smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC001605152726	972838157	/nfs/dbraw/zinc/83/81/57/972838157.db2.gz	BGTNHDFRDUAIRC-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1[O-]	ZINC000194157545	510241691	/nfs/dbraw/zinc/24/16/91/510241691.db2.gz	ZVMSOCFBWNABGD-UHFFFAOYSA-N	-2	1	351.365	2.711	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000327875672	511881871	/nfs/dbraw/zinc/88/18/71/511881871.db2.gz	BFAYXFNAANRKCP-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000393207615	512931477	/nfs/dbraw/zinc/93/14/77/512931477.db2.gz	PMFISRSTMAIFEA-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000447346700	513454255	/nfs/dbraw/zinc/45/42/55/513454255.db2.gz	XZCCTETVLSNHND-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432202556	514125483	/nfs/dbraw/zinc/12/54/83/514125483.db2.gz	PHXLWGCKNVUJLZ-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1F	ZINC000508249788	514721295	/nfs/dbraw/zinc/72/12/95/514721295.db2.gz	SSTGZHNQEKQBDH-UHFFFAOYSA-N	-2	1	374.321	2.696	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C	ZINC000547871135	516611124	/nfs/dbraw/zinc/61/11/24/516611124.db2.gz	FKVZGPPPMHACGU-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccccc1CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000547915068	516632165	/nfs/dbraw/zinc/63/21/65/516632165.db2.gz	VIQBMJAHPTUXCZ-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
O=[N+]([O-])c1c[nH]c2nc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)ccc12	ZINC001167931427	978128395	/nfs/dbraw/zinc/12/83/95/978128395.db2.gz	CZLQNGJAMJDZRD-UHFFFAOYSA-N	-2	1	374.293	2.556	20	5		FFBDML
O=[N+]([O-])c1cc(Cl)nc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1	ZINC001157157491	1029484868	/nfs/dbraw/zinc/48/48/68/1029484868.db2.gz	ZWVQXDHGOFMWEO-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000327949316	511882750	/nfs/dbraw/zinc/88/27/50/511882750.db2.gz	RPDHOPMRYMUZNL-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000471122125	514760634	/nfs/dbraw/zinc/76/06/34/514760634.db2.gz	WPJUBFRFKGXIDH-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485200760	514953225	/nfs/dbraw/zinc/95/32/25/514953225.db2.gz	BZPWINSWBRUCDK-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000543649688	516344589	/nfs/dbraw/zinc/34/45/89/516344589.db2.gz	DTRGVQZTPJSFKC-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CCc1[n-][nH]c(=NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1Br	ZINC000506712819	561706851	/nfs/dbraw/zinc/70/68/51/561706851.db2.gz	DLEUBHLLAPTGCK-UHFFFAOYSA-N	-2	1	355.148	2.601	20	5		FFBDML
C=CC(=O)OC[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12	ZINC001234122973	1036929738	/nfs/dbraw/zinc/92/97/38/1036929738.db2.gz	CXPQOVRJCHGBOP-SECBINFHSA-N	-2	1	372.329	2.560	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000325581364	511848881	/nfs/dbraw/zinc/84/88/81/511848881.db2.gz	LBZXQKVJHQFFHG-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])c1	ZINC000392978667	512930593	/nfs/dbraw/zinc/93/05/93/512930593.db2.gz	OBDKFNCLLPWTDY-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1	ZINC000499170244	515226713	/nfs/dbraw/zinc/22/67/13/515226713.db2.gz	WVAHEUSMTCJGJV-UHFFFAOYSA-N	-2	1	367.383	2.592	20	5		FFBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c([N+](=O)[O-])c1	ZINC000740178016	599802067	/nfs/dbraw/zinc/80/20/67/599802067.db2.gz	ZSPPNQCUSSJBGN-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000769621392	737547702	/nfs/dbraw/zinc/54/77/02/737547702.db2.gz	OROHHCOHJQILJJ-UHFFFAOYSA-N	-2	1	367.339	2.626	20	5		FFBDML
Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000324894864	511841086	/nfs/dbraw/zinc/84/10/86/511841086.db2.gz	NALPUFZDJSOASL-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
COc1cc(C)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000447273818	513433445	/nfs/dbraw/zinc/43/34/45/513433445.db2.gz	INWDQGVHANOFHG-UHFFFAOYSA-N	-2	1	352.368	2.727	20	5		FFBDML
CCCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000479555892	514628756	/nfs/dbraw/zinc/62/87/56/514628756.db2.gz	GFYNFUYDIIBNKX-UHFFFAOYSA-N	-2	1	367.383	2.675	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C(=O)[O-])c1	ZINC000507583184	516252669	/nfs/dbraw/zinc/25/26/69/516252669.db2.gz	LUGZRHRWFPVJFD-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1C	ZINC000548544073	517045330	/nfs/dbraw/zinc/04/53/30/517045330.db2.gz	URPDWQUEYNXSBR-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc([N+](=O)[O-])c1F	ZINC000833900896	605479952	/nfs/dbraw/zinc/47/99/52/605479952.db2.gz	FYIDAHDOZNMKMT-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000776535742	738204132	/nfs/dbraw/zinc/20/41/32/738204132.db2.gz	XEVVHRLCHGARDO-GFCCVEGCSA-N	-2	1	370.408	2.541	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000363795318	511772254	/nfs/dbraw/zinc/77/22/54/511772254.db2.gz	NSVFTSSVRGECDZ-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1[N+](=O)[O-]	ZINC000391931454	512920359	/nfs/dbraw/zinc/92/03/59/512920359.db2.gz	SXLRWLCCIZMLAF-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1	ZINC000447337360	513452301	/nfs/dbraw/zinc/45/23/01/513452301.db2.gz	GGAVRZQKKPHKBO-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1F	ZINC000484541012	514681030	/nfs/dbraw/zinc/68/10/30/514681030.db2.gz	FSSFWHLPEWYBMG-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccncc21	ZINC000536572938	516831082	/nfs/dbraw/zinc/83/10/82/516831082.db2.gz	AMPQZWONLNAHSX-UHFFFAOYSA-N	-2	1	359.363	2.958	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000532845464	517164841	/nfs/dbraw/zinc/16/48/41/517164841.db2.gz	XUYLRPACJNUZOI-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)ccc1[O-]	ZINC000515632165	517430232	/nfs/dbraw/zinc/43/02/32/517430232.db2.gz	MZAULSVVFRGHSH-UHFFFAOYSA-N	-2	1	360.294	2.703	20	5		FFBDML
C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000594673617	520076715	/nfs/dbraw/zinc/07/67/15/520076715.db2.gz	QQSFSRIKVYVMHQ-SSDOTTSWSA-N	-2	1	370.305	2.623	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000609657952	520395701	/nfs/dbraw/zinc/39/57/01/520395701.db2.gz	XDNLZAPSTGRGHE-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
COc1cccc(Cc2n[n-]c(=NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c1	ZINC000500955696	561586543	/nfs/dbraw/zinc/58/65/43/561586543.db2.gz	DRGJSKBNQDBHDJ-UHFFFAOYSA-N	-2	1	359.367	2.626	20	5		FFBDML
O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000920314302	737900226	/nfs/dbraw/zinc/90/02/26/737900226.db2.gz	RBYAIBFNARYLDF-UHFFFAOYSA-N	-2	1	364.807	2.562	20	5		FFBDML
CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC001597600609	988453727	/nfs/dbraw/zinc/45/37/27/988453727.db2.gz	IBBUYCCIHCNRSS-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
COc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000391495635	512916787	/nfs/dbraw/zinc/91/67/87/512916787.db2.gz	GNCABIFBMJJSHI-UHFFFAOYSA-N	-2	1	358.759	2.763	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1F	ZINC000447337321	513452482	/nfs/dbraw/zinc/45/24/82/513452482.db2.gz	FVAOZZFTYLIYFS-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447340508	513452955	/nfs/dbraw/zinc/45/29/55/513452955.db2.gz	KRADNKLLJNEALE-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000484531528	514676986	/nfs/dbraw/zinc/67/69/86/514676986.db2.gz	GTTQVKALUWDHRQ-UHFFFAOYSA-N	-2	1	364.379	2.803	20	5		FFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-]	ZINC000471109666	514755415	/nfs/dbraw/zinc/75/54/15/514755415.db2.gz	ZCOAUNMSZCBWMP-UHFFFAOYSA-N	-2	1	362.363	2.583	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000491830733	515473219	/nfs/dbraw/zinc/47/32/19/515473219.db2.gz	FPQJPFVIUSKNSN-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000512728057	516338263	/nfs/dbraw/zinc/33/82/63/516338263.db2.gz	CIHOSVFVLAPZDN-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Br	ZINC000132315621	605092754	/nfs/dbraw/zinc/09/27/54/605092754.db2.gz	TXVHSUDVKNYALE-UHFFFAOYSA-N	-2	1	354.116	2.636	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000811723471	741553233	/nfs/dbraw/zinc/55/32/33/741553233.db2.gz	NWVKHVFVWMICLF-UHFFFAOYSA-N	-2	1	367.339	2.572	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(=O)[O-]	ZINC000324781262	511839493	/nfs/dbraw/zinc/83/94/93/511839493.db2.gz	GTGXLMHAIGVRRJ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000326975363	511867419	/nfs/dbraw/zinc/86/74/19/511867419.db2.gz	RUPNSMCDGOSHPB-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000327161693	511869591	/nfs/dbraw/zinc/86/95/91/511869591.db2.gz	LFDPLPZHEDNWDK-UHFFFAOYSA-N	-2	1	364.379	2.758	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000327531533	511877108	/nfs/dbraw/zinc/87/71/08/511877108.db2.gz	UZJGWAMPMATROO-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000378556855	512822170	/nfs/dbraw/zinc/82/21/70/512822170.db2.gz	XQQRWSBVNZJJHB-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432200672	514124433	/nfs/dbraw/zinc/12/44/33/514124433.db2.gz	AOZXCDXTXIELBP-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc([N+](=O)[O-])c1	ZINC000484541793	514682222	/nfs/dbraw/zinc/68/22/22/514682222.db2.gz	PJRVXAZHPDBNFP-UHFFFAOYSA-N	-2	1	373.346	2.642	20	5		FFBDML
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OCC(F)(F)F)c1	ZINC000740156233	599807746	/nfs/dbraw/zinc/80/77/46/599807746.db2.gz	KFKWPLRPUJQEGD-UHFFFAOYSA-N	-2	1	373.243	2.815	20	5		FFBDML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000326901166	511865320	/nfs/dbraw/zinc/86/53/20/511865320.db2.gz	KBGVMSCPDQDEJL-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000327976799	511884461	/nfs/dbraw/zinc/88/44/61/511884461.db2.gz	XVAUQRRIJIVPCV-UHFFFAOYSA-N	-2	1	364.379	2.585	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000476781016	515192469	/nfs/dbraw/zinc/19/24/69/515192469.db2.gz	WGMFQSMKFJHSTD-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1F	ZINC000547869336	516610582	/nfs/dbraw/zinc/61/05/82/516610582.db2.gz	ISTBIZXXKZYHKC-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000569893773	518342609	/nfs/dbraw/zinc/34/26/09/518342609.db2.gz	TUSUMTSXUWQBLG-SNVBAGLBSA-N	-2	1	364.445	2.606	20	5		FFBDML
CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000780418630	738542230	/nfs/dbraw/zinc/54/22/30/738542230.db2.gz	SIPNXCICHWSXKP-UHFFFAOYSA-N	-2	1	364.379	2.921	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1F	ZINC000760364508	736633074	/nfs/dbraw/zinc/63/30/74/736633074.db2.gz	CMDQXKRHDAAUJT-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC000793348627	739770645	/nfs/dbraw/zinc/77/06/45/739770645.db2.gz	AEBDAHLVHNKLAP-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
C=CC(=O)OC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12	ZINC001234122974	1036928689	/nfs/dbraw/zinc/92/86/89/1036928689.db2.gz	CXPQOVRJCHGBOP-VIFPVBQESA-N	-2	1	372.329	2.560	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1	ZINC000158911139	508767628	/nfs/dbraw/zinc/76/76/28/508767628.db2.gz	XDVOPMIRTAUSLH-UHFFFAOYSA-N	-2	1	374.378	2.595	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1	ZINC000484549886	514684746	/nfs/dbraw/zinc/68/47/46/514684746.db2.gz	DGUIWHAQXOOBFJ-UHFFFAOYSA-N	-2	1	362.363	2.583	20	5		FFBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000572548530	518242518	/nfs/dbraw/zinc/24/25/18/518242518.db2.gz	WRMUWQBSNWZFFU-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000793350016	739771013	/nfs/dbraw/zinc/77/10/13/739771013.db2.gz	CMUORTJNBRQGSN-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)[O-])c1	ZINC000323861132	511831426	/nfs/dbraw/zinc/83/14/26/511831426.db2.gz	OWILLAASIXVILT-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)ccc1[O-]	ZINC000439981993	513222572	/nfs/dbraw/zinc/22/25/72/513222572.db2.gz	SCLWRGZIKUOVKK-UHFFFAOYSA-N	-2	1	360.347	2.960	20	5		FFBDML
CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000433602555	514527860	/nfs/dbraw/zinc/52/78/60/514527860.db2.gz	DSTLSSYXRFRWPA-UHFFFAOYSA-N	-2	1	350.352	2.694	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)CC23CCC(CC2)C3)cc([N+](=O)[O-])c1	ZINC000461330757	514569515	/nfs/dbraw/zinc/56/95/15/514569515.db2.gz	FFFTXTICUDFVAY-UHFFFAOYSA-N	-2	1	354.384	2.615	20	5		FFBDML
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471115012	514756836	/nfs/dbraw/zinc/75/68/36/514756836.db2.gz	XRDQHSXMYJOFQI-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc(C)c1F	ZINC000548525414	517034948	/nfs/dbraw/zinc/03/49/48/517034948.db2.gz	FMMVKXBUHGCHGA-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000573180300	518541169	/nfs/dbraw/zinc/54/11/69/518541169.db2.gz	INZNNDPHCOUHHO-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000739666134	599724578	/nfs/dbraw/zinc/72/45/78/599724578.db2.gz	JQMOXZBTFLTENM-UHFFFAOYSA-N	-2	1	364.807	2.562	20	5		FFBDML
O=C([O-])CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1	ZINC000739742974	599874880	/nfs/dbraw/zinc/87/48/80/599874880.db2.gz	PWVMMZXLZXZZGS-UHFFFAOYSA-N	-2	1	365.367	2.555	20	5		FFBDML
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-]	ZINC000749143798	735697935	/nfs/dbraw/zinc/69/79/35/735697935.db2.gz	MWEVGSFQEIFKNH-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1ccc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000768880877	737471259	/nfs/dbraw/zinc/47/12/59/737471259.db2.gz	FDJYIBRBTFHKTB-UHFFFAOYSA-N	-2	1	360.344	2.603	20	5		FFBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000324332121	511834779	/nfs/dbraw/zinc/83/47/79/511834779.db2.gz	WVJUSNOQARBNQQ-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1	ZINC000325000105	511843533	/nfs/dbraw/zinc/84/35/33/511843533.db2.gz	ZEGACKRQUGEBPN-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000392948748	512928885	/nfs/dbraw/zinc/92/88/85/512928885.db2.gz	CFANDIWJATZRAD-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000777937102	605289436	/nfs/dbraw/zinc/28/94/36/605289436.db2.gz	KULXBXZNXVHMBV-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000833744901	605289449	/nfs/dbraw/zinc/28/94/49/605289449.db2.gz	LPIOYGKAUUJIBC-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000753767671	736092821	/nfs/dbraw/zinc/09/28/21/736092821.db2.gz	BGUMSIAMNJXXCJ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
COc1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1[N+](=O)[O-]	ZINC001167935903	978193364	/nfs/dbraw/zinc/19/33/64/978193364.db2.gz	FLAKUKYEELWRHH-UHFFFAOYSA-N	-2	1	364.294	2.688	20	5		FFBDML
Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC001116446119	1021221066	/nfs/dbraw/zinc/22/10/66/1021221066.db2.gz	XVZVLZNOLWAXLQ-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21	ZINC000190848511	510371719	/nfs/dbraw/zinc/37/17/19/510371719.db2.gz	ZYCBJARKTAERCA-UHFFFAOYSA-N	-2	1	361.379	2.901	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000326308588	511855420	/nfs/dbraw/zinc/85/54/20/511855420.db2.gz	KOHUCDNOUOYOAW-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000432192640	514122236	/nfs/dbraw/zinc/12/22/36/514122236.db2.gz	OBUMWNKJYUQDSL-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
Cc1ccc(F)c(-c2cc(=NC(=O)c3cc([O-])ccc3[N+](=O)[O-])[nH][n-]2)c1	ZINC000507143878	516103287	/nfs/dbraw/zinc/10/32/87/516103287.db2.gz	HXYJAYWSXYJWOK-UHFFFAOYSA-N	-2	1	356.313	2.812	20	5		FFBDML
C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000594672793	520077675	/nfs/dbraw/zinc/07/76/75/520077675.db2.gz	CDUFNNIARLLQFM-ZETCQYMHSA-N	-2	1	370.305	2.623	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)ccc1[N+](=O)[O-]	ZINC000610111274	520546389	/nfs/dbraw/zinc/54/63/89/520546389.db2.gz	LOALCQODZZQAAB-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1	ZINC000611305108	521090725	/nfs/dbraw/zinc/09/07/25/521090725.db2.gz	SCFQLHBFFFIEFB-UHFFFAOYSA-N	-2	1	362.363	2.971	20	5		FFBDML
O=C([O-])Nc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c([O-])c1	ZINC000834258561	605381881	/nfs/dbraw/zinc/38/18/81/605381881.db2.gz	QSOJVZHWAVFSRA-UHFFFAOYSA-N	-2	1	357.322	2.589	20	5		FFBDML
Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000156983160	508506036	/nfs/dbraw/zinc/50/60/36/508506036.db2.gz	JHDWISQBLNIGIY-UHFFFAOYSA-N	-2	1	362.367	2.594	20	5		FFBDML
Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000126059154	509059034	/nfs/dbraw/zinc/05/90/34/509059034.db2.gz	HJLKUOBKWVUJJD-UHFFFAOYSA-N	-2	1	374.378	2.595	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000327023960	511866909	/nfs/dbraw/zinc/86/69/09/511866909.db2.gz	PNCXYURFZJYIBH-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
CSc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000509089705	515017811	/nfs/dbraw/zinc/01/78/11/515017811.db2.gz	LMWXVOZGSLUSCR-UHFFFAOYSA-N	-2	1	368.392	2.816	20	5		FFBDML
CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C	ZINC000477240792	515381016	/nfs/dbraw/zinc/38/10/16/515381016.db2.gz	AAGVTNVUHYWODP-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccccc1CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000547868633	516609843	/nfs/dbraw/zinc/60/98/43/516609843.db2.gz	AGEHHAJQCKXNGS-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000739436943	599882305	/nfs/dbraw/zinc/88/23/05/599882305.db2.gz	WZWAYZMGZDLVAL-UHFFFAOYSA-N	-2	1	373.346	2.538	20	5		FFBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000739710759	600539963	/nfs/dbraw/zinc/53/99/63/600539963.db2.gz	GPIDPAGVSOPADT-UHFFFAOYSA-N	-2	1	370.774	2.759	20	5		FFBDML
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000828803968	601268782	/nfs/dbraw/zinc/26/87/82/601268782.db2.gz	FHWYHIQNRZCRIZ-UHFFFAOYSA-N	-2	1	364.807	2.560	20	5		FFBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1	ZINC000739711718	735057760	/nfs/dbraw/zinc/05/77/60/735057760.db2.gz	PCTHPBRQLCGEMQ-UHFFFAOYSA-N	-2	1	370.774	2.759	20	5		FFBDML
O=C([O-])CSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000912731618	737335128	/nfs/dbraw/zinc/33/51/28/737335128.db2.gz	OMSIIHCRUZTHEA-UHFFFAOYSA-N	-2	1	368.392	2.572	20	5		FFBDML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Br)c([O-])c1	ZINC001344595799	1052852591	/nfs/dbraw/zinc/85/25/91/1052852591.db2.gz	VZUSBBPDCGBTOL-UHFFFAOYSA-N	-2	1	373.184	2.864	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000013464883	506943520	/nfs/dbraw/zinc/94/35/20/506943520.db2.gz	YYKKHNNRDNHUAN-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1[O-]	ZINC000193799316	510076406	/nfs/dbraw/zinc/07/64/06/510076406.db2.gz	TXHAUVVDOTVIOH-UHFFFAOYSA-N	-2	1	361.335	2.756	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F	ZINC000471122244	514761170	/nfs/dbraw/zinc/76/11/70/514761170.db2.gz	WZFXHBLJJCKNOT-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000485221849	514963191	/nfs/dbraw/zinc/96/31/91/514963191.db2.gz	IPJAYFXSKRKPDU-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000543952169	516510263	/nfs/dbraw/zinc/51/02/63/516510263.db2.gz	APCRBSWAFQLLJL-UHFFFAOYSA-N	-2	1	370.770	2.957	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000542729636	517708027	/nfs/dbraw/zinc/70/80/27/517708027.db2.gz	YWMXFOKAPSUNMP-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000157367973	728871029	/nfs/dbraw/zinc/87/10/29/728871029.db2.gz	JSWMCYKNSRSHKC-UHFFFAOYSA-N	-2	1	357.775	2.766	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc([N+](=O)[O-])c1F	ZINC000768285295	737411317	/nfs/dbraw/zinc/41/13/17/737411317.db2.gz	NRFKGLJPJAHUGG-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1	ZINC000793349220	739771123	/nfs/dbraw/zinc/77/11/23/739771123.db2.gz	LJBVJCZNMJULJH-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C(N=c1[n-]nc([C@@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000432618511	514242931	/nfs/dbraw/zinc/24/29/31/514242931.db2.gz	CLBLCVNIWKGCJM-GFCCVEGCSA-N	-2	1	369.406	2.917	20	5		FFBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1	ZINC000833231916	601410198	/nfs/dbraw/zinc/41/01/98/601410198.db2.gz	FTGXTTYXJIADKC-UHFFFAOYSA-N	-2	1	370.774	2.759	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc(C(=O)[O-])c1	ZINC000795366435	740011052	/nfs/dbraw/zinc/01/10/52/740011052.db2.gz	TWLNEGCCACLPLC-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=[N+]([O-])c1c(Cl)ccnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001157157211	1029484974	/nfs/dbraw/zinc/48/49/74/1029484974.db2.gz	VFXKUPVHVBCAMX-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1C	ZINC000013307156	506937731	/nfs/dbraw/zinc/93/77/31/506937731.db2.gz	NMHGYWOCQBWGAQ-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000326706063	511862614	/nfs/dbraw/zinc/86/26/14/511862614.db2.gz	XPFMGQWOANRFOI-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000328245347	511887536	/nfs/dbraw/zinc/88/75/36/511887536.db2.gz	AXZKOENSJOKDTI-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447346110	513454313	/nfs/dbraw/zinc/45/43/13/513454313.db2.gz	BGSVYGAZWMIEJG-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F	ZINC000485212648	514958143	/nfs/dbraw/zinc/95/81/43/514958143.db2.gz	RXJXYQKYFBXYBT-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
COc1cc(C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499158166	515222752	/nfs/dbraw/zinc/22/27/52/515222752.db2.gz	WMEDPPAODSFQSC-UHFFFAOYSA-N	-2	1	352.368	2.727	20	5		FFBDML
O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000507282096	516155195	/nfs/dbraw/zinc/15/51/95/516155195.db2.gz	OEWVUWXKSFRVIS-UHFFFAOYSA-N	-2	1	360.276	2.643	20	5		FFBDML
O=C([O-])c1c([N-]S(=O)(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000547890678	516621162	/nfs/dbraw/zinc/62/11/62/516621162.db2.gz	ZZFQLPUPBFNLLC-UHFFFAOYSA-N	-2	1	370.770	2.888	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000530648912	517899307	/nfs/dbraw/zinc/89/93/07/517899307.db2.gz	NMLOJRFLFVROEI-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)cc1[N+](=O)[O-]	ZINC000590597970	519281892	/nfs/dbraw/zinc/28/18/92/519281892.db2.gz	GLSRDITZOVSSAK-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C(=O)[O-])c1	ZINC000759075699	736545169	/nfs/dbraw/zinc/54/51/69/736545169.db2.gz	MOCHAYQELTWPHT-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C(=O)[O-]	ZINC000777933861	738332588	/nfs/dbraw/zinc/33/25/88/738332588.db2.gz	XLVQMXKUZHDWDU-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000327436444	511875448	/nfs/dbraw/zinc/87/54/48/511875448.db2.gz	FSISAQANTCIBCI-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000327689696	511880894	/nfs/dbraw/zinc/88/08/94/511880894.db2.gz	RNRUEIJUJRKLOI-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471123896	514762991	/nfs/dbraw/zinc/76/29/91/514762991.db2.gz	IKQYUBCNWKLVSM-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000757926881	736436575	/nfs/dbraw/zinc/43/65/75/736436575.db2.gz	WVMWYFOAUKYGGC-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2n[n-]c(=S)n2c1	ZINC000774088926	737959808	/nfs/dbraw/zinc/95/98/08/737959808.db2.gz	MWAOWJQSOFKIIX-UHFFFAOYSA-N	-2	1	365.758	2.538	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1C	ZINC000013305593	506935270	/nfs/dbraw/zinc/93/52/70/506935270.db2.gz	MNSXIMYPUIWPCU-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(=O)[O-]	ZINC000484788073	514797413	/nfs/dbraw/zinc/79/74/13/514797413.db2.gz	JIXMYPGDILXXON-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000536702518	516899767	/nfs/dbraw/zinc/89/97/67/516899767.db2.gz	IWRZXEUUNWWZOD-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1	ZINC000548524184	517033194	/nfs/dbraw/zinc/03/31/94/517033194.db2.gz	KIIKKGOBSRLIHJ-UHFFFAOYSA-N	-2	1	373.346	2.642	20	5		FFBDML
Cc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000589062408	518905346	/nfs/dbraw/zinc/90/53/46/518905346.db2.gz	WPZWNNZGMQOUPT-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738655189	600100791	/nfs/dbraw/zinc/10/07/91/600100791.db2.gz	MJLYKFUJNJZFGF-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000738305358	600100936	/nfs/dbraw/zinc/10/09/36/600100936.db2.gz	OLMFZIYNYBYWGQ-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000752862142	736018453	/nfs/dbraw/zinc/01/84/53/736018453.db2.gz	ZGHNOHDOUNDXQS-UHFFFAOYSA-N	-2	1	350.352	2.612	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1C(=O)[O-]	ZINC000777936063	738332933	/nfs/dbraw/zinc/33/29/33/738332933.db2.gz	YIRINRWLCBDROQ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000323988211	511832916	/nfs/dbraw/zinc/83/29/16/511832916.db2.gz	BRPLPYJAQCYVEL-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cccc1[N+](=O)[O-]	ZINC000326345898	511857826	/nfs/dbraw/zinc/85/78/26/511857826.db2.gz	WWNHPXBGRPAHMX-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1	ZINC000484576618	514700037	/nfs/dbraw/zinc/70/00/37/514700037.db2.gz	RYUBMFAGZSRJFH-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1	ZINC000542727433	517706274	/nfs/dbraw/zinc/70/62/74/517706274.db2.gz	IVOIARXBVRWUIW-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013059827	601354987	/nfs/dbraw/zinc/35/49/87/601354987.db2.gz	DJSTXYHXGVFGRB-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
CCCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000829340006	601403512	/nfs/dbraw/zinc/40/35/12/601403512.db2.gz	NLYOTADSHBIFQK-JTQLQIEISA-N	-2	1	364.807	2.560	20	5		FFBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000013341134	727816316	/nfs/dbraw/zinc/81/63/16/727816316.db2.gz	CLZIWUUHHKPMGJ-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000777920104	738331479	/nfs/dbraw/zinc/33/14/79/738331479.db2.gz	LWKWLYBRYOOJER-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000323879763	511831575	/nfs/dbraw/zinc/83/15/75/511831575.db2.gz	KPUXTOXSZWQEHE-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-]	ZINC000327485172	511876624	/nfs/dbraw/zinc/87/66/24/511876624.db2.gz	KINSNECMBLLFPX-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000328301046	511886425	/nfs/dbraw/zinc/88/64/25/511886425.db2.gz	MPROAICRRCKSGQ-LLVKDONJSA-N	-2	1	364.379	2.974	20	5		FFBDML
CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F	ZINC000507571547	516246665	/nfs/dbraw/zinc/24/66/65/516246665.db2.gz	WMSHSQRQWLVBJV-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
CCc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000548238764	516845362	/nfs/dbraw/zinc/84/53/62/516845362.db2.gz	OKFCZRNIPUOJPP-UHFFFAOYSA-N	-2	1	364.379	2.797	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000582877093	518963788	/nfs/dbraw/zinc/96/37/88/518963788.db2.gz	GRRBXKYSJRDXQG-UHFFFAOYSA-N	-2	1	364.379	2.585	20	5		FFBDML
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432181589	514120410	/nfs/dbraw/zinc/12/04/10/514120410.db2.gz	CYWKZJBKNFDAOZ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000491542437	515452203	/nfs/dbraw/zinc/45/22/03/515452203.db2.gz	DMMZGJWOQMXGHI-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000491832103	515473296	/nfs/dbraw/zinc/47/32/96/515473296.db2.gz	NUNIXWPUNHLVKS-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc(C)c1F	ZINC000548551247	517048991	/nfs/dbraw/zinc/04/89/91/517048991.db2.gz	XKHVRAIRLKWXSX-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000548594046	517072735	/nfs/dbraw/zinc/07/27/35/517072735.db2.gz	WVMCSSBEQMQFBG-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000832958546	601830306	/nfs/dbraw/zinc/83/03/06/601830306.db2.gz	KOJTWSMYXWXSTH-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C([O-])COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc12	ZINC000833258463	602258880	/nfs/dbraw/zinc/25/88/80/602258880.db2.gz	OTGMJLNFDHLEQO-UHFFFAOYSA-N	-2	1	355.306	2.792	20	5		FFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000759075843	605288476	/nfs/dbraw/zinc/28/84/76/605288476.db2.gz	NYBZZYYISJFHTH-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
O=C([O-])c1cc(Nc2nc(Br)ccc2[O-])cc([N+](=O)[O-])c1	ZINC001176671828	1013748928	/nfs/dbraw/zinc/74/89/28/1013748928.db2.gz	FGENATGMPHMPAF-UHFFFAOYSA-N	-2	1	354.116	2.900	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000323942606	511832689	/nfs/dbraw/zinc/83/26/89/511832689.db2.gz	KMWKBRGBNJIQOJ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000447340985	513452311	/nfs/dbraw/zinc/45/23/11/513452311.db2.gz	NJELXXPYGJJYLO-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	ZINC000432206237	514127057	/nfs/dbraw/zinc/12/70/57/514127057.db2.gz	PXBHVTGSIPFZOT-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH][n-]2)c1	ZINC000444797900	514336718	/nfs/dbraw/zinc/33/67/18/514336718.db2.gz	DTIOPXVTPRQMOS-UHFFFAOYSA-N	-2	1	356.313	2.812	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000491611174	515461577	/nfs/dbraw/zinc/46/15/77/515461577.db2.gz	XWJXGSCTFGRAFL-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C(N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000473383568	515598908	/nfs/dbraw/zinc/59/89/08/515598908.db2.gz	HSYNIEZHGUZABL-UHFFFAOYSA-N	-2	1	367.749	2.908	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc(C(=O)[O-])c1	ZINC000507579063	516251815	/nfs/dbraw/zinc/25/18/15/516251815.db2.gz	IYSXOBICWBCNKA-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1	ZINC000545125386	517061371	/nfs/dbraw/zinc/06/13/71/517061371.db2.gz	NHMLXFPWBNTGAR-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603659837	520337303	/nfs/dbraw/zinc/33/73/03/520337303.db2.gz	MRRIDLSLGCWESL-UHFFFAOYSA-N	-2	1	371.802	2.821	20	5		FFBDML
O=[N+]([O-])c1cc(Cl)ncc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167934798	978183944	/nfs/dbraw/zinc/18/39/44/978183944.db2.gz	VOTKMUGPWIPVCB-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000326996727	511867541	/nfs/dbraw/zinc/86/75/41/511867541.db2.gz	JGWWCUMZXOVRGD-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1	ZINC000327264911	511871480	/nfs/dbraw/zinc/87/14/80/511871480.db2.gz	CBNSJHBCYBGESN-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000390497913	512907254	/nfs/dbraw/zinc/90/72/54/512907254.db2.gz	NITPNXDGKHFOPP-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C	ZINC000432196298	514123623	/nfs/dbraw/zinc/12/36/23/514123623.db2.gz	NXRNSNBDXFEYRV-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000462096416	514882329	/nfs/dbraw/zinc/88/23/29/514882329.db2.gz	DAOVKLWKPDDOEE-UHFFFAOYSA-N	-2	1	364.379	2.585	20	5		FFBDML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1F	ZINC000547894501	516622669	/nfs/dbraw/zinc/62/26/69/516622669.db2.gz	YVCLTLWTKYBFGE-UHFFFAOYSA-N	-2	1	372.305	2.513	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000546539101	517716027	/nfs/dbraw/zinc/71/60/27/517716027.db2.gz	UNQLVMUXVUZJPL-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000569893772	518342056	/nfs/dbraw/zinc/34/20/56/518342056.db2.gz	TUSUMTSXUWQBLG-JTQLQIEISA-N	-2	1	364.445	2.606	20	5		FFBDML
O=[N+]([O-])c1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc2[nH]ccc21	ZINC001157159557	1029486073	/nfs/dbraw/zinc/48/60/73/1029486073.db2.gz	KNUOPQDQZZVCTN-UHFFFAOYSA-N	-2	1	374.293	2.556	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1[O-]	ZINC000019985966	220307901	/nfs/dbraw/zinc/30/79/01/220307901.db2.gz	YJAOCVJJLJIQIV-UHFFFAOYSA-N	-2	1	373.184	2.864	20	5		FFBDML
CCCOc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000032599825	506270638	/nfs/dbraw/zinc/27/06/38/506270638.db2.gz	CQTUDZRTYUENBI-UHFFFAOYSA-N	-2	1	352.368	2.890	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)ccc1[O-]	ZINC000119777595	508860843	/nfs/dbraw/zinc/86/08/43/508860843.db2.gz	SWMFMRRRZMQLRC-UHFFFAOYSA-N	-2	1	361.335	2.756	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000392241411	512923833	/nfs/dbraw/zinc/92/38/33/512923833.db2.gz	XYFICHLFNGOLRV-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432173889	514116116	/nfs/dbraw/zinc/11/61/16/514116116.db2.gz	BSFVWLQXHPJDJO-UHFFFAOYSA-N	-2	1	368.392	2.816	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1	ZINC000485216071	514960434	/nfs/dbraw/zinc/96/04/34/514960434.db2.gz	YPTVDBSJEIVYIY-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000545121968	517058692	/nfs/dbraw/zinc/05/86/92/517058692.db2.gz	XOAXNWIZTDEYJP-UHFFFAOYSA-N	-2	1	364.379	2.585	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000530648894	517898338	/nfs/dbraw/zinc/89/83/38/517898338.db2.gz	JGGADEQHYZJWHZ-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc(Cl)c1F	ZINC000767734069	737361918	/nfs/dbraw/zinc/36/19/18/737361918.db2.gz	CPRKNKHZKUMRIN-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1c(F)cnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1[N+](=O)[O-]	ZINC001167933764	978170844	/nfs/dbraw/zinc/17/08/44/978170844.db2.gz	NCQGTYXZBBFTGJ-UHFFFAOYSA-N	-2	1	367.273	2.522	20	5		FFBDML
CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1F	ZINC001597482609	987980272	/nfs/dbraw/zinc/98/02/72/987980272.db2.gz	OEKBNVJYPUIDDV-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000326329651	511857469	/nfs/dbraw/zinc/85/74/69/511857469.db2.gz	OQNWBRVDZSBWBI-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485211726	514958267	/nfs/dbraw/zinc/95/82/67/514958267.db2.gz	OMUFFARDSKGICO-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000485230380	514964812	/nfs/dbraw/zinc/96/48/12/514964812.db2.gz	MDCMTKUSXRTKCX-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000738664753	600101002	/nfs/dbraw/zinc/10/10/02/600101002.db2.gz	OUJSFJUSONVWBX-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000740147328	602646312	/nfs/dbraw/zinc/64/63/12/602646312.db2.gz	MSSGKHSHEPQBNE-UHFFFAOYSA-N	-2	1	351.340	2.794	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000362197502	511146720	/nfs/dbraw/zinc/14/67/20/511146720.db2.gz	GVIABYSNKIQXIK-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000324516966	511837862	/nfs/dbraw/zinc/83/78/62/511837862.db2.gz	VVHFHBSXLVYIKE-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1[N+](=O)[O-]	ZINC000326596242	511860110	/nfs/dbraw/zinc/86/01/10/511860110.db2.gz	DZHWRKCMNZTOAV-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000327032119	511868654	/nfs/dbraw/zinc/86/86/54/511868654.db2.gz	RQGRECOTBIYPQM-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)ccc1F	ZINC000447333380	513450866	/nfs/dbraw/zinc/45/08/66/513450866.db2.gz	IQCRLINMKNDKAP-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(C)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[nH][nH]2)cc1C	ZINC000490082896	515095575	/nfs/dbraw/zinc/09/55/75/515095575.db2.gz	CSEMXMCMWKXBNZ-UHFFFAOYSA-N	-2	1	367.365	2.685	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc2n[nH]cc21	ZINC000499263367	515261320	/nfs/dbraw/zinc/26/13/20/515261320.db2.gz	JTRMNFXJFVZINA-UHFFFAOYSA-N	-2	1	362.367	2.594	20	5		FFBDML
O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000478765531	515955786	/nfs/dbraw/zinc/95/57/86/515955786.db2.gz	ZXSLSJNSDHLMPH-UHFFFAOYSA-N	-2	1	367.749	2.908	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1ccn2C	ZINC000535744657	516482102	/nfs/dbraw/zinc/48/21/02/516482102.db2.gz	MVVTXUDPVJRJIP-UHFFFAOYSA-N	-2	1	361.379	2.901	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000325874967	511851545	/nfs/dbraw/zinc/85/15/45/511851545.db2.gz	MNORZNNXOZWMOV-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000326066961	511854399	/nfs/dbraw/zinc/85/43/99/511854399.db2.gz	GMSIYPVVAOZIIK-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000484966682	514858096	/nfs/dbraw/zinc/85/80/96/514858096.db2.gz	XCKXBMSCRKNHPK-LLVKDONJSA-N	-2	1	364.379	2.659	20	5		FFBDML
CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000485213734	514958697	/nfs/dbraw/zinc/95/86/97/514958697.db2.gz	YCSXVHOIBWVDLU-UHFFFAOYSA-N	-2	1	368.392	2.816	20	5		FFBDML
Cc1cccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000547869584	516611375	/nfs/dbraw/zinc/61/13/75/516611375.db2.gz	NAUZQSHOBHVTOE-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
O=C([O-])c1c([N-]S(=O)(=O)CC23CCC(CC2)C3)cccc1[N+](=O)[O-]	ZINC000578945534	518445359	/nfs/dbraw/zinc/44/53/59/518445359.db2.gz	ILKSCPXFGXDHHO-UHFFFAOYSA-N	-2	1	354.384	2.615	20	5		FFBDML
C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000594672792	520077653	/nfs/dbraw/zinc/07/76/53/520077653.db2.gz	CDUFNNIARLLQFM-SSDOTTSWSA-N	-2	1	370.305	2.623	20	5		FFBDML
C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000594673619	520078598	/nfs/dbraw/zinc/07/85/98/520078598.db2.gz	QQSFSRIKVYVMHQ-ZETCQYMHSA-N	-2	1	370.305	2.623	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(=O)[O-]	ZINC000609657682	520396074	/nfs/dbraw/zinc/39/60/74/520396074.db2.gz	JWEMBPVTSNTIBT-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000776535744	738204105	/nfs/dbraw/zinc/20/41/05/738204105.db2.gz	XEVVHRLCHGARDO-LBPRGKRZSA-N	-2	1	370.408	2.541	20	5		FFBDML
C[C@@](NC(=O)c1c([O-])cccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593146126	993943291	/nfs/dbraw/zinc/94/32/91/993943291.db2.gz	KUQCYGPNLWNKCB-INIZCTEOSA-N	-2	1	364.741	2.684	20	5		FFBDML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000324992295	511843814	/nfs/dbraw/zinc/84/38/14/511843814.db2.gz	VXYSQCXXIRFNPE-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1C	ZINC000327470516	511877163	/nfs/dbraw/zinc/87/71/63/511877163.db2.gz	GDJFBTGFKXEFTO-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000376062335	512641267	/nfs/dbraw/zinc/64/12/67/512641267.db2.gz	QPPLTXMCNZZPSU-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000484966686	514858518	/nfs/dbraw/zinc/85/85/18/514858518.db2.gz	XCKXBMSCRKNHPK-NSHDSACASA-N	-2	1	364.379	2.659	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1	ZINC001611162553	970918764	/nfs/dbraw/zinc/91/87/64/970918764.db2.gz	IHALYLMNMVDREJ-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000325576136	511848514	/nfs/dbraw/zinc/84/85/14/511848514.db2.gz	KDLCIKROELKNMH-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000392435573	512924981	/nfs/dbraw/zinc/92/49/81/512924981.db2.gz	LGUPXJMWDMOVNH-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])cc1C	ZINC000442247275	513690584	/nfs/dbraw/zinc/69/05/84/513690584.db2.gz	FKUBVMNOHZUWPT-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F	ZINC000507621493	516264275	/nfs/dbraw/zinc/26/42/75/516264275.db2.gz	OBFGMZWGSFXUDH-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccccc2Cl)cc([N+](=O)[O-])c1	ZINC000548524961	517036193	/nfs/dbraw/zinc/03/61/93/517036193.db2.gz	JBOKQKMZLBWGRD-UHFFFAOYSA-N	-2	1	370.770	2.888	20	5		FFBDML
CC(C)COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000609733509	520415512	/nfs/dbraw/zinc/41/55/12/520415512.db2.gz	DEGWZHQQPDNMLI-UHFFFAOYSA-N	-2	1	367.383	2.531	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-]	ZINC000324776437	511840093	/nfs/dbraw/zinc/84/00/93/511840093.db2.gz	FIMTZVJOGGRIES-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cccc1[N+](=O)[O-]	ZINC000325044773	511843460	/nfs/dbraw/zinc/84/34/60/511843460.db2.gz	NOCHOZVPIFRQMZ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc([N+](=O)[O-])c1	ZINC000548245242	516848849	/nfs/dbraw/zinc/84/88/49/516848849.db2.gz	GLYFXJHPDVNNCA-UHFFFAOYSA-N	-2	1	372.305	2.513	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-]	ZINC000519201939	516920294	/nfs/dbraw/zinc/92/02/94/516920294.db2.gz	LWYOPUKILVIQJL-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1	ZINC000833745119	605289214	/nfs/dbraw/zinc/28/92/14/605289214.db2.gz	SFSOQXUAPJVLPM-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
O=C([O-])c1ccc(Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-]	ZINC001174502008	1013239641	/nfs/dbraw/zinc/23/96/41/1013239641.db2.gz	BWZBFTKHUBELNX-UHFFFAOYSA-N	-2	1	354.116	2.900	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC001597556284	988287170	/nfs/dbraw/zinc/28/71/70/988287170.db2.gz	LBFAFGVPMSVFDZ-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000324720123	511839852	/nfs/dbraw/zinc/83/98/52/511839852.db2.gz	YCMALJXJOXYKOE-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000393206373	512931718	/nfs/dbraw/zinc/93/17/18/512931718.db2.gz	OOVNAPURPQWCMQ-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000113890997	508284841	/nfs/dbraw/zinc/28/48/41/508284841.db2.gz	NNWHVPWOZBKKRD-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C(=O)[O-]	ZINC000324659454	511838357	/nfs/dbraw/zinc/83/83/57/511838357.db2.gz	HSTHHGAHRMTDHZ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000326724236	511862652	/nfs/dbraw/zinc/86/26/52/511862652.db2.gz	CKZAAVVDYODANZ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432181689	514120567	/nfs/dbraw/zinc/12/05/67/514120567.db2.gz	DYFMXRXPRMLBSU-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C	ZINC000471108534	514755358	/nfs/dbraw/zinc/75/53/58/514755358.db2.gz	OHPUUHOAFDDYMY-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000739713168	600536376	/nfs/dbraw/zinc/53/63/76/600536376.db2.gz	ZKYCFLZCSACELD-UHFFFAOYSA-N	-2	1	370.774	2.759	20	5		FFBDML
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000740076376	600887411	/nfs/dbraw/zinc/88/74/11/600887411.db2.gz	YGOUPYHZEBGYTR-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000759075863	605288503	/nfs/dbraw/zinc/28/85/03/605288503.db2.gz	PAIFTDXXYODMCD-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000760333873	736630247	/nfs/dbraw/zinc/63/02/47/736630247.db2.gz	AZDBRLIUTVYGTC-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776556370	738207328	/nfs/dbraw/zinc/20/73/28/738207328.db2.gz	ZHRBLHOKDVULLI-SECBINFHSA-N	-2	1	364.807	2.560	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-]	ZINC000324965001	511842528	/nfs/dbraw/zinc/84/25/28/511842528.db2.gz	YHHXUNMHDYDQFG-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])c1	ZINC000327690066	511880855	/nfs/dbraw/zinc/88/08/55/511880855.db2.gz	IZHKCDSDHLBNBR-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
CCc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000522052608	517968026	/nfs/dbraw/zinc/96/80/26/517968026.db2.gz	QOIYVPUJYURNKW-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
COc1cccc([C@](C)(CC(=O)[O-])NCc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC001599655292	994569877	/nfs/dbraw/zinc/56/98/77/994569877.db2.gz	IMNCVWZTURSDQT-SFHVURJKSA-N	-2	1	360.366	2.789	20	5		FFBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1	ZINC000392153713	512922265	/nfs/dbraw/zinc/92/22/65/512922265.db2.gz	MDOHSXSJIRNTBB-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000508212902	514708057	/nfs/dbraw/zinc/70/80/57/514708057.db2.gz	XRUYCTSLGOISGX-UHFFFAOYSA-N	-2	1	350.352	2.612	20	5		FFBDML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1C	ZINC000481592978	515394245	/nfs/dbraw/zinc/39/42/45/515394245.db2.gz	OUKQICNVNJAELN-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000542731610	517708342	/nfs/dbraw/zinc/70/83/42/517708342.db2.gz	SSWYXFUROFUJGC-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000534613662	517965754	/nfs/dbraw/zinc/96/57/54/517965754.db2.gz	JGEOVTUTXDDHIC-UHFFFAOYSA-N	-2	1	350.352	2.612	20	5		FFBDML
CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000825957126	601064491	/nfs/dbraw/zinc/06/44/91/601064491.db2.gz	LXNBDLYMMBFEBU-UHFFFAOYSA-N	-2	1	373.317	2.601	20	5		FFBDML
Cc1c(C)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)ncc1[N+](=O)[O-]	ZINC001157157575	1029484385	/nfs/dbraw/zinc/48/43/85/1029484385.db2.gz	VBGDBNLHHLTVAS-UHFFFAOYSA-N	-2	1	363.310	2.691	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000326523941	511858863	/nfs/dbraw/zinc/85/88/63/511858863.db2.gz	FLBUMIIODIVUBL-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]n1	ZINC000485883733	515238125	/nfs/dbraw/zinc/23/81/25/515238125.db2.gz	SNIXXOVANDCAEA-UHFFFAOYSA-N	-2	1	374.378	2.800	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000530717009	517938267	/nfs/dbraw/zinc/93/82/67/517938267.db2.gz	OOCMWEJHBVYOMF-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F	ZINC000013367542	601317559	/nfs/dbraw/zinc/31/75/59/601317559.db2.gz	XWUOUWYHCCVYOH-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1F	ZINC000760338880	736631052	/nfs/dbraw/zinc/63/10/52/736631052.db2.gz	RWKKHKWBYSODLF-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000326294884	511856045	/nfs/dbraw/zinc/85/60/45/511856045.db2.gz	HHKZVHNMGUHWFV-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000327899716	511883193	/nfs/dbraw/zinc/88/31/93/511883193.db2.gz	HECGGPSMWHAXTI-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000392091234	512921191	/nfs/dbraw/zinc/92/11/91/512921191.db2.gz	JSZPLILTTCMJMG-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1[N+](=O)[O-]	ZINC000392163506	512922446	/nfs/dbraw/zinc/92/24/46/512922446.db2.gz	BVELDKANKGHRDR-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1	ZINC000447343629	513453782	/nfs/dbraw/zinc/45/37/82/513453782.db2.gz	YLHNYZVLYWVCQR-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000544644846	516852069	/nfs/dbraw/zinc/85/20/69/516852069.db2.gz	FTKHXISSSAXCSX-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1	ZINC000013027546	727816068	/nfs/dbraw/zinc/81/60/68/727816068.db2.gz	DPDKGUVFNREGGM-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000324267670	511835481	/nfs/dbraw/zinc/83/54/81/511835481.db2.gz	XGQFHCPBNQBSCC-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000324849031	511841715	/nfs/dbraw/zinc/84/17/15/511841715.db2.gz	YEKYEPVWZSAYAA-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000327982716	511884854	/nfs/dbraw/zinc/88/48/54/511884854.db2.gz	ZCJNMWQJZWYMCY-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000738252309	603420070	/nfs/dbraw/zinc/42/00/70/603420070.db2.gz	ZWKBJAORXFNNLD-UHFFFAOYSA-N	-2	1	351.340	2.794	20	5		FFBDML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1	ZINC000321656331	511820524	/nfs/dbraw/zinc/82/05/24/511820524.db2.gz	SFWZQJROCSNVRF-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nc[n-]c1C(=O)c1ccccc1	ZINC000485410755	515030377	/nfs/dbraw/zinc/03/03/77/515030377.db2.gz	KFADANUNUALHGP-UHFFFAOYSA-N	-2	1	352.306	2.507	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000481978967	515535989	/nfs/dbraw/zinc/53/59/89/515535989.db2.gz	FZYWHTYMQVLBOC-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000520920699	517554194	/nfs/dbraw/zinc/55/41/94/517554194.db2.gz	KFBFEOGNUPFYQE-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1	ZINC000833301305	600689804	/nfs/dbraw/zinc/68/98/04/600689804.db2.gz	WCYPBPCMAALQKE-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000828803906	601268003	/nfs/dbraw/zinc/26/80/03/601268003.db2.gz	DHRWQXGGTPVOQK-UHFFFAOYSA-N	-2	1	364.807	2.560	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000768271546	737410335	/nfs/dbraw/zinc/41/03/35/737410335.db2.gz	ANIARPBKPQSLIA-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1F	ZINC000768279395	737410417	/nfs/dbraw/zinc/41/04/17/737410417.db2.gz	MWGWECRENISQQD-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000181791373	510595103	/nfs/dbraw/zinc/59/51/03/510595103.db2.gz	JPVYVCHYPRPFDE-UHFFFAOYSA-N	-2	1	374.378	2.595	20	5		FFBDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1	ZINC000324854079	511840942	/nfs/dbraw/zinc/84/09/42/511840942.db2.gz	GBLSQRLPGQYLLP-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447340443	513452606	/nfs/dbraw/zinc/45/26/06/513452606.db2.gz	KGBFEQSRZPYDEL-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1	ZINC000499286384	515269103	/nfs/dbraw/zinc/26/91/03/515269103.db2.gz	KQNPKXNWQWPVKZ-UHFFFAOYSA-N	-2	1	374.378	2.800	20	5		FFBDML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1[N+](=O)[O-]	ZINC000479188545	516096803	/nfs/dbraw/zinc/09/68/03/516096803.db2.gz	POWQGCFQQKBXFH-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-]	ZINC000520769506	517508981	/nfs/dbraw/zinc/50/89/81/517508981.db2.gz	BOUYDOPCXPPUEP-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC001599655291	994569787	/nfs/dbraw/zinc/56/97/87/994569787.db2.gz	IMNCVWZTURSDQT-GOSISDBHSA-N	-2	1	360.366	2.789	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000013027323	506925828	/nfs/dbraw/zinc/92/58/28/506925828.db2.gz	OXJDOHUTHQHIMN-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)ccc1[O-]	ZINC000132824950	509079852	/nfs/dbraw/zinc/07/98/52/509079852.db2.gz	GWXLYAWTRKSWEM-UHFFFAOYSA-N	-2	1	361.335	2.756	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])c1	ZINC000323815137	511831440	/nfs/dbraw/zinc/83/14/40/511831440.db2.gz	BZJOGXWQMGGASJ-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000392239096	512923867	/nfs/dbraw/zinc/92/38/67/512923867.db2.gz	WLRBAIRPKFVVQG-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000432190037	514122193	/nfs/dbraw/zinc/12/21/93/514122193.db2.gz	DMAQLRGZWBNKRS-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548227289	516838558	/nfs/dbraw/zinc/83/85/58/516838558.db2.gz	KPTSHYLGGBQRMY-VIFPVBQESA-N	-2	1	364.807	2.560	20	5		FFBDML
Cc1ccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000565917593	519195264	/nfs/dbraw/zinc/19/52/64/519195264.db2.gz	UTXMMUABWNWJDS-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000013348988	600807702	/nfs/dbraw/zinc/80/77/02/600807702.db2.gz	FBJGJBDUVJZDKD-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1	ZINC000432190681	514121253	/nfs/dbraw/zinc/12/12/53/514121253.db2.gz	FZXGWEMLFZFIQS-UHFFFAOYSA-N	-2	1	362.363	2.583	20	5		FFBDML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832994714	601287764	/nfs/dbraw/zinc/28/77/64/601287764.db2.gz	YDOXMVASHGYVSA-UHFFFAOYSA-N	-2	1	374.353	2.647	20	5		FFBDML
CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC001597590637	988414004	/nfs/dbraw/zinc/41/40/04/988414004.db2.gz	BSTGYJZIGMWUPO-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=[N+]([O-])c1c[nH]c2ccc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)nc21	ZINC001157156555	1029484471	/nfs/dbraw/zinc/48/44/71/1029484471.db2.gz	DLXBHNFYPQUTMS-UHFFFAOYSA-N	-2	1	374.293	2.556	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1[O-]	ZINC000195447817	510828664	/nfs/dbraw/zinc/82/86/64/510828664.db2.gz	JXOSYOYFLGXOLK-UHFFFAOYSA-N	-2	1	351.365	2.711	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000324495738	511837431	/nfs/dbraw/zinc/83/74/31/511837431.db2.gz	PPVULNYSABAYAO-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000916108648	737678621	/nfs/dbraw/zinc/67/86/21/737678621.db2.gz	HFJXEVABPIEXIA-UHFFFAOYSA-N	-2	1	367.339	2.626	20	5		FFBDML
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000324177023	511834313	/nfs/dbraw/zinc/83/43/13/511834313.db2.gz	GWFSALMKAUIDKX-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
COc1cccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3[O-])no2)c1	ZINC000436702254	513949053	/nfs/dbraw/zinc/94/90/53/513949053.db2.gz	HPDGBWSMCYBXDZ-UHFFFAOYSA-N	-2	1	356.294	2.611	20	5		FFBDML
O=C(N=c1[n-]nc([C@H]2CCCc3ccccc32)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000432618513	514243051	/nfs/dbraw/zinc/24/30/51/514243051.db2.gz	CLBLCVNIWKGCJM-LBPRGKRZSA-N	-2	1	369.406	2.917	20	5		FFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000738478203	600101112	/nfs/dbraw/zinc/10/11/12/600101112.db2.gz	DZGCLROPVKLPLR-UHFFFAOYSA-N	-2	1	369.330	2.933	20	5		FFBDML
CCCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000829340007	601403516	/nfs/dbraw/zinc/40/35/16/601403516.db2.gz	NLYOTADSHBIFQK-SNVBAGLBSA-N	-2	1	364.807	2.560	20	5		FFBDML
O=[N+]([O-])c1c(F)cc(F)cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167936176	978194919	/nfs/dbraw/zinc/19/49/19/978194919.db2.gz	INKFGYRSFTTXLV-UHFFFAOYSA-N	-2	1	370.248	2.958	20	5		FFBDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000523730255	516560903	/nfs/dbraw/zinc/56/09/03/516560903.db2.gz	JRDYDUVPDRHESL-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1F	ZINC000547938376	516643908	/nfs/dbraw/zinc/64/39/08/516643908.db2.gz	UMAUIACNLRBUMW-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548227288	516837390	/nfs/dbraw/zinc/83/73/90/516837390.db2.gz	KPTSHYLGGBQRMY-SECBINFHSA-N	-2	1	364.807	2.560	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000537653345	517280907	/nfs/dbraw/zinc/28/09/07/517280907.db2.gz	YKMXGGSIDKDALF-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1[N+](=O)[O-]	ZINC000611305062	521091015	/nfs/dbraw/zinc/09/10/15/521091015.db2.gz	GKFCAALLFSPOEW-UHFFFAOYSA-N	-2	1	362.363	2.971	20	5		FFBDML
O=C([O-])c1ccc(Nc2ncc(Br)cc2[O-])cc1[N+](=O)[O-]	ZINC001174502447	1013242326	/nfs/dbraw/zinc/24/23/26/1013242326.db2.gz	OVDCFLQMWKPNAV-UHFFFAOYSA-N	-2	1	354.116	2.900	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000491548279	515451510	/nfs/dbraw/zinc/45/15/10/515451510.db2.gz	RWCWIIDHBYRILN-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000491610734	515460982	/nfs/dbraw/zinc/46/09/82/515460982.db2.gz	UCKKHKNMLBWHFN-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000614313505	520902811	/nfs/dbraw/zinc/90/28/11/520902811.db2.gz	MAQBBYUFWOEUAZ-UHFFFAOYSA-N	-2	1	368.392	2.816	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000766308283	737217566	/nfs/dbraw/zinc/21/75/66/737217566.db2.gz	PPFYHRIIRJSXLV-UHFFFAOYSA-N	-2	1	367.339	2.626	20	5		FFBDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000793349275	739770902	/nfs/dbraw/zinc/77/09/02/739770902.db2.gz	NEASXTPCZKBCGW-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C([O-])c1cc(Nc2ncc(Br)cc2[O-])cc([N+](=O)[O-])c1	ZINC001176673605	1013749026	/nfs/dbraw/zinc/74/90/26/1013749026.db2.gz	XRXSMHJFSKDLKE-UHFFFAOYSA-N	-2	1	354.116	2.900	20	5		FFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)ccc1[O-]	ZINC000157686151	508597155	/nfs/dbraw/zinc/59/71/55/508597155.db2.gz	SDWCRWFRTISWHV-UHFFFAOYSA-N	-2	1	361.335	2.756	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)[O-])c1	ZINC000327680995	511879492	/nfs/dbraw/zinc/87/94/92/511879492.db2.gz	DCFHSOJVVFXTFU-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1	ZINC000392211501	512922808	/nfs/dbraw/zinc/92/28/08/512922808.db2.gz	YVEBEFWSVJMHKG-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1[N+](=O)[O-]	ZINC000769619773	737547325	/nfs/dbraw/zinc/54/73/25/737547325.db2.gz	DRYXSCHYLAYGJO-UHFFFAOYSA-N	-2	1	367.339	2.626	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000391689196	512918166	/nfs/dbraw/zinc/91/81/66/512918166.db2.gz	ZZZAXWMPYBGCDP-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000392164395	512922502	/nfs/dbraw/zinc/92/25/02/512922502.db2.gz	CZMQOTFJEMCJOD-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447343389	513453310	/nfs/dbraw/zinc/45/33/10/513453310.db2.gz	ZOQMJUITFVSXCU-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1C(=O)[O-]	ZINC000475829624	514826743	/nfs/dbraw/zinc/82/67/43/514826743.db2.gz	LSGWFANNWITCCM-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000485220721	514961426	/nfs/dbraw/zinc/96/14/26/514961426.db2.gz	XRWYEJJWKXXYMD-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000547888552	516619956	/nfs/dbraw/zinc/61/99/56/516619956.db2.gz	JTSJYHFBEOCOHL-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000740051250	602646499	/nfs/dbraw/zinc/64/64/99/602646499.db2.gz	XRORIQZQCCMVGC-UHFFFAOYSA-N	-2	1	351.340	2.794	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000768267585	737409821	/nfs/dbraw/zinc/40/98/21/737409821.db2.gz	VDAKWNYZARGTHD-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
C[C@](NC(=O)c1c([O-])cccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001593146127	993943316	/nfs/dbraw/zinc/94/33/16/993943316.db2.gz	KUQCYGPNLWNKCB-MRXNPFEDSA-N	-2	1	364.741	2.684	20	5		FFBDML
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F	ZINC000325107011	511845608	/nfs/dbraw/zinc/84/56/08/511845608.db2.gz	XJOKSIAOGTXCAU-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000326623680	511861458	/nfs/dbraw/zinc/86/14/58/511861458.db2.gz	ABKSUFYDLZWTCT-UHFFFAOYSA-N	-2	1	364.379	2.721	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000327589703	511877973	/nfs/dbraw/zinc/87/79/73/511877973.db2.gz	FSUUGMZGFXYIJE-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000548200226	516821931	/nfs/dbraw/zinc/82/19/31/516821931.db2.gz	IRXOLHZLRMREBN-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000548526185	517034859	/nfs/dbraw/zinc/03/48/59/517034859.db2.gz	XMPQHQFUVLCYQB-UHFFFAOYSA-N	-2	1	364.379	2.797	20	5		FFBDML
CCCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000829340846	601403458	/nfs/dbraw/zinc/40/34/58/601403458.db2.gz	UKKLGEHGRFKLNI-SNVBAGLBSA-N	-2	1	364.807	2.560	20	5		FFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000013340173	601824999	/nfs/dbraw/zinc/82/49/99/601824999.db2.gz	QBCIPYKBTCENCB-UHFFFAOYSA-N	-2	1	356.743	2.747	20	5		FFBDML
O=[N+]([O-])c1cc(Cl)cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1	ZINC001157156407	1029482817	/nfs/dbraw/zinc/48/28/17/1029482817.db2.gz	BJANXTGDLBZGFI-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000323871119	511831305	/nfs/dbraw/zinc/83/13/05/511831305.db2.gz	RNJMDQTULIFSDI-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000392807769	512928285	/nfs/dbraw/zinc/92/82/85/512928285.db2.gz	VTFSZXSLQUCIKA-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000475829355	514826146	/nfs/dbraw/zinc/82/61/46/514826146.db2.gz	IGUHPMPNNZXRLN-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000507586101	516254747	/nfs/dbraw/zinc/25/47/47/516254747.db2.gz	TXIOVIZWGKSPHC-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1	ZINC000541802944	517222738	/nfs/dbraw/zinc/22/27/38/517222738.db2.gz	UQFQGOSMPUBJQD-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000556414959	517417389	/nfs/dbraw/zinc/41/73/89/517417389.db2.gz	UHPCAZLCXZCXOA-ZDUSSCGKSA-N	-2	1	364.445	2.604	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000542727577	517706174	/nfs/dbraw/zinc/70/61/74/517706174.db2.gz	DIRLFDWMGGFDMO-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=[N+]([O-])c1cnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c(Cl)c1	ZINC001157156856	1029484645	/nfs/dbraw/zinc/48/46/45/1029484645.db2.gz	PTLJUQICZABPIY-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
COc1cc(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC001319634671	1045222786	/nfs/dbraw/zinc/22/27/86/1045222786.db2.gz	GOORSOLEZWYJEM-UHFFFAOYSA-N	-2	1	356.331	2.557	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000323997975	511832642	/nfs/dbraw/zinc/83/26/42/511832642.db2.gz	DVQAVEHGLRWAFK-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1C	ZINC000326700072	511862481	/nfs/dbraw/zinc/86/24/81/511862481.db2.gz	VJCLHDFMBIMBRZ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000391633906	512917803	/nfs/dbraw/zinc/91/78/03/512917803.db2.gz	ZAVDKXZXBMKNKS-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1C	ZINC000477219088	515372945	/nfs/dbraw/zinc/37/29/45/515372945.db2.gz	GMNBAHMBVPGJEY-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000548533716	517039502	/nfs/dbraw/zinc/03/95/02/517039502.db2.gz	GUYWMWLSBOTEIK-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000520768388	517507004	/nfs/dbraw/zinc/50/70/04/517507004.db2.gz	BSRBFHOZRXLTNX-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
CC(C)(c1n[n-]c(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1)c1ccccc1	ZINC000609311809	520271001	/nfs/dbraw/zinc/27/10/01/520271001.db2.gz	WIGOAMNIURNJRH-UHFFFAOYSA-N	-2	1	357.395	2.775	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000360572888	510922967	/nfs/dbraw/zinc/92/29/67/510922967.db2.gz	OAPZRVOGCPESIY-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc([N+](=O)[O-])c1C	ZINC000327603830	511878310	/nfs/dbraw/zinc/87/83/10/511878310.db2.gz	IWZZGSXANOJCBQ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1C	ZINC000392285995	512924627	/nfs/dbraw/zinc/92/46/27/512924627.db2.gz	WIVKDHCHVWIHLK-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000485392951	515021517	/nfs/dbraw/zinc/02/15/17/515021517.db2.gz	XQIKPIVCHMYWSM-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=[N+]([O-])c1ccnc(Cl)c1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167933640	978168551	/nfs/dbraw/zinc/16/85/51/978168551.db2.gz	LHUOHMKLMJMBKN-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
COCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000508236023	514717628	/nfs/dbraw/zinc/71/76/28/514717628.db2.gz	KTPRFVAKGRVIET-UHFFFAOYSA-N	-2	1	352.368	2.556	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F	ZINC000485237735	514967797	/nfs/dbraw/zinc/96/77/97/514967797.db2.gz	YNYRTUYVCWOPEJ-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000556414958	517417287	/nfs/dbraw/zinc/41/72/87/517417287.db2.gz	UHPCAZLCXZCXOA-CYBMUJFWSA-N	-2	1	364.445	2.604	20	5		FFBDML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000485225208	514963771	/nfs/dbraw/zinc/96/37/71/514963771.db2.gz	ALZPNSAJIPMDBN-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
O=C(N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000491538203	515449112	/nfs/dbraw/zinc/44/91/12/515449112.db2.gz	MBFMLDFCHZHPGO-UHFFFAOYSA-N	-2	1	373.438	2.916	20	5		FFBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cccc1[N+](=O)[O-]	ZINC000548214538	516830005	/nfs/dbraw/zinc/83/00/05/516830005.db2.gz	OSHBFGNBYHTDHX-UHFFFAOYSA-N	-2	1	373.346	2.642	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000521415753	517721450	/nfs/dbraw/zinc/72/14/50/517721450.db2.gz	IEQDYSXXOKKHQN-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000740158001	602645717	/nfs/dbraw/zinc/64/57/17/602645717.db2.gz	FAPYTOLOQWTJQL-UHFFFAOYSA-N	-2	1	351.340	2.794	20	5		FFBDML
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776556371	738207379	/nfs/dbraw/zinc/20/73/79/738207379.db2.gz	ZHRBLHOKDVULLI-VIFPVBQESA-N	-2	1	364.807	2.560	20	5		FFBDML
O=[N+]([O-])c1ccc(Cl)nc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167937530	978218812	/nfs/dbraw/zinc/21/88/12/978218812.db2.gz	ZIEOBZRJROCVHU-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000392943275	512929448	/nfs/dbraw/zinc/92/94/48/512929448.db2.gz	WOSKXOGVAFIHBB-UHFFFAOYSA-N	-2	1	362.363	2.583	20	5		FFBDML
O=C(N=c1[n-]nc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000409607637	513125254	/nfs/dbraw/zinc/12/52/54/513125254.db2.gz	QCBSYJQYXOXTDJ-UHFFFAOYSA-N	-2	1	361.408	2.741	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1	ZINC000476728427	515175020	/nfs/dbraw/zinc/17/50/20/515175020.db2.gz	APAYEBQQNONAHF-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-]	ZINC000523980517	516621010	/nfs/dbraw/zinc/62/10/10/516621010.db2.gz	JJAZEZHYZXJQLJ-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])c1	ZINC000833751298	604686461	/nfs/dbraw/zinc/68/64/61/604686461.db2.gz	SUQJKTYBQPBCEY-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnc1Cl	ZINC000157343241	728870570	/nfs/dbraw/zinc/87/05/70/728870570.db2.gz	BOYWEGATZHFEEQ-UHFFFAOYSA-N	-2	1	357.775	2.766	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000769621395	737547690	/nfs/dbraw/zinc/54/76/90/737547690.db2.gz	WNIDRJGPEJCPHZ-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000795366409	740010871	/nfs/dbraw/zinc/01/08/71/740010871.db2.gz	SRUASJMUIVUPRB-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])c1	ZINC000391712631	512918092	/nfs/dbraw/zinc/91/80/92/512918092.db2.gz	BJPNMGDZAKWJNO-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F	ZINC000392800001	512928214	/nfs/dbraw/zinc/92/82/14/512928214.db2.gz	QHAJGTNHXCMRAS-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1nc[n-]c1C(=O)c1ccccc1	ZINC000504239293	515251165	/nfs/dbraw/zinc/25/11/65/515251165.db2.gz	LBVISIUSKWSJOY-UHFFFAOYSA-N	-2	1	352.306	2.507	20	5		FFBDML
O=[N+]([O-])c1cc(Cl)cnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001157156746	1029484254	/nfs/dbraw/zinc/48/42/54/1029484254.db2.gz	ONNYQRPNLJBAMJ-UHFFFAOYSA-N	-2	1	369.701	2.728	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000326720108	511862763	/nfs/dbraw/zinc/86/27/63/511862763.db2.gz	CISUBUUDVIEYEP-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432205376	514126941	/nfs/dbraw/zinc/12/69/41/514126941.db2.gz	LVYQXGIVMAMTHR-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])ccc1F	ZINC000548544798	517044878	/nfs/dbraw/zinc/04/48/78/517044878.db2.gz	ZMBVWMUWLGCTLR-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1F	ZINC000548557645	517053232	/nfs/dbraw/zinc/05/32/32/517053232.db2.gz	UHVRDIZUTMMRQV-UHFFFAOYSA-N	-2	1	368.342	2.682	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc([N+](=O)[O-])c1F	ZINC000757926451	736435905	/nfs/dbraw/zinc/43/59/05/736435905.db2.gz	RWCGBQGAKYZPKM-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C	ZINC000393048663	512929965	/nfs/dbraw/zinc/92/99/65/512929965.db2.gz	KYHVJMLWVKGWSN-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000471111122	514755317	/nfs/dbraw/zinc/75/53/17/514755317.db2.gz	AOSUMGAJMSSQOV-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000479190371	516099583	/nfs/dbraw/zinc/09/95/83/516099583.db2.gz	QXQGZAJAWYMSHL-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C	ZINC000536698202	516897521	/nfs/dbraw/zinc/89/75/21/516897521.db2.gz	FMBFHYGVHJKVIN-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1csc(=NC2CC2)[n-]1	ZINC000539751175	518154564	/nfs/dbraw/zinc/15/45/64/518154564.db2.gz	SVVBXFLASRELRW-UHFFFAOYSA-N	-2	1	354.775	2.659	20	5		FFBDML
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000614351183	520920897	/nfs/dbraw/zinc/92/08/97/520920897.db2.gz	CHRLVFPBVJETDH-UHFFFAOYSA-N	-2	1	368.392	2.816	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1[N+](=O)[O-]	ZINC000793348692	739770609	/nfs/dbraw/zinc/77/06/09/739770609.db2.gz	CCAMFLMCVMVHBQ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc(Br)c([O-])c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1	ZINC000193866350	510107224	/nfs/dbraw/zinc/10/72/24/510107224.db2.gz	PAZOVZYGQXELPC-UHFFFAOYSA-N	-2	1	368.143	2.724	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000325913927	511852717	/nfs/dbraw/zinc/85/27/17/511852717.db2.gz	NLEBZVICWUZHHE-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1C	ZINC000327680144	511879148	/nfs/dbraw/zinc/87/91/48/511879148.db2.gz	CNGJLKSTSPUEJF-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000327984915	511885310	/nfs/dbraw/zinc/88/53/10/511885310.db2.gz	ZPAJOVKTGPSOSH-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000481969437	515532324	/nfs/dbraw/zinc/53/23/24/515532324.db2.gz	XFAHWQQQQCWLHF-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1	ZINC000507567607	516246801	/nfs/dbraw/zinc/24/68/01/516246801.db2.gz	NHIZLJBXHMVOFQ-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000548209973	516828146	/nfs/dbraw/zinc/82/81/46/516828146.db2.gz	WKRMHEVRFJFPCK-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CCc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1	ZINC000548228377	516837525	/nfs/dbraw/zinc/83/75/25/516837525.db2.gz	DVJHXJAUNHJNRP-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1Br	ZINC000480023308	561201536	/nfs/dbraw/zinc/20/15/36/561201536.db2.gz	SIHVHZNUZPYGJK-UHFFFAOYSA-N	-2	1	355.148	2.601	20	5		FFBDML
Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-]	ZINC000742026877	735198070	/nfs/dbraw/zinc/19/80/70/735198070.db2.gz	JNPRPWMYNNYRSL-UHFFFAOYSA-N	-2	1	372.305	2.680	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000757925363	736435998	/nfs/dbraw/zinc/43/59/98/736435998.db2.gz	HFZZIJCCZHJATQ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1C(=O)[O-]	ZINC000759075653	736545298	/nfs/dbraw/zinc/54/52/98/736545298.db2.gz	LOZDVVDVJNKNHO-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=[N+]([O-])c1c2[nH]cnc2ccc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167940374	978251888	/nfs/dbraw/zinc/25/18/88/978251888.db2.gz	VIVOCEQMVMJXOE-UHFFFAOYSA-N	-2	1	374.293	2.556	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1	ZINC000157224323	508539517	/nfs/dbraw/zinc/53/95/17/508539517.db2.gz	LMDNPTJTOWJMSL-UHFFFAOYSA-N	-2	1	362.285	2.827	20	5		FFBDML
CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C	ZINC000499296956	515274497	/nfs/dbraw/zinc/27/44/97/515274497.db2.gz	VJVPJIDDOORKDM-UHFFFAOYSA-N	-2	1	364.379	2.921	20	5		FFBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000614351189	520921232	/nfs/dbraw/zinc/92/12/32/520921232.db2.gz	JHASRDYWBYNXKU-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000324923049	511843171	/nfs/dbraw/zinc/84/31/71/511843171.db2.gz	LQVPUHKDEAYGBH-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000327085138	511868099	/nfs/dbraw/zinc/86/80/99/511868099.db2.gz	HGUDLTMHBFPMBH-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C(=O)[O-]	ZINC000392200648	512922520	/nfs/dbraw/zinc/92/25/20/512922520.db2.gz	PPEMARFRKDIHQU-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432191212	514122269	/nfs/dbraw/zinc/12/22/69/514122269.db2.gz	IHBPGUQBBDCMNU-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1	ZINC000438816515	514446702	/nfs/dbraw/zinc/44/67/02/514446702.db2.gz	ZSXGVMLQFSLWTA-UHFFFAOYSA-N	-2	1	374.378	2.800	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000491610564	515461468	/nfs/dbraw/zinc/46/14/68/515461468.db2.gz	RVHADHAAPQAKSM-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000481960014	515528664	/nfs/dbraw/zinc/52/86/64/515528664.db2.gz	BKYUHYVNSOORDR-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000531364773	516431818	/nfs/dbraw/zinc/43/18/18/516431818.db2.gz	XMTBJKVBCAHNPD-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
O=C([O-])c1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c1	ZINC000740228537	599702140	/nfs/dbraw/zinc/70/21/40/599702140.db2.gz	OWOOTOFQUVKYCX-UHFFFAOYSA-N	-2	1	372.362	2.921	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1[N+](=O)[O-]	ZINC000327333701	511872885	/nfs/dbraw/zinc/87/28/85/511872885.db2.gz	ZDEKGJBSZYEZAT-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=C(N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000428890181	513217221	/nfs/dbraw/zinc/21/72/21/513217221.db2.gz	SSRSASPGPVXWBV-UHFFFAOYSA-N	-2	1	363.786	2.693	20	5		FFBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000491574431	515455271	/nfs/dbraw/zinc/45/52/71/515455271.db2.gz	WIACRTJQKRMELC-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=C(N=c1[n-]nc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000464348432	515791534	/nfs/dbraw/zinc/79/15/34/515791534.db2.gz	BSHVVUKIWNNOSH-UHFFFAOYSA-N	-2	1	363.786	2.693	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000546621651	517760718	/nfs/dbraw/zinc/76/07/18/517760718.db2.gz	LGSSPEUBCHLOOB-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1	ZINC000739710837	600556251	/nfs/dbraw/zinc/55/62/51/600556251.db2.gz	JYIBRYUNJZHNMA-UHFFFAOYSA-N	-2	1	370.774	2.759	20	5		FFBDML
Cc1cc(C)c([N+](=O)[O-])c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1	ZINC001157157600	1029484905	/nfs/dbraw/zinc/48/49/05/1029484905.db2.gz	WBHXLAYOHYZIGP-UHFFFAOYSA-N	-2	1	363.310	2.691	20	5		FFBDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000328301049	511886993	/nfs/dbraw/zinc/88/69/93/511886993.db2.gz	MPROAICRRCKSGQ-NSHDSACASA-N	-2	1	364.379	2.974	20	5		FFBDML
O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000392467651	512925841	/nfs/dbraw/zinc/92/58/41/512925841.db2.gz	ROSHLUXOWKQQLQ-UHFFFAOYSA-N	-2	1	374.733	2.886	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000533628418	517550885	/nfs/dbraw/zinc/55/08/85/517550885.db2.gz	MFURLGWVNQWYOT-UHFFFAOYSA-N	-2	1	368.342	2.795	20	5		FFBDML
CSCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000546779678	517854303	/nfs/dbraw/zinc/85/43/03/517854303.db2.gz	PSZRPVBWMFACSZ-UHFFFAOYSA-N	-2	1	354.409	2.964	20	5		FFBDML
CCCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000829340844	601403480	/nfs/dbraw/zinc/40/34/80/601403480.db2.gz	UKKLGEHGRFKLNI-JTQLQIEISA-N	-2	1	364.807	2.560	20	5		FFBDML
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000373486124	512355774	/nfs/dbraw/zinc/35/57/74/512355774.db2.gz	UKHDZMZPNVHFFZ-UHFFFAOYSA-N	-2	1	370.361	2.741	20	5		FFBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000326276421	511855583	/nfs/dbraw/zinc/85/55/83/511855583.db2.gz	BAJCBZIQAJUXII-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432177468	514118088	/nfs/dbraw/zinc/11/80/88/514118088.db2.gz	NBVZPHGEKODVLR-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000432197360	514123333	/nfs/dbraw/zinc/12/33/33/514123333.db2.gz	XQNSIVWZSKITID-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH][n-]2)c1	ZINC000444809914	514341317	/nfs/dbraw/zinc/34/13/17/514341317.db2.gz	CSEXAULIWJTLPD-UHFFFAOYSA-N	-2	1	356.313	2.812	20	5		FFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1	ZINC000484790692	514797197	/nfs/dbraw/zinc/79/71/97/514797197.db2.gz	BADVUZSBANFPTP-UHFFFAOYSA-N	-2	1	364.379	2.965	20	5		FFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000481970334	515531798	/nfs/dbraw/zinc/53/17/98/515531798.db2.gz	FFSVPHNSZNBNTR-UHFFFAOYSA-N	-2	1	364.379	2.640	20	5		FFBDML
Cc1ccccc1CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548553380	517049554	/nfs/dbraw/zinc/04/95/54/517049554.db2.gz	ZEWJQIAQUOHHHC-UHFFFAOYSA-N	-2	1	350.352	2.543	20	5		FFBDML
Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000833741177	605125847	/nfs/dbraw/zinc/12/58/47/605125847.db2.gz	AQYBPPGEGRNUHT-UHFFFAOYSA-N	-2	1	370.408	2.647	20	5		FFBDML
CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000780420025	738542110	/nfs/dbraw/zinc/54/21/10/738542110.db2.gz	DVYXFARCGVUFNY-UHFFFAOYSA-N	-2	1	350.352	2.612	20	5		FFBDML
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447339372	513452268	/nfs/dbraw/zinc/45/22/68/513452268.db2.gz	GMFBURUCIJXJHM-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000425942716	513803170	/nfs/dbraw/zinc/80/31/70/513803170.db2.gz	OARWVEBRVHFQTM-UHFFFAOYSA-N	-2	1	362.363	2.620	20	5		FFBDML
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432201933	514125421	/nfs/dbraw/zinc/12/54/21/514125421.db2.gz	MIHQBLXHHAUZCE-UHFFFAOYSA-N	-2	1	350.352	2.656	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F	ZINC000432207584	514126906	/nfs/dbraw/zinc/12/69/06/514126906.db2.gz	ZQITTWWQOOJFOV-UHFFFAOYSA-N	-2	1	354.315	2.541	20	5		FFBDML
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1	ZINC000471108884	514756316	/nfs/dbraw/zinc/75/63/16/514756316.db2.gz	UEKBXOXJLIAXMP-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc(C(=O)[O-])c1	ZINC000507595518	516257061	/nfs/dbraw/zinc/25/70/61/516257061.db2.gz	JQEBNPHMOCPXPH-UHFFFAOYSA-N	-2	1	350.352	2.711	20	5		FFBDML
Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000531527376	516509875	/nfs/dbraw/zinc/50/98/75/516509875.db2.gz	QSNONMWRCJUNBQ-UHFFFAOYSA-N	-2	1	368.342	2.850	20	5		FFBDML
CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000544663432	516862281	/nfs/dbraw/zinc/86/22/81/516862281.db2.gz	XIQKASQUFUGZCQ-UHFFFAOYSA-N	-2	1	365.729	2.870	20	5		FFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000740100212	602645566	/nfs/dbraw/zinc/64/55/66/602645566.db2.gz	SYEVEZJJVHLQGI-UHFFFAOYSA-N	-2	1	351.340	2.794	20	5		FFBDML