHNVEFT-UHFFFAOYSA-N	-1	2	354.388	2.344	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1	ZINC000324175533	553771567	/nfs/dbraw/zinc/77/15/67/553771567.db2.gz	GRVFMOREYJQGGG-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000327559230	553790024	/nfs/dbraw/zinc/79/00/24/553790024.db2.gz	WPYRQCSFAXIDJR-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1C	ZINC000328143753	553792939	/nfs/dbraw/zinc/79/29/39/553792939.db2.gz	MJEVFGWBWBECGJ-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2nsnc2c([N+](=O)[O-])c1	ZINC000366623287	555893692	/nfs/dbraw/zinc/89/36/92/555893692.db2.gz	VOMGCTDSUXNVTQ-UHFFFAOYSA-N	-1	2	368.338	2.032	20	5		FEBDLM
CC(C)(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC000833451310	605326171	/nfs/dbraw/zinc/32/61/71/605326171.db2.gz	BNKGCNDYAHJDDX-UHFFFAOYSA-N	-1	2	368.371	2.045	20	5		FEBDLM
CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000488971475	561400696	/nfs/dbraw/zinc/40/06/96/561400696.db2.gz	GPPDOFMTLHHINJ-UHFFFAOYSA-N	-1	2	371.396	2.421	20	5		FEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F	ZINC000324649293	553772906	/nfs/dbraw/zinc/77/29/06/553772906.db2.gz	ZGHRCLYVHKRTDO-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000392451816	558617939	/nfs/dbraw/zinc/61/79/39/558617939.db2.gz	HNVWRKLVZDDMLG-UHFFFAOYSA-N	-1	2	354.315	2.162	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000393219219	558620841	/nfs/dbraw/zinc/62/08/41/558620841.db2.gz	MHZKYDWCXBKOGP-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
CCc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471132534	560998996	/nfs/dbraw/zinc/99/89/96/560998996.db2.gz	XJOCFKJORSJFKG-UHFFFAOYSA-N	-1	2	366.351	2.362	20	5		FEBDLM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O	ZINC000535399308	562557834	/nfs/dbraw/zinc/55/78/34/562557834.db2.gz	IGPOUWDCAHGMED-UHFFFAOYSA-N	-1	2	370.314	2.027	20	5		FEBDLM
COc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832097531	602308201	/nfs/dbraw/zinc/30/82/01/602308201.db2.gz	FSEJVPZTJKOJKX-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000619466703	676378190	/nfs/dbraw/zinc/37/81/90/676378190.db2.gz	KOWCJOTZLLDEGF-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
CCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1	ZINC000489011589	561401539	/nfs/dbraw/zinc/40/15/39/561401539.db2.gz	NONFVXLUOUAHEM-UHFFFAOYSA-N	-1	2	371.396	2.421	20	5		FEBDLM
Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C2	ZINC000365591789	555617504	/nfs/dbraw/zinc/61/75/04/555617504.db2.gz	FKNVTHRQRDOMGT-ZDUSSCGKSA-N	-1	2	364.427	2.010	20	5		FEBDLM
CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O	ZINC000421144121	559526439	/nfs/dbraw/zinc/52/64/39/559526439.db2.gz	VALUWWFCBNTTLL-CQSZACIVSA-N	-1	2	366.395	2.300	20	5		FEBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000737268247	600054399	/nfs/dbraw/zinc/05/43/99/600054399.db2.gz	WZOMMWOYRJDOQP-UHFFFAOYSA-N	-1	2	371.396	2.421	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000739931849	602646365	/nfs/dbraw/zinc/64/63/65/602646365.db2.gz	DWNNQIJFVXBVTL-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
Cc1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)ccc1[N+](=O)[O-]	ZINC000832904552	604625425	/nfs/dbraw/zinc/62/54/25/604625425.db2.gz	SANPYWAMESLXIT-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000273505412	550500977	/nfs/dbraw/zinc/50/09/77/550500977.db2.gz	ZKTXJVFHNWGSCN-UHFFFAOYSA-N	-1	2	362.314	2.379	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1[N+](=O)[O-]	ZINC000326134020	553779318	/nfs/dbraw/zinc/77/93/18/553779318.db2.gz	HFEAQIQJQRCROT-UHFFFAOYSA-N	-1	2	372.380	2.472	20	5		FEBDLM
CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432183058	559853525	/nfs/dbraw/zinc/85/35/25/559853525.db2.gz	UPWYRAWEUKAMJW-UHFFFAOYSA-N	-1	2	368.371	2.045	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)ccc1[N+](=O)[O-]	ZINC000471125587	560998862	/nfs/dbraw/zinc/99/88/62/560998862.db2.gz	UBGNDHZLHLMRCL-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)cc1F	ZINC000740090117	600229968	/nfs/dbraw/zinc/22/99/68/600229968.db2.gz	SIRUCIBOSKRJIS-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814976004	674891797	/nfs/dbraw/zinc/89/17/97/674891797.db2.gz	ATPXQTIBQUCCOB-VIFPVBQESA-N	-1	2	365.814	2.150	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000794872626	683000902	/nfs/dbraw/zinc/00/09/02/683000902.db2.gz	KKNXRYCIQQMZAT-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000327674477	553790680	/nfs/dbraw/zinc/79/06/80/553790680.db2.gz	HIYKQCMNAAAHDR-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000392446962	558617728	/nfs/dbraw/zinc/61/77/28/558617728.db2.gz	ATHMJFRTPHVFIR-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000436998796	559959184	/nfs/dbraw/zinc/95/91/84/559959184.db2.gz	ZDRIEZLWXNPFAD-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O	ZINC000421144118	559526535	/nfs/dbraw/zinc/52/65/35/559526535.db2.gz	VALUWWFCBNTTLL-AWEZNQCLSA-N	-1	2	366.395	2.300	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000738069110	600092947	/nfs/dbraw/zinc/09/29/47/600092947.db2.gz	XWLOMCJDZJMTDR-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1C	ZINC000832958275	602154570	/nfs/dbraw/zinc/15/45/70/602154570.db2.gz	RQKANFLCHVVCFG-UHFFFAOYSA-N	-1	2	371.396	2.096	20	5		FEBDLM
O=C([O-])c1nscc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000833347321	602156632	/nfs/dbraw/zinc/15/66/32/602156632.db2.gz	YHTVKAUQONLLBK-UHFFFAOYSA-N	-1	2	363.760	2.204	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000022409548	206377645	/nfs/dbraw/zinc/37/76/45/206377645.db2.gz	SVDMBBVNDNCMDT-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000485225260	561315268	/nfs/dbraw/zinc/31/52/68/561315268.db2.gz	BBRPDOJFVGPFQO-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000324941534	553774271	/nfs/dbraw/zinc/77/42/71/553774271.db2.gz	XOYOUXMJSSLUHU-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000327273147	553787568	/nfs/dbraw/zinc/78/75/68/553787568.db2.gz	GUVZZJFBWZEKLF-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000737267899	600053835	/nfs/dbraw/zinc/05/38/35/600053835.db2.gz	NDCLOMGRIJVSAV-UHFFFAOYSA-N	-1	2	371.396	2.042	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1C(=O)[O-]	ZINC000738248801	600054410	/nfs/dbraw/zinc/05/44/10/600054410.db2.gz	BSJHIPFYTFKLDP-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000540166577	673526472	/nfs/dbraw/zinc/52/64/72/673526472.db2.gz	IGGRZNHBXWTEPN-UHFFFAOYSA-N	-1	2	360.351	2.283	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1	ZINC000280410945	550990653	/nfs/dbraw/zinc/99/06/53/550990653.db2.gz	YPTNLNWMKZNEEH-LLVKDONJSA-N	-1	2	366.399	2.321	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000327314950	553788004	/nfs/dbraw/zinc/78/80/04/553788004.db2.gz	PJHYVBDSGRGJEN-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000463445009	560814932	/nfs/dbraw/zinc/81/49/32/560814932.db2.gz	PEEFZEPFFOFEJL-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1[N+](=O)[O-]	ZINC000467753962	560916504	/nfs/dbraw/zinc/91/65/04/560916504.db2.gz	SNHHVLBQXQLMMJ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2scnc2C2CC2)ccc1[N+](=O)[O-]	ZINC000534238070	562528222	/nfs/dbraw/zinc/52/82/22/562528222.db2.gz	BRXPNWIENOHYGK-UHFFFAOYSA-N	-1	2	369.380	2.428	20	5		FEBDLM
C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000124133270	543802598	/nfs/dbraw/zinc/80/25/98/543802598.db2.gz	FBTZAMDFRPWDGD-UHFFFAOYSA-N	-1	2	359.382	2.171	20	5		FEBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2O)c1	ZINC000530714221	562421624	/nfs/dbraw/zinc/42/16/24/562421624.db2.gz	HUBSGVIPIVVCLB-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000738250309	600054537	/nfs/dbraw/zinc/05/45/37/600054537.db2.gz	VFBNJKLQBPZPFE-UHFFFAOYSA-N	-1	2	371.396	2.476	20	5		FEBDLM
O=C([O-])NCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000740680448	602656146	/nfs/dbraw/zinc/65/61/46/602656146.db2.gz	ROXYOBJXCPPPRX-UHFFFAOYSA-N	-1	2	369.330	2.302	20	5		FEBDLM
COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000576399236	671365955	/nfs/dbraw/zinc/36/59/55/671365955.db2.gz	JCSZQTYFGNGGLG-UHFFFAOYSA-N	-1	2	365.411	2.466	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000619467348	676378251	/nfs/dbraw/zinc/37/82/51/676378251.db2.gz	BNQYDCKGPDJDIQ-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000327896627	553791948	/nfs/dbraw/zinc/79/19/48/553791948.db2.gz	GYPXBGUHAXKUNO-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)nn1C(C)C	ZINC000421186069	559529808	/nfs/dbraw/zinc/52/98/08/559529808.db2.gz	RWDUUOMQPMOQPV-UHFFFAOYSA-N	-1	2	354.388	2.495	20	5		FEBDLM
COc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000435718709	559928834	/nfs/dbraw/zinc/92/88/34/559928834.db2.gz	YLTCHOTVAJKEPX-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1C	ZINC000436995951	559958936	/nfs/dbraw/zinc/95/89/36/559958936.db2.gz	RTLCFOJORNBZAM-UHFFFAOYSA-N	-1	2	366.351	2.416	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000022409554	206378341	/nfs/dbraw/zinc/37/83/41/206378341.db2.gz	JSSMEKRIDYPXMX-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000327282371	553787734	/nfs/dbraw/zinc/78/77/34/553787734.db2.gz	GNOSJIRCHGJTJI-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432201145	559853949	/nfs/dbraw/zinc/85/39/49/559853949.db2.gz	CZHCDBVSOKHPCX-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c([N+](=O)[O-])c1	ZINC000436993726	559958927	/nfs/dbraw/zinc/95/89/27/559958927.db2.gz	GLDPGSCJZSBKDJ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000464834751	560853076	/nfs/dbraw/zinc/85/30/76/560853076.db2.gz	HDGQPGBWVJXAJC-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
CCc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000833676019	604991763	/nfs/dbraw/zinc/99/17/63/604991763.db2.gz	WHTWOOUDINSOEQ-UHFFFAOYSA-N	-1	2	371.396	2.421	20	5		FEBDLM
C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1	ZINC000131749758	544204857	/nfs/dbraw/zinc/20/48/57/544204857.db2.gz	HGRBVQJBKJYPTA-UHFFFAOYSA-N	-1	2	360.395	2.404	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000013028711	324373390	/nfs/dbraw/zinc/37/33/90/324373390.db2.gz	ZWHHKKBTMSOFGG-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(C)n1	ZINC000290591198	552503348	/nfs/dbraw/zinc/50/33/48/552503348.db2.gz	XMHUESOQCUCXNP-UHFFFAOYSA-N	-1	2	352.372	2.021	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)ccc1[N+](=O)[O-]	ZINC000513813300	561950912	/nfs/dbraw/zinc/95/09/12/561950912.db2.gz	AXNBYHMXMROGGJ-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471136074	560999083	/nfs/dbraw/zinc/99/90/83/560999083.db2.gz	HSTVMQLAZGWHDI-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000545829832	562630989	/nfs/dbraw/zinc/63/09/89/562630989.db2.gz	NNLJMJTWWGRPAW-UHFFFAOYSA-N	-1	2	350.352	2.331	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)c1	ZINC000738041352	600023793	/nfs/dbraw/zinc/02/37/93/600023793.db2.gz	IDPCYNQXTAALDP-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000832481770	601854554	/nfs/dbraw/zinc/85/45/54/601854554.db2.gz	PZIXNENXJHSPPU-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)CC1	ZINC000269134164	550159345	/nfs/dbraw/zinc/15/93/45/550159345.db2.gz	CIQOCNQOTWRGGE-UHFFFAOYSA-N	-1	2	370.409	2.300	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000327363850	553788511	/nfs/dbraw/zinc/78/85/11/553788511.db2.gz	XQXDZJSKYQJMHR-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000507008453	561713763	/nfs/dbraw/zinc/71/37/63/561713763.db2.gz	TTZOBWWDXWQDIN-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000507569832	561733688	/nfs/dbraw/zinc/73/36/88/561733688.db2.gz	SEMVHOPHWFPDAU-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000392194670	558616472	/nfs/dbraw/zinc/61/64/72/558616472.db2.gz	BGTRLFSEJAVXHW-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1F	ZINC000760362129	601987590	/nfs/dbraw/zinc/98/75/90/601987590.db2.gz	LYJVORZKDXWUPZ-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768886103	680963319	/nfs/dbraw/zinc/96/33/19/680963319.db2.gz	ARNUTVQDCRWUIV-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000070887567	541748689	/nfs/dbraw/zinc/74/86/89/541748689.db2.gz	OTNUBJFRXYGOJO-UHFFFAOYSA-N	-1	2	366.351	2.052	20	5		FEBDLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1	ZINC000326493657	553781092	/nfs/dbraw/zinc/78/10/92/553781092.db2.gz	GLYMGBKGIJADAO-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1C1CC1	ZINC000414389456	559160769	/nfs/dbraw/zinc/16/07/69/559160769.db2.gz	RCQBPTLUQSMFSI-UHFFFAOYSA-N	-1	2	367.339	2.268	20	5		FEBDLM
O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1	ZINC000740114867	599990459	/nfs/dbraw/zinc/99/04/59/599990459.db2.gz	LLWXKKSFRRYIFE-UHFFFAOYSA-N	-1	2	359.323	2.392	20	5		FEBDLM
C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815034888	674904438	/nfs/dbraw/zinc/90/44/38/674904438.db2.gz	FUHIZHCXIJDDFH-VIFPVBQESA-N	-1	2	365.814	2.150	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000325114985	553775352	/nfs/dbraw/zinc/77/53/52/553775352.db2.gz	LLASMSWQNJXBJZ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000326865034	553784017	/nfs/dbraw/zinc/78/40/17/553784017.db2.gz	WJBXUUHYZAMDTN-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000327240358	553787245	/nfs/dbraw/zinc/78/72/45/553787245.db2.gz	MNDMUZWSQBRFTE-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cncc(Cl)c2)cc([N+](=O)[O-])c1	ZINC000507024102	561714423	/nfs/dbraw/zinc/71/44/23/561714423.db2.gz	ZVTVBWYQLFQBRY-UHFFFAOYSA-N	-1	2	357.731	2.142	20	5		FEBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1	ZINC000513812262	561950943	/nfs/dbraw/zinc/95/09/43/561950943.db2.gz	IACKPINUNRYNFM-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nn1C(C)C	ZINC000421181909	559529482	/nfs/dbraw/zinc/52/94/82/559529482.db2.gz	JWFHKZPTJHRUCT-UHFFFAOYSA-N	-1	2	368.371	2.180	20	5		FEBDLM
Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1	ZINC000471126573	560998928	/nfs/dbraw/zinc/99/89/28/560998928.db2.gz	AUPQEVFXENFWJF-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)ccc1[O-]	ZINC000075581074	542190944	/nfs/dbraw/zinc/19/09/44/542190944.db2.gz	AQBDOWYVXHUASY-UHFFFAOYSA-N	-1	2	360.351	2.287	20	5		FEBDLM
COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471137014	560998984	/nfs/dbraw/zinc/99/89/84/560998984.db2.gz	OXOWYDFRMMLWJC-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1	ZINC000531282560	562440537	/nfs/dbraw/zinc/44/05/37/562440537.db2.gz	ZCDXDKZHUKARAF-UHFFFAOYSA-N	-1	2	356.331	2.260	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)sc1C(=O)[O-]	ZINC000832905838	601473321	/nfs/dbraw/zinc/47/33/21/601473321.db2.gz	WYLYVDKKMPQBHP-UHFFFAOYSA-N	-1	2	371.396	2.476	20	5		FEBDLM
COc1ccc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833730682	605324221	/nfs/dbraw/zinc/32/42/21/605324221.db2.gz	AOPUAZIEYLMQCO-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000619467138	676378205	/nfs/dbraw/zinc/37/82/05/676378205.db2.gz	PRCRNACJVSLSRD-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000795364822	683045427	/nfs/dbraw/zinc/04/54/27/683045427.db2.gz	ASCHHALZNBQZKU-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)cc([N+](=O)[O-])c1	ZINC000484536117	561299348	/nfs/dbraw/zinc/29/93/48/561299348.db2.gz	FZRIHRDEYKXQPV-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000327366539	553788738	/nfs/dbraw/zinc/78/87/38/553788738.db2.gz	YGIPDEBXRYIOLL-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000512786099	561915147	/nfs/dbraw/zinc/91/51/47/561915147.db2.gz	UIUVUDZZYFEXHD-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2	ZINC000378253141	558512157	/nfs/dbraw/zinc/51/21/57/558512157.db2.gz	QFMXTLWLBMQLNQ-ZDUSSCGKSA-N	-1	2	364.427	2.264	20	5		FEBDLM
Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2	ZINC000378253138	558512272	/nfs/dbraw/zinc/51/22/72/558512272.db2.gz	QFMXTLWLBMQLNQ-CYBMUJFWSA-N	-1	2	364.427	2.264	20	5		FEBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(C(C)C)n1	ZINC000479248415	561185837	/nfs/dbraw/zinc/18/58/37/561185837.db2.gz	GKGMNNFVBXJHIE-UHFFFAOYSA-N	-1	2	368.371	2.180	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-]	ZINC000739935348	602652623	/nfs/dbraw/zinc/65/26/23/602652623.db2.gz	NTBASZJDBWEKBT-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000619466532	676378003	/nfs/dbraw/zinc/37/80/03/676378003.db2.gz	VWRCAQHYZPQCTD-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
O=c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)[nH]1	ZINC000459300438	560678467	/nfs/dbraw/zinc/67/84/67/560678467.db2.gz	LQADAYXLDVUKIL-UHFFFAOYSA-N	-1	2	355.398	2.290	20	5		FEBDLM
Cc1c(NS(=O)(=O)c2cnn(C(C)C)c2)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600657493	673786914	/nfs/dbraw/zinc/78/69/14/673786914.db2.gz	KMSGKRWUFQGJBY-UHFFFAOYSA-N	-1	2	368.371	2.180	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000619466333	676378024	/nfs/dbraw/zinc/37/80/24/676378024.db2.gz	QDHWMDPSTURHMX-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768883592	680963317	/nfs/dbraw/zinc/96/33/17/680963317.db2.gz	YXLUKZHOXJJZAA-UHFFFAOYSA-N	-1	2	364.307	2.434	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000327300839	553787667	/nfs/dbraw/zinc/78/76/67/553787667.db2.gz	ZBKHPRDMKJRWGF-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-]	ZINC000833052584	601784843	/nfs/dbraw/zinc/78/48/43/601784843.db2.gz	BNOGWIKGEUUAHX-UHFFFAOYSA-N	-1	2	359.747	2.086	20	5		FEBDLM
O=C([O-])NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)Cc2ccccc2C1	ZINC000834153413	605712646	/nfs/dbraw/zinc/71/26/46/605712646.db2.gz	DKJQTPBEJNLIEI-UHFFFAOYSA-N	-1	2	357.322	2.044	20	5		FEBDLM
COc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000484550955	561299810	/nfs/dbraw/zinc/29/98/10/561299810.db2.gz	ZBDPXQIGAGYKJC-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000325847806	553778239	/nfs/dbraw/zinc/77/82/39/553778239.db2.gz	DTNJTSVQRRYMRJ-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000392739963	558619148	/nfs/dbraw/zinc/61/91/48/558619148.db2.gz	XQTPGNIBTIVHHM-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013358524	324375057	/nfs/dbraw/zinc/37/50/57/324375057.db2.gz	SIBIFTHFNYUBPC-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-]	ZINC000322257347	553768006	/nfs/dbraw/zinc/76/80/06/553768006.db2.gz	FVYYIYQUAVEOPQ-UHFFFAOYSA-N	-1	2	358.353	2.164	20	5		FEBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1O	ZINC000325613685	553777405	/nfs/dbraw/zinc/77/74/05/553777405.db2.gz	BWKSNVBIGKUNGI-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000327384192	553788569	/nfs/dbraw/zinc/78/85/69/553788569.db2.gz	PRVVBPQIFGDVLY-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000392390795	558617390	/nfs/dbraw/zinc/61/73/90/558617390.db2.gz	USAIOXCYVDRMKE-UHFFFAOYSA-N	-1	2	372.380	2.258	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)sc1C(=O)[O-]	ZINC000738250547	600054448	/nfs/dbraw/zinc/05/44/48/600054448.db2.gz	ZOXRXRNGSIHEMB-UHFFFAOYSA-N	-1	2	371.396	2.476	20	5		FEBDLM
COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000739923335	602652289	/nfs/dbraw/zinc/65/22/89/602652289.db2.gz	GLEKNDPKRBHEGO-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000619466258	676377913	/nfs/dbraw/zinc/37/79/13/676377913.db2.gz	DTIYGXOLCDIVOB-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000323868596	553770500	/nfs/dbraw/zinc/77/05/00/553770500.db2.gz	QWVYZHNILXMBRU-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000392132632	558615874	/nfs/dbraw/zinc/61/58/74/558615874.db2.gz	MPPYPZHZILHYPI-UHFFFAOYSA-N	-1	2	354.315	2.162	20	5		FEBDLM
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000433807394	559888101	/nfs/dbraw/zinc/88/81/01/559888101.db2.gz	GLKVQGIYGDQBTG-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COc1cc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000829217321	604300690	/nfs/dbraw/zinc/30/06/90/604300690.db2.gz	NLQQRMRKLPXLGI-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)ccc1[O-]	ZINC000121809552	543699875	/nfs/dbraw/zinc/69/98/75/543699875.db2.gz	GDUQLPBAHVNVFL-UHFFFAOYSA-N	-1	2	374.378	2.346	20	5		FEBDLM
Cc1ccc(-n2[n-]c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2=O)cc1	ZINC000092546492	325418947	/nfs/dbraw/zinc/41/89/47/325418947.db2.gz	BXGYQAFEMBARNO-UHFFFAOYSA-N	-1	2	354.322	2.340	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000226354111	548746857	/nfs/dbraw/zinc/74/68/57/548746857.db2.gz	SCQFITGTDZGWOX-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000325119980	553775580	/nfs/dbraw/zinc/77/55/80/553775580.db2.gz	TUYSXYSXRJDIMK-UHFFFAOYSA-N	-1	2	350.352	2.331	20	5		FEBDLM
Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1[N+](=O)[O-]	ZINC000436993272	559958919	/nfs/dbraw/zinc/95/89/19/559958919.db2.gz	AHLKHEIPXMMJKX-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1	ZINC000451010491	560282231	/nfs/dbraw/zinc/28/22/31/560282231.db2.gz	UTLXGHKPSVDESD-UHFFFAOYSA-N	-1	2	368.371	2.045	20	5		FEBDLM
COc1ccc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471120262	560998676	/nfs/dbraw/zinc/99/86/76/560998676.db2.gz	HBRDJOHLQQJDAD-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000563437221	674888122	/nfs/dbraw/zinc/88/81/22/674888122.db2.gz	WGQHHNBXUOZKAL-LBPRGKRZSA-N	-1	2	359.423	2.133	20	5		FEBDLM
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(F)cc1[N+](=O)[O-]	ZINC000590598166	672594983	/nfs/dbraw/zinc/59/49/83/672594983.db2.gz	QSWTZKLKKGEHFV-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1F	ZINC000760363152	680684343	/nfs/dbraw/zinc/68/43/43/680684343.db2.gz	TUFDSUPCANANLD-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
COc1ncc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499262520	561547191	/nfs/dbraw/zinc/54/71/91/561547191.db2.gz	BSUBYWUKGZGTHN-UHFFFAOYSA-N	-1	2	353.356	2.122	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F	ZINC000326179091	553779784	/nfs/dbraw/zinc/77/97/84/553779784.db2.gz	LQENGBFLTKMMNG-UHFFFAOYSA-N	-1	2	358.278	2.372	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000327319516	553788212	/nfs/dbraw/zinc/78/82/12/553788212.db2.gz	ZEJHVHCBQKRQAB-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
COc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000507027731	561714480	/nfs/dbraw/zinc/71/44/80/561714480.db2.gz	XIXPVJLPMVIJEW-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000436997218	559959207	/nfs/dbraw/zinc/95/92/07/559959207.db2.gz	WFNDSIFWXJICRH-UHFFFAOYSA-N	-1	2	366.351	2.362	20	5		FEBDLM
Cc1ccc(-c2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]n2)o1	ZINC000446622607	560148712	/nfs/dbraw/zinc/14/87/12/560148712.db2.gz	FBFMWAOOMMXNBJ-UHFFFAOYSA-N	-1	2	364.339	2.393	20	5		FEBDLM
CC(C)(C)n1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])cn1	ZINC000451009875	560282160	/nfs/dbraw/zinc/28/21/60/560282160.db2.gz	RPIOXJDSULYDKV-UHFFFAOYSA-N	-1	2	368.371	2.045	20	5		FEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1[N+](=O)[O-]	ZINC000532364778	562475372	/nfs/dbraw/zinc/47/53/72/562475372.db2.gz	YFFHOVOQONZJLZ-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000504665421	561660906	/nfs/dbraw/zinc/66/09/06/561660906.db2.gz	FNYHWVFFJVRHCM-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000326928918	553784601	/nfs/dbraw/zinc/78/46/01/553784601.db2.gz	WLLNMUFSMYQWJR-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c([N+](=O)[O-])c1	ZINC000467759443	560916608	/nfs/dbraw/zinc/91/66/08/560916608.db2.gz	SYCUMYVADJPZOW-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000571848298	670931147	/nfs/dbraw/zinc/93/11/47/670931147.db2.gz	WYVCVRBCNJYIRT-UHFFFAOYSA-N	-1	2	366.351	2.362	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000619467502	676378212	/nfs/dbraw/zinc/37/82/12/676378212.db2.gz	KPZABRRQUWBFIL-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000327289361	553787560	/nfs/dbraw/zinc/78/75/60/553787560.db2.gz	JJEJQNDEBCLQLL-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000327691589	553790653	/nfs/dbraw/zinc/79/06/53/553790653.db2.gz	SOUGANZFKOYFJX-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000393105346	558620214	/nfs/dbraw/zinc/62/02/14/558620214.db2.gz	IMDDLXULGNRMAI-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
Cc1nc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000832957770	602154279	/nfs/dbraw/zinc/15/42/79/602154279.db2.gz	KAYCJDJBVHCUJE-UHFFFAOYSA-N	-1	2	371.396	2.476	20	5		FEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000739873694	602645560	/nfs/dbraw/zinc/64/55/60/602645560.db2.gz	OYQOCCDJQSVURJ-UHFFFAOYSA-N	-1	2	367.339	2.494	20	5		FEBDLM
Cc1cccc(O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000537394048	673387796	/nfs/dbraw/zinc/38/77/96/673387796.db2.gz	JMCYUTGOUMNYDI-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c1	ZINC000432185757	559853660	/nfs/dbraw/zinc/85/36/60/559853660.db2.gz	MCQPQWILPHVLOQ-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOCC1CCCC1	ZINC000571505677	670883858	/nfs/dbraw/zinc/88/38/58/670883858.db2.gz	OUIJOKFYUDZFOD-UHFFFAOYSA-N	-1	2	372.399	2.242	20	5		FEBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000619466239	676377957	/nfs/dbraw/zinc/37/79/57/676377957.db2.gz	ASEKFTDAJJAXDM-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cn1ncc2c1[nH]cc(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c2=O	ZINC000119456407	326164661	/nfs/dbraw/zinc/16/46/61/326164661.db2.gz	DFTOLBPXIBXRHU-UHFFFAOYSA-N	-1	2	367.365	2.387	20	5		FEBDLM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000535402232	562557766	/nfs/dbraw/zinc/55/77/66/562557766.db2.gz	RTSGCSHVYYGAFM-UHFFFAOYSA-N	-1	2	354.315	2.321	20	5		FEBDLM
O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000833297167	600867455	/nfs/dbraw/zinc/86/74/55/600867455.db2.gz	JUDTWNPWBCFPGF-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
CCn1nc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C1CC1	ZINC000267327584	329315308	/nfs/dbraw/zinc/31/53/08/329315308.db2.gz	FDMAOLUYCZIOLH-UHFFFAOYSA-N	-1	2	352.372	2.195	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000324852720	553774075	/nfs/dbraw/zinc/77/40/75/553774075.db2.gz	FIPDOUYERPLFDX-UHFFFAOYSA-N	-1	2	356.312	2.004	20	5		FEBDLM
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000748673641	679986633	/nfs/dbraw/zinc/98/66/33/679986633.db2.gz	FRMOFFSAMNMYOT-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
CC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000760334489	680683375	/nfs/dbraw/zinc/68/33/75/680683375.db2.gz	HQVJEENSMMEDCT-UHFFFAOYSA-N	-1	2	364.335	2.296	20	5		FEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000326689370	553782595	/nfs/dbraw/zinc/78/25/95/553782595.db2.gz	QKDWFIHSDRVWPY-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C(=O)[O-]	ZINC000432782133	559864762	/nfs/dbraw/zinc/86/47/62/559864762.db2.gz	VOCZGLRGJAGDFB-UHFFFAOYSA-N	-1	2	372.380	2.472	20	5		FEBDLM
Cc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471126025	560998848	/nfs/dbraw/zinc/99/88/48/560998848.db2.gz	UZQJGWOIEQXOKF-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471133318	560998969	/nfs/dbraw/zinc/99/89/69/560998969.db2.gz	NVRWOWXHGVPUCP-UHFFFAOYSA-N	-1	2	366.351	2.493	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1C	ZINC000832905750	601602766	/nfs/dbraw/zinc/60/27/66/601602766.db2.gz	SSXILJMDLCVKIC-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000579781066	671759608	/nfs/dbraw/zinc/75/96/08/671759608.db2.gz	MCUQXCMPSBWUIP-UHFFFAOYSA-N	-1	2	366.351	2.031	20	5		FEBDLM
Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1O	ZINC000610662938	675987617	/nfs/dbraw/zinc/98/76/17/675987617.db2.gz	BAHGIHRBAMHCMJ-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1	ZINC000282381715	551220330	/nfs/dbraw/zinc/22/03/30/551220330.db2.gz	GBLSKFVXHLTHGX-UHFFFAOYSA-N	-1	2	371.393	2.034	20	5		FEBDLM
O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000504507367	561659059	/nfs/dbraw/zinc/65/90/59/561659059.db2.gz	ICNNJOCVMQTFGM-UHFFFAOYSA-N	-1	2	372.380	2.311	20	5		FEBDLM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000327745110	553791192	/nfs/dbraw/zinc/79/11/92/553791192.db2.gz	GEACRWZFWMYVDU-UHFFFAOYSA-N	-1	2	370.314	2.247	20	5		FEBDLM
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000410407139	558755515	/nfs/dbraw/zinc/75/55/15/558755515.db2.gz	NOYJQXWYCWDZKB-UHFFFAOYSA-N	-1	2	366.351	2.493	20	5		FEBDLM
COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432190102	559853912	/nfs/dbraw/zinc/85/39/12/559853912.db2.gz	DSGZZPNUBRTMAO-UHFFFAOYSA-N	-1	2	352.324	2.102	20	5		FEBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1[N+](=O)[O-]	ZINC000466971653	560900658	/nfs/dbraw/zinc/90/06/58/560900658.db2.gz	UMIVZKCXBFTMEY-UHFFFAOYSA-N	-1	2	358.353	2.169	20	5		FEBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832905044	604625001	/nfs/dbraw/zinc/62/50/01/604625001.db2.gz	ATGKISHVUDMOBE-UHFFFAOYSA-N	-1	2	371.396	2.178	20	5		FEBDLM
Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])s1	ZINC000833754809	605327741	/nfs/dbraw/zinc/32/77/41/605327741.db2.gz	JSFLAYSCULDESH-UHFFFAOYSA-N	-1	2	357.369	2.167	20	5		FEBDLM
C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815034887	674904517	/nfs/dbraw/zinc/90/45/17/674904517.db2.gz	FUHIZHCXIJDDFH-SECBINFHSA-N	-1	2	365.814	2.150	20	5		FEBDLM
Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(F)cc1[N+](=O)[O-]	ZINC000590598132	672595034	/nfs/dbraw/zinc/59/50/34/672595034.db2.gz	OHVQNCZRLMXUNL-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1	ZINC000499270709	561547352	/nfs/dbraw/zinc/54/73/52/561547352.db2.gz	GVDSOKFGGUISJH-UHFFFAOYSA-N	-1	2	366.277	2.152	20	5		FEBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1O	ZINC000323881972	553770628	/nfs/dbraw/zinc/77/06/28/553770628.db2.gz	UUTVFUQWPYGCPJ-UHFFFAOYSA-N	-1	2	372.742	2.453	20	5		FEBDLM
COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-]	ZINC000326887414	553784467	/nfs/dbraw/zinc/78/44/67/553784467.db2.gz	DCIQHBKZPDCWGY-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000507579243	561733979	/nfs/dbraw/zinc/73/39/79/561733979.db2.gz	CNVBOEOVPPDGPA-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471110917	560998478	/nfs/dbraw/zinc/99/84/78/560998478.db2.gz	XIAVYUMNRRFLPT-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000485250430	561315747	/nfs/dbraw/zinc/31/57/47/561315747.db2.gz	DPZUFGDNJPAKAW-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000324175505	553771487	/nfs/dbraw/zinc/77/14/87/553771487.db2.gz	GRRFAUWLEKRSPG-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000436749545	559950823	/nfs/dbraw/zinc/95/08/23/559950823.db2.gz	KCQIANFFJPBQMR-UHFFFAOYSA-N	-1	2	358.353	2.169	20	5		FEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1F	ZINC000762442497	602111575	/nfs/dbraw/zinc/11/15/75/602111575.db2.gz	CUBIPRIHVUEACR-UHFFFAOYSA-N	-1	2	368.342	2.470	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000484549317	561299589	/nfs/dbraw/zinc/29/95/89/561299589.db2.gz	XAFPOIUDNXVJST-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000277474456	550675136	/nfs/dbraw/zinc/67/51/36/550675136.db2.gz	ZLONYPJEFQJRRC-UHFFFAOYSA-N	-1	2	369.683	2.349	20	5		FEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000327310093	553788055	/nfs/dbraw/zinc/78/80/55/553788055.db2.gz	NYOHQUZPDLBEIT-UHFFFAOYSA-N	-1	2	366.351	2.411	20	5		FEBDLM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000327684571	553790587	/nfs/dbraw/zinc/79/05/87/553790587.db2.gz	PCPUUVPPZWASGO-UHFFFAOYSA-N	-1	2	370.314	2.242	20	5		FEBDLM
Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447339860	560160486	/nfs/dbraw/zinc/16/04/86/560160486.db2.gz	IIVNXSCUQBKRFG-UHFFFAOYSA-N	-1	2	355.328	2.007	20	5		FEBDLM
COc1ccc(OCCS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000467772280	560916984	/nfs/dbraw/zinc/91/69/84/560916984.db2.gz	NMFHHHVVBCQNMV-UHFFFAOYSA-N	-1	2	368.367	2.130	20	5		FEBDLM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](C2N=NC(=O)O2)C1	ZINC000584842315	672221695	/nfs/dbraw/zinc/22/16/95/672221695.db2.gz	YSFYCOVXWSKXQE-ZETCQYMHSA-N	-1	2	368.733	2.062	20	5		FEBDLM
Cc1cccc(O)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000538495814	673443361	/nfs/dbraw/zinc/44/33/61/673443361.db2.gz	CCEWRNWMUUJNMS-UHFFFAOYSA-N	-1	2	352.324	2.108	20	5		FEBDLM
CC(C)Oc1ncccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603980351	675802675	/nfs/dbraw/zinc/80/26/75/675802675.db2.gz	MIWQZKXYEHRUHR-UHFFFAOYSA-N	-1	2	353.356	2.283	20	5		FEBDLM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnc1Cl	ZINC000760366537	680684591	/nfs/dbraw/zinc/68/45/91/680684591.db2.gz	ZYFUBMCWWDHOKK-UHFFFAOYSA-N	-1	2	371.758	2.451	20	5		FEBDLM