smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000554680046	564769914	/nfs/dbraw/zinc/76/99/14/564769914.db2.gz	LCBXUNGOLZMECK-GFCCVEGCSA-N	-2	1	390.845	2.950	20	5		GFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000738478807	600301165	/nfs/dbraw/zinc/30/11/65/600301165.db2.gz	NENNMJYKQQVKMS-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C(=O)[O-])C3)cc1[N+](=O)[O-]	ZINC000740151250	603182931	/nfs/dbraw/zinc/18/29/31/603182931.db2.gz	XFISHPAXDHLZMU-UHFFFAOYSA-N	-2	1	391.405	2.740	20	5		GFBDML
O=C(N=c1[n-]nc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000516538125	564504159	/nfs/dbraw/zinc/50/41/59/564504159.db2.gz	FPHNKNAHRQJMTM-UHFFFAOYSA-N	-2	1	379.398	2.880	20	5		GFBDML
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1	ZINC000738213392	600539404	/nfs/dbraw/zinc/53/94/04/600539404.db2.gz	DRODHXLDTSSIAX-UHFFFAOYSA-N	-2	1	382.423	2.828	20	5		GFBDML
CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000484534596	600689961	/nfs/dbraw/zinc/68/99/61/600689961.db2.gz	CIAYXQLNNSHPLR-UHFFFAOYSA-N	-2	1	380.378	2.883	20	5		GFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1F	ZINC000832905730	602112154	/nfs/dbraw/zinc/11/21/54/602112154.db2.gz	RLMNAFREDQWPLI-UHFFFAOYSA-N	-2	1	390.295	2.820	20	5		GFBDML
C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776572955	656761288	/nfs/dbraw/zinc/76/12/88/656761288.db2.gz	CGOVUFQIIFMSFO-VHSXEESVSA-N	-2	1	378.834	2.806	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C(=O)[O-])c1	ZINC000758165637	602296430	/nfs/dbraw/zinc/29/64/30/602296430.db2.gz	ZLVQMUPVPNAXRA-UHFFFAOYSA-N	-2	1	384.341	2.550	20	5		GFBDML
CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC000833662616	605328087	/nfs/dbraw/zinc/32/80/87/605328087.db2.gz	IEANQYOIUYVIEV-UHFFFAOYSA-N	-2	1	380.378	2.801	20	5		GFBDML
O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000837291589	660983322	/nfs/dbraw/zinc/98/33/22/660983322.db2.gz	KYHOAVYUBUYGIS-ONGXEEELSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CCCC1	ZINC000776554751	656757363	/nfs/dbraw/zinc/75/73/63/656757363.db2.gz	JHXPKBFLAAYGPT-LLVKDONJSA-N	-2	1	390.845	2.808	20	5		GFBDML
O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547933401	564522423	/nfs/dbraw/zinc/52/24/23/564522423.db2.gz	RFNVWTQISHPNEF-PWSUYJOCSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547933400	564522902	/nfs/dbraw/zinc/52/29/02/564522902.db2.gz	RFNVWTQISHPNEF-JQWIXIFHSA-N	-2	1	390.845	2.950	20	5		GFBDML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000484544048	600690601	/nfs/dbraw/zinc/69/06/01/600690601.db2.gz	UHMJIYXMLOKSCJ-UHFFFAOYSA-N	-2	1	380.378	2.801	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000758165287	604660014	/nfs/dbraw/zinc/66/00/14/604660014.db2.gz	XECPZADIKBLCKO-UHFFFAOYSA-N	-2	1	384.341	2.550	20	5		GFBDML
CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289186	660982433	/nfs/dbraw/zinc/98/24/33/660982433.db2.gz	WBKPIZKAPQOAEK-LLVKDONJSA-N	-2	1	382.797	2.555	20	5		GFBDML
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288975	660982481	/nfs/dbraw/zinc/98/24/81/660982481.db2.gz	SESXVCMOFPUYQR-QMMMGPOBSA-N	-2	1	382.797	2.699	20	5		GFBDML
O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776630924	656771563	/nfs/dbraw/zinc/77/15/63/656771563.db2.gz	BRNJJKLLKCKGNR-NSHDSACASA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])c1c([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)cccc1[N+](=O)[O-]	ZINC000566546522	564331714	/nfs/dbraw/zinc/33/17/14/564331714.db2.gz	HLHJBYFVDGJSQC-SECBINFHSA-N	-2	1	378.353	2.860	20	5		GFBDML
Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738569057	600170191	/nfs/dbraw/zinc/17/01/91/600170191.db2.gz	CDXVVYYHJZNYJP-CYBMUJFWSA-N	-2	1	398.824	2.703	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833733306	605167903	/nfs/dbraw/zinc/16/79/03/605167903.db2.gz	NETKSTUBXLEOTJ-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1F	ZINC000543951079	605262071	/nfs/dbraw/zinc/26/20/71/605262071.db2.gz	OYCHFKWRJJROKU-UHFFFAOYSA-N	-2	1	384.341	2.550	20	5		GFBDML
C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000547901102	564518398	/nfs/dbraw/zinc/51/83/98/564518398.db2.gz	KSSZUEXXEJQQHL-BMIGLBTASA-N	-2	1	390.845	2.808	20	5		GFBDML
COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000485210307	600690524	/nfs/dbraw/zinc/69/05/24/600690524.db2.gz	QUSLPCBYIVRXDU-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
O=C([O-])c1ccc([N+](=O)[O-])c(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1	ZINC000833323928	600811223	/nfs/dbraw/zinc/81/12/23/600811223.db2.gz	CRUNOWNQADJWMU-UHFFFAOYSA-N	-2	1	393.315	2.920	20	5		GFBDML
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822035449	607154239	/nfs/dbraw/zinc/15/42/39/607154239.db2.gz	VCZKEQXGITXZLX-UHFFFAOYSA-N	-2	1	394.800	2.538	20	5		GFBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000013195129	654503332	/nfs/dbraw/zinc/50/33/32/654503332.db2.gz	PXFZEKVSWUSIHK-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837286540	660981883	/nfs/dbraw/zinc/98/18/83/660981883.db2.gz	JFPAGRZPANIQIK-UHFFFAOYSA-N	-2	1	382.797	2.701	20	5		GFBDML
C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289257	660982503	/nfs/dbraw/zinc/98/25/03/660982503.db2.gz	XPTGVJAWTJRMLU-RKDXNWHRSA-N	-2	1	396.824	2.945	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1	ZINC000776477510	656745941	/nfs/dbraw/zinc/74/59/41/656745941.db2.gz	OJMQRFGZFKFFLC-LLVKDONJSA-N	-2	1	390.826	2.804	20	5		GFBDML
O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776552735	656756708	/nfs/dbraw/zinc/75/67/08/656756708.db2.gz	RAQWGSKSHVNZDU-UHFFFAOYSA-N	-2	1	378.834	2.952	20	5		GFBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1	ZINC000776603768	656765804	/nfs/dbraw/zinc/76/58/04/656765804.db2.gz	NEWAOHCBMUJORH-LLVKDONJSA-N	-2	1	394.789	2.553	20	5		GFBDML
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000547901103	564518556	/nfs/dbraw/zinc/51/85/56/564518556.db2.gz	KSSZUEXXEJQQHL-BONVTDFDSA-N	-2	1	390.845	2.808	20	5		GFBDML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000609819194	566054183	/nfs/dbraw/zinc/05/41/83/566054183.db2.gz	ATLBWKZIVPMLEP-UHFFFAOYSA-N	-2	1	386.769	2.541	20	5		GFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1	ZINC000737267675	600302382	/nfs/dbraw/zinc/30/23/82/600302382.db2.gz	HBBNEGUOBFHUDN-UHFFFAOYSA-N	-2	1	379.394	2.726	20	5		GFBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1	ZINC000833169099	601596928	/nfs/dbraw/zinc/59/69/28/601596928.db2.gz	CNQUTDWIVIBNMJ-ZDUSSCGKSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289255	660982571	/nfs/dbraw/zinc/98/25/71/660982571.db2.gz	XPTGVJAWTJRMLU-IUCAKERBSA-N	-2	1	396.824	2.945	20	5		GFBDML
O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000837295882	660984354	/nfs/dbraw/zinc/98/43/54/660984354.db2.gz	LXEDLZIALHRIDM-CMPLNLGQSA-N	-2	1	390.845	2.950	20	5		GFBDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1	ZINC000747603165	655780494	/nfs/dbraw/zinc/78/04/94/655780494.db2.gz	WXCCOEFDLXPVMR-UHFFFAOYSA-N	-2	1	385.785	2.638	20	5		GFBDML
O=C([O-])CCCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000776551820	656756631	/nfs/dbraw/zinc/75/66/31/656756631.db2.gz	LZIPKENEWRCXMS-UHFFFAOYSA-N	-2	1	378.834	2.952	20	5		GFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1[N+](=O)[O-]	ZINC000431183967	563556689	/nfs/dbraw/zinc/55/66/89/563556689.db2.gz	RDXYYFNBKVOPCH-UHFFFAOYSA-N	-2	1	376.268	2.511	20	5		GFBDML
O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccc2ccccc2c1	ZINC000739410122	600181149	/nfs/dbraw/zinc/18/11/49/600181149.db2.gz	YVRWHKUZXMUINK-HNNXBMFYSA-N	-2	1	395.371	2.522	20	5		GFBDML
CC(C)(C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000826105691	602217016	/nfs/dbraw/zinc/21/70/16/602217016.db2.gz	GKDWPONERSWGLC-HNNXBMFYSA-N	-2	1	396.396	2.864	20	5		GFBDML
C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-]	ZINC000833567962	605245663	/nfs/dbraw/zinc/24/56/63/605245663.db2.gz	BPHWQMGIOPXFRI-YMTOWFKASA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837294392	660984078	/nfs/dbraw/zinc/98/40/78/660984078.db2.gz	UVHLMWZUYKLZSK-SSDOTTSWSA-N	-2	1	382.797	2.555	20	5		GFBDML
CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548596602	564565788	/nfs/dbraw/zinc/56/57/88/564565788.db2.gz	OZCMHUTUJBBTFU-VIFPVBQESA-N	-2	1	378.834	2.806	20	5		GFBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1	ZINC000551996745	564671414	/nfs/dbraw/zinc/67/14/14/564671414.db2.gz	MOYDBEWNQSPDET-UHFFFAOYSA-N	-2	1	384.797	2.931	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1	ZINC000761899603	656023862	/nfs/dbraw/zinc/02/38/62/656023862.db2.gz	FNBGLIBAXSHWFS-UHFFFAOYSA-N	-2	1	386.769	2.761	20	5		GFBDML
CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000776641417	656774232	/nfs/dbraw/zinc/77/42/32/656774232.db2.gz	RQTOCNKBGNLBJC-SECBINFHSA-N	-2	1	378.834	2.664	20	5		GFBDML
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]n1	ZINC000829216815	602102137	/nfs/dbraw/zinc/10/21/37/602102137.db2.gz	SQSRVNCNUGJVLQ-SECBINFHSA-N	-2	1	382.398	2.721	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCN(C(=O)[O-])C2	ZINC000740046930	603182375	/nfs/dbraw/zinc/18/23/75/603182375.db2.gz	AFLRFBVTNAZKEK-UHFFFAOYSA-N	-2	1	391.405	2.740	20	5		GFBDML
C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-]	ZINC000833567961	605245543	/nfs/dbraw/zinc/24/55/43/605245543.db2.gz	BPHWQMGIOPXFRI-XPTSAGLGSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)Cn1ncc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1C(F)F	ZINC000824284316	608017556	/nfs/dbraw/zinc/01/75/56/608017556.db2.gz	DJPYRQWDZGQHFA-UHFFFAOYSA-N	-2	1	379.331	2.704	20	5		GFBDML
CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000776552593	656756589	/nfs/dbraw/zinc/75/65/89/656756589.db2.gz	YIVWDDQBXQTVSJ-JTQLQIEISA-N	-2	1	378.834	2.664	20	5		GFBDML
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000849457930	661728917	/nfs/dbraw/zinc/72/89/17/661728917.db2.gz	RRZRPXSAIUYYRZ-RNCFNFMXSA-N	-2	1	390.845	2.806	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000392259668	563526155	/nfs/dbraw/zinc/52/61/55/563526155.db2.gz	PFQAGHMFCDWAGD-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000484963961	600900155	/nfs/dbraw/zinc/90/01/55/600900155.db2.gz	UTGJZTJTAOJTHN-UHFFFAOYSA-N	-2	1	394.405	2.766	20	5		GFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1	ZINC000832905490	601475163	/nfs/dbraw/zinc/47/51/63/601475163.db2.gz	PAEJGRXVNDZVEA-UHFFFAOYSA-N	-2	1	379.394	2.780	20	5		GFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-]	ZINC000740159916	602245516	/nfs/dbraw/zinc/24/55/16/602245516.db2.gz	PFUUFKOAQXPSFH-UHFFFAOYSA-N	-2	1	377.378	2.745	20	5		GFBDML
C[C@@H](CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000833516677	605036970	/nfs/dbraw/zinc/03/69/70/605036970.db2.gz	SAUXYNWZOICHMR-LBPRGKRZSA-N	-2	1	393.421	2.553	20	5		GFBDML
COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000736064933	655658169	/nfs/dbraw/zinc/65/81/69/655658169.db2.gz	XGPWVIZPFLGYHJ-UHFFFAOYSA-N	-2	1	386.769	2.541	20	5		GFBDML
CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000570994160	564530495	/nfs/dbraw/zinc/53/04/95/564530495.db2.gz	WIHDWLBSWFBSOM-MWLCHTKSSA-N	-2	1	378.834	2.806	20	5		GFBDML
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000619470229	565343798	/nfs/dbraw/zinc/34/37/98/565343798.db2.gz	XIXXJSCCJPEFMU-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc([N+](=O)[O-])c1	ZINC000833301417	601475359	/nfs/dbraw/zinc/47/53/59/601475359.db2.gz	YSXPHWURFUBYLI-UHFFFAOYSA-N	-2	1	376.390	2.973	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000761899283	601988564	/nfs/dbraw/zinc/98/85/64/601988564.db2.gz	YRKQFQGMDWNZAF-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F	ZINC000739932655	602652994	/nfs/dbraw/zinc/65/29/94/602652994.db2.gz	HVGRZPFRXLUINY-UHFFFAOYSA-N	-2	1	385.329	2.633	20	5		GFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1	ZINC000833744664	605289220	/nfs/dbraw/zinc/28/92/20/605289220.db2.gz	HBWNHHKXSNFQRN-UHFFFAOYSA-N	-2	1	383.357	2.957	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837290132	660982744	/nfs/dbraw/zinc/98/27/44/660982744.db2.gz	PBXONGTVTMXHEW-GXTWGEPZSA-N	-2	1	394.808	2.699	20	5		GFBDML
C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776572953	656761171	/nfs/dbraw/zinc/76/11/71/656761171.db2.gz	CGOVUFQIIFMSFO-UWVGGRQHSA-N	-2	1	378.834	2.806	20	5		GFBDML
C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776572957	656761201	/nfs/dbraw/zinc/76/12/01/656761201.db2.gz	CGOVUFQIIFMSFO-ZJUUUORDSA-N	-2	1	378.834	2.806	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776637039	656772932	/nfs/dbraw/zinc/77/29/32/656772932.db2.gz	YVUGXGMXLHWZSI-TZMCWYRMSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776637037	656772991	/nfs/dbraw/zinc/77/29/91/656772991.db2.gz	YVUGXGMXLHWZSI-OCCSQVGLSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCCC1	ZINC000841777272	661312432	/nfs/dbraw/zinc/31/24/32/661312432.db2.gz	YCCXZPLPMDQKDW-UHFFFAOYSA-N	-2	1	397.236	2.967	20	5		GFBDML
CC[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CC(F)(F)F	ZINC000515303855	564474959	/nfs/dbraw/zinc/47/49/59/564474959.db2.gz	BRXZQAGYWJKJMQ-QMMMGPOBSA-N	-2	1	384.332	2.550	20	5		GFBDML
O=C([O-])CCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000484104733	597312155	/nfs/dbraw/zinc/31/21/55/597312155.db2.gz	VMRCGJNYPKDIKJ-UHFFFAOYSA-N	-2	1	379.394	2.672	20	5		GFBDML
Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1[N+](=O)[O-]	ZINC000738396289	601047605	/nfs/dbraw/zinc/04/76/05/601047605.db2.gz	AMJZNPYFHBZDMQ-UHFFFAOYSA-N	-2	1	390.295	2.820	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000833733063	605167919	/nfs/dbraw/zinc/16/79/19/605167919.db2.gz	BWSKSTFSISQGPJ-RUDMXATFSA-N	-2	1	378.362	2.502	20	5		GFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000752855564	655847419	/nfs/dbraw/zinc/84/74/19/655847419.db2.gz	APLDQEWTIPRNOG-UHFFFAOYSA-N	-2	1	387.757	2.971	20	5		GFBDML
CCC[C@H](CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000799745045	659220822	/nfs/dbraw/zinc/22/08/22/659220822.db2.gz	ZVXWNSOZVUQSMO-LLVKDONJSA-N	-2	1	376.406	2.683	20	5		GFBDML
O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1cccc2ccccc21	ZINC000739404610	600181012	/nfs/dbraw/zinc/18/10/12/600181012.db2.gz	YEDLTVGGTAULJS-CQSZACIVSA-N	-2	1	395.371	2.522	20	5		GFBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1	ZINC000833169098	601596992	/nfs/dbraw/zinc/59/69/92/601596992.db2.gz	CNQUTDWIVIBNMJ-CYBMUJFWSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-]	ZINC000833570914	605246947	/nfs/dbraw/zinc/24/69/47/605246947.db2.gz	VLHKHAFCLSXLIP-YGRLFVJLSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837289251	660982591	/nfs/dbraw/zinc/98/25/91/660982591.db2.gz	XPTGVJAWTJRMLU-BDAKNGLRSA-N	-2	1	396.824	2.945	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-]	ZINC000818820522	597127143	/nfs/dbraw/zinc/12/71/43/597127143.db2.gz	WAYVKYSJJRQXSE-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1ccc2ccccc2c1	ZINC000739410124	600181272	/nfs/dbraw/zinc/18/12/72/600181272.db2.gz	YVRWHKUZXMUINK-OAHLLOKOSA-N	-2	1	395.371	2.522	20	5		GFBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1	ZINC000833169516	601596974	/nfs/dbraw/zinc/59/69/74/601596974.db2.gz	QUDJHQAWYMGYGM-GFCCVEGCSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)(C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000826105692	602216901	/nfs/dbraw/zinc/21/69/01/602216901.db2.gz	GKDWPONERSWGLC-OAHLLOKOSA-N	-2	1	396.396	2.864	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837290134	660982811	/nfs/dbraw/zinc/98/28/11/660982811.db2.gz	PBXONGTVTMXHEW-OCCSQVGLSA-N	-2	1	394.808	2.699	20	5		GFBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1	ZINC000853025404	661878979	/nfs/dbraw/zinc/87/89/79/661878979.db2.gz	ZYQOTRTTXNUMAG-QMMMGPOBSA-N	-2	1	397.236	2.681	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c([N+](=O)[O-])c1	ZINC000327582576	563458542	/nfs/dbraw/zinc/45/85/42/563458542.db2.gz	XEOUUJRYSPDMFO-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738654680	600489158	/nfs/dbraw/zinc/48/91/58/600489158.db2.gz	FRYAVXSMTVSYNE-UHFFFAOYSA-N	-2	1	394.405	2.948	20	5		GFBDML
O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000739686843	600489243	/nfs/dbraw/zinc/48/92/43/600489243.db2.gz	CJASVFQRIBRWJV-UHFFFAOYSA-N	-2	1	380.378	2.639	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000740147386	602245673	/nfs/dbraw/zinc/24/56/73/602245673.db2.gz	NNNZACQNBOFXGP-UHFFFAOYSA-N	-2	1	377.378	2.745	20	5		GFBDML
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000841775987	661312145	/nfs/dbraw/zinc/31/21/45/661312145.db2.gz	DMYDFMOCBRUMPY-WKEGUHRASA-N	-2	1	385.225	2.679	20	5		GFBDML
CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC(=O)[O-]	ZINC000776573381	656761213	/nfs/dbraw/zinc/76/12/13/656761213.db2.gz	JZTDKVYTCOMUSR-UHFFFAOYSA-N	-2	1	378.834	2.808	20	5		GFBDML
C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000776627647	656771021	/nfs/dbraw/zinc/77/10/21/656771021.db2.gz	XDFVBFIXJOHZPV-BMIGLBTASA-N	-2	1	390.845	2.808	20	5		GFBDML
O=C([O-])C1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000841781466	661313103	/nfs/dbraw/zinc/31/31/03/661313103.db2.gz	POGUOSKYFQEOBS-UHFFFAOYSA-N	-2	1	397.236	2.823	20	5		GFBDML
CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000531191531	564903478	/nfs/dbraw/zinc/90/34/78/564903478.db2.gz	YAVKFHJQOMMBAY-UHFFFAOYSA-N	-2	1	382.419	2.957	20	5		GFBDML
C[C@H](Sc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000504703837	565043729	/nfs/dbraw/zinc/04/37/29/565043729.db2.gz	QOBICBDIOGEFNY-JTQLQIEISA-N	-2	1	382.419	2.961	20	5		GFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000777933731	605288458	/nfs/dbraw/zinc/28/84/58/605288458.db2.gz	WPWMKYDVTLMRLS-UHFFFAOYSA-N	-2	1	398.368	2.697	20	5		GFBDML
CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289187	660982556	/nfs/dbraw/zinc/98/25/56/660982556.db2.gz	WBKPIZKAPQOAEK-NSHDSACASA-N	-2	1	382.797	2.555	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C(=O)[O-])c1	ZINC000504665465	601474905	/nfs/dbraw/zinc/47/49/05/601474905.db2.gz	GHGOHNVPFQJNET-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CNC(=O)[O-])c1	ZINC000739541579	602655101	/nfs/dbraw/zinc/65/51/01/602655101.db2.gz	LWHAWLALFQXTFI-UHFFFAOYSA-N	-2	1	379.394	2.726	20	5		GFBDML
C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-]	ZINC000833567960	605245501	/nfs/dbraw/zinc/24/55/01/605245501.db2.gz	BPHWQMGIOPXFRI-OTYXRUKQSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCC1	ZINC000853025054	661878959	/nfs/dbraw/zinc/87/89/59/661878959.db2.gz	SEDSQQYBMNCZAR-MRVPVSSYSA-N	-2	1	397.236	2.681	20	5		GFBDML
C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC000548837107	564577572	/nfs/dbraw/zinc/57/75/72/564577572.db2.gz	JFAHULVIHCRJKA-XPTSAGLGSA-N	-2	1	376.818	2.560	20	5		GFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1	ZINC000738665214	600489105	/nfs/dbraw/zinc/48/91/05/600489105.db2.gz	XQFOLQHAEOLOMY-UHFFFAOYSA-N	-2	1	394.405	2.948	20	5		GFBDML
O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1	ZINC000833206488	601266186	/nfs/dbraw/zinc/26/61/86/601266186.db2.gz	VVPZUZAXZNJACY-UHFFFAOYSA-N	-2	1	376.818	2.704	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1	ZINC000776445899	656742734	/nfs/dbraw/zinc/74/27/34/656742734.db2.gz	ZBBOIEBHMXONIF-JTQLQIEISA-N	-2	1	390.826	2.804	20	5		GFBDML
CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000548205887	564536544	/nfs/dbraw/zinc/53/65/44/564536544.db2.gz	GGSLLPQUMQKVIJ-VIFPVBQESA-N	-2	1	378.834	2.664	20	5		GFBDML
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000739666595	599981134	/nfs/dbraw/zinc/98/11/34/599981134.db2.gz	QEBGFOKXCNCNLX-ZDUSSCGKSA-N	-2	1	382.369	2.618	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])cc1[N+](=O)[O-]	ZINC000830421186	604014337	/nfs/dbraw/zinc/01/43/37/604014337.db2.gz	LQMXBBFPPXGRNZ-UHFFFAOYSA-N	-2	1	377.378	2.745	20	5		GFBDML
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000837287626	660982245	/nfs/dbraw/zinc/98/22/45/660982245.db2.gz	GUAMOJBPCWRLTB-KYZUINATSA-N	-2	1	394.808	2.557	20	5		GFBDML
Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000776500876	656748057	/nfs/dbraw/zinc/74/80/57/656748057.db2.gz	QPJKYPRPYYDDNI-AWEZNQCLSA-N	-2	1	384.797	2.661	20	5		GFBDML
CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776614629	656766773	/nfs/dbraw/zinc/76/67/73/656766773.db2.gz	IVENYTFVXBDBEZ-SNVBAGLBSA-N	-2	1	378.834	2.806	20	5		GFBDML
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000594848492	565429165	/nfs/dbraw/zinc/42/91/65/565429165.db2.gz	MNYQOUXYPFUTBN-SKDRFNHKSA-N	-2	1	390.845	2.806	20	5		GFBDML
CC[C@]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736919507	600135695	/nfs/dbraw/zinc/13/56/95/600135695.db2.gz	AJHTXODKGGQTJF-MRXNPFEDSA-N	-2	1	398.824	2.917	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000833733258	605167779	/nfs/dbraw/zinc/16/77/79/605167779.db2.gz	JXZCKVAIIILCOY-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822239982	607154227	/nfs/dbraw/zinc/15/42/27/607154227.db2.gz	NEYMVYXIXQXKTR-UHFFFAOYSA-N	-2	1	394.800	2.538	20	5		GFBDML
CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2O1	ZINC000485207418	601830662	/nfs/dbraw/zinc/83/06/62/601830662.db2.gz	MGKXLWLNSZSWKC-UHFFFAOYSA-N	-2	1	392.389	2.807	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013263461	654503714	/nfs/dbraw/zinc/50/37/14/654503714.db2.gz	WZYJEEHGWKVTED-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000837295895	660984451	/nfs/dbraw/zinc/98/44/51/660984451.db2.gz	LXEDLZIALHRIDM-ZYHUDNBSSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776630922	656771737	/nfs/dbraw/zinc/77/17/37/656771737.db2.gz	BRNJJKLLKCKGNR-LLVKDONJSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548556020	564559410	/nfs/dbraw/zinc/55/94/10/564559410.db2.gz	SVJMPWISJRTFTB-NSHDSACASA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1	ZINC000739634914	599725056	/nfs/dbraw/zinc/72/50/56/599725056.db2.gz	OVVJTTSDEYSWCG-SECBINFHSA-N	-2	1	390.826	2.804	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1C	ZINC000485229327	600690613	/nfs/dbraw/zinc/69/06/13/600690613.db2.gz	UMNYCSCDCCUUDD-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000740049929	602491087	/nfs/dbraw/zinc/49/10/87/602491087.db2.gz	QKQCFUAXSXHJCM-UHFFFAOYSA-N	-2	1	391.405	2.740	20	5		GFBDML
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837288974	660982541	/nfs/dbraw/zinc/98/25/41/660982541.db2.gz	SESXVCMOFPUYQR-MRVPVSSYSA-N	-2	1	382.797	2.699	20	5		GFBDML
O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000515961839	564490596	/nfs/dbraw/zinc/49/05/96/564490596.db2.gz	XBMXUUUSQCNVJQ-KOLCDFICSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc([N+](=O)[O-])c1	ZINC000504593513	565042082	/nfs/dbraw/zinc/04/20/82/565042082.db2.gz	RITWRJPBQSTWNB-UHFFFAOYSA-N	-2	1	384.797	2.931	20	5		GFBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000504523453	601474998	/nfs/dbraw/zinc/47/49/98/601474998.db2.gz	CHYKARCCPYKHLW-UHFFFAOYSA-N	-2	1	394.405	2.866	20	5		GFBDML
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1Cl	ZINC000822258783	607154203	/nfs/dbraw/zinc/15/42/03/607154203.db2.gz	CLYNNQUSNHTWFG-UHFFFAOYSA-N	-2	1	394.800	2.538	20	5		GFBDML
CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CCC(=O)[O-]	ZINC000837289307	660982603	/nfs/dbraw/zinc/98/26/03/660982603.db2.gz	YGCMUJFMUQPWJX-UHFFFAOYSA-N	-2	1	396.824	2.947	20	5		GFBDML
Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000179755841	655316924	/nfs/dbraw/zinc/31/69/24/655316924.db2.gz	FDAJZQIYPQFBEM-UHFFFAOYSA-N	-2	1	388.199	2.567	20	5		GFBDML
COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000765990180	656157373	/nfs/dbraw/zinc/15/73/73/656157373.db2.gz	RKELXBKEDDIGRS-UHFFFAOYSA-N	-2	1	386.769	2.541	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738063786	600100972	/nfs/dbraw/zinc/10/09/72/600100972.db2.gz	JVCLTSYWECEAEA-UHFFFAOYSA-N	-2	1	385.329	2.633	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738064223	600301090	/nfs/dbraw/zinc/30/10/90/600301090.db2.gz	XBWXFPQSSSDMGA-UHFFFAOYSA-N	-2	1	395.393	2.514	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1[N+](=O)[O-]	ZINC000541079628	605167084	/nfs/dbraw/zinc/16/70/84/605167084.db2.gz	ACMYJRYGRDWAOZ-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000818430657	660225754	/nfs/dbraw/zinc/22/57/54/660225754.db2.gz	LJGNHRYQVULSSD-UHFFFAOYSA-N	-2	1	382.797	2.557	20	5		GFBDML
O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776615946	656768266	/nfs/dbraw/zinc/76/82/66/656768266.db2.gz	NVDAELRVDFGGOU-NEPJUHHUSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])c1c([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)cccc1[N+](=O)[O-]	ZINC000566546524	564331601	/nfs/dbraw/zinc/33/16/01/564331601.db2.gz	HLHJBYFVDGJSQC-VIFPVBQESA-N	-2	1	378.353	2.860	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000570994148	564530630	/nfs/dbraw/zinc/53/06/30/564530630.db2.gz	SKTAEVSVDONSIL-BXUZGUMPSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000500313599	564950486	/nfs/dbraw/zinc/95/04/86/564950486.db2.gz	HSVMYZDEBHLMQP-UHFFFAOYSA-N	-2	1	386.769	2.512	20	5		GFBDML
C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776572951	656761318	/nfs/dbraw/zinc/76/13/18/656761318.db2.gz	CGOVUFQIIFMSFO-NXEZZACHSA-N	-2	1	378.834	2.806	20	5		GFBDML
O=C([O-])CC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1	ZINC000566899102	564348594	/nfs/dbraw/zinc/34/85/94/564348594.db2.gz	KUQPNDAUHRCRRK-UHFFFAOYSA-N	-2	1	376.456	2.750	20	5		GFBDML
C[C@H]1CC[C@](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000547901105	564518379	/nfs/dbraw/zinc/51/83/79/564518379.db2.gz	KSSZUEXXEJQQHL-ZUZCIYMTSA-N	-2	1	390.845	2.808	20	5		GFBDML
Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000776502014	656748693	/nfs/dbraw/zinc/74/86/93/656748693.db2.gz	YSHRIAZBRAYLHD-AWEZNQCLSA-N	-2	1	384.797	2.661	20	5		GFBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1	ZINC000776553448	656756562	/nfs/dbraw/zinc/75/65/62/656756562.db2.gz	WAKPZYVBZVBYAX-LLVKDONJSA-N	-2	1	390.845	2.808	20	5		GFBDML
CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776589822	656763728	/nfs/dbraw/zinc/76/37/28/656763728.db2.gz	YGGFURDKTPPTJP-SNVBAGLBSA-N	-2	1	378.834	2.806	20	5		GFBDML
CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776589821	656763823	/nfs/dbraw/zinc/76/38/23/656763823.db2.gz	YGGFURDKTPPTJP-JTQLQIEISA-N	-2	1	378.834	2.806	20	5		GFBDML
COc1nc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2s1	ZINC000430975090	563550864	/nfs/dbraw/zinc/55/08/64/563550864.db2.gz	IOCFLOWWNKOHTJ-UHFFFAOYSA-N	-2	1	381.391	2.720	20	5		GFBDML
CC1(C)CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])CC1	ZINC000541002048	564263381	/nfs/dbraw/zinc/26/33/81/564263381.db2.gz	MHRWXZDBDQTJAS-UHFFFAOYSA-N	-2	1	390.845	2.950	20	5		GFBDML
C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC000548837108	564577494	/nfs/dbraw/zinc/57/74/94/564577494.db2.gz	JFAHULVIHCRJKA-YMTOWFKASA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)(CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000818430474	660225739	/nfs/dbraw/zinc/22/57/39/660225739.db2.gz	IYEXUHDRZGWYBN-UHFFFAOYSA-N	-2	1	385.225	2.681	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000326811794	563455840	/nfs/dbraw/zinc/45/58/40/563455840.db2.gz	VQBCYHMXGBDFMK-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)(F)F	ZINC000414399263	563733653	/nfs/dbraw/zinc/73/36/53/563733653.db2.gz	XIVQXKTXAOOTSJ-MRVPVSSYSA-N	-2	1	384.332	2.550	20	5		GFBDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000444676196	563834603	/nfs/dbraw/zinc/83/46/03/563834603.db2.gz	PUPLTNCOUPNHTI-UHFFFAOYSA-N	-3	1	386.769	2.761	20	5		GFBDML
CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC(=O)[O-]	ZINC000548588358	564564473	/nfs/dbraw/zinc/56/44/73/564564473.db2.gz	METYEWPJHGZOLN-UHFFFAOYSA-N	-2	1	378.834	2.808	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1	ZINC000739634917	599725069	/nfs/dbraw/zinc/72/50/69/599725069.db2.gz	OVVJTTSDEYSWCG-VIFPVBQESA-N	-2	1	390.826	2.804	20	5		GFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1	ZINC000737267013	599853310	/nfs/dbraw/zinc/85/33/10/599853310.db2.gz	AKEKPPXVYDYKAH-UHFFFAOYSA-N	-2	1	378.406	2.975	20	5		GFBDML
O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000740020702	600448221	/nfs/dbraw/zinc/44/82/21/600448221.db2.gz	QSOAXFHORMRVLV-UHFFFAOYSA-N	-2	1	399.812	2.859	20	5		GFBDML
C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-]	ZINC000833570913	605246557	/nfs/dbraw/zinc/24/65/57/605246557.db2.gz	VLHKHAFCLSXLIP-QMTHXVAHSA-N	-2	1	376.818	2.560	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000833734627	605265250	/nfs/dbraw/zinc/26/52/50/605265250.db2.gz	QIRIWGMUMQNVGR-UHFFFAOYSA-N	-2	1	385.329	2.633	20	5		GFBDML
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822202063	607154434	/nfs/dbraw/zinc/15/44/34/607154434.db2.gz	JJMYIMCOLVXFIY-UHFFFAOYSA-N	-2	1	394.800	2.538	20	5		GFBDML
C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000776627654	656770993	/nfs/dbraw/zinc/77/09/93/656770993.db2.gz	XDFVBFIXJOHZPV-ZUZCIYMTSA-N	-2	1	390.845	2.808	20	5		GFBDML
CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000776641419	656774338	/nfs/dbraw/zinc/77/43/38/656774338.db2.gz	RQTOCNKBGNLBJC-VIFPVBQESA-N	-2	1	378.834	2.664	20	5		GFBDML
CCC[C@@H](CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000799745046	659220717	/nfs/dbraw/zinc/22/07/17/659220717.db2.gz	ZVXWNSOZVUQSMO-NSHDSACASA-N	-2	1	376.406	2.683	20	5		GFBDML
CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000570994158	564530430	/nfs/dbraw/zinc/53/04/30/564530430.db2.gz	WIHDWLBSWFBSOM-GXSJLCMTSA-N	-2	1	378.834	2.806	20	5		GFBDML
O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000582829831	564863612	/nfs/dbraw/zinc/86/36/12/564863612.db2.gz	NRNMMGFCXDDCTH-CMPLNLGQSA-N	-2	1	390.845	2.950	20	5		GFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000833744496	605289068	/nfs/dbraw/zinc/28/90/68/605289068.db2.gz	CFTCDKHWVZKMID-UHFFFAOYSA-N	-2	1	397.384	2.953	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000327700342	563459501	/nfs/dbraw/zinc/45/95/01/563459501.db2.gz	WTAFOCAOAYEOEH-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000738563740	599723663	/nfs/dbraw/zinc/72/36/63/599723663.db2.gz	YUIABDXFGKAXGE-GFCCVEGCSA-N	-2	1	384.797	2.743	20	5		GFBDML
C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000776613765	601225232	/nfs/dbraw/zinc/22/52/32/601225232.db2.gz	GRRKOVGAFPPPIX-ZUZCIYMTSA-N	-2	1	398.824	2.989	20	5		GFBDML
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F	ZINC000739870751	602654713	/nfs/dbraw/zinc/65/47/13/602654713.db2.gz	DFAPNAXEUQLXCH-UHFFFAOYSA-N	-2	1	385.329	2.633	20	5		GFBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCC1	ZINC000841774911	661312353	/nfs/dbraw/zinc/31/23/53/661312353.db2.gz	OFJPNFCAMSIJMD-UHFFFAOYSA-N	-2	1	383.209	2.577	20	5		GFBDML
O=C([O-])CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841777639	661312533	/nfs/dbraw/zinc/31/25/33/661312533.db2.gz	QAYRUTXEMWBYOE-UHFFFAOYSA-N	-2	1	385.225	2.825	20	5		GFBDML
CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000485040423	564605615	/nfs/dbraw/zinc/60/56/15/564605615.db2.gz	KZCSCJTYYSHGKE-SNVBAGLBSA-N	-2	1	378.834	2.806	20	5		GFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)c1C	ZINC000740100655	602655720	/nfs/dbraw/zinc/65/57/20/602655720.db2.gz	WFIBUFUBUZUHNR-UHFFFAOYSA-N	-2	1	379.394	2.780	20	5		GFBDML
O=C([O-])NCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000740679604	602656047	/nfs/dbraw/zinc/65/60/47/602656047.db2.gz	LILMOIHCTGECLQ-UHFFFAOYSA-N	-2	1	385.785	2.817	20	5		GFBDML
C[C@@H](c1ccccc1)n1ccc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000820571299	606720539	/nfs/dbraw/zinc/72/05/39/606720539.db2.gz	XRGQTKMQUVMRKH-NSHDSACASA-N	-2	1	377.368	2.719	20	5		GFBDML
CC(C)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000820198299	607153235	/nfs/dbraw/zinc/15/32/35/607153235.db2.gz	VAJPCXKHPQZNFP-UHFFFAOYSA-N	-2	1	388.409	2.699	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837290133	660982806	/nfs/dbraw/zinc/98/28/06/660982806.db2.gz	PBXONGTVTMXHEW-JSGCOSHPSA-N	-2	1	394.808	2.699	20	5		GFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1	ZINC000179671161	552199869	/nfs/dbraw/zinc/19/98/69/552199869.db2.gz	GKGDULZSDKVFHV-UHFFFAOYSA-N	-2	1	377.300	2.823	20	5		GFBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C1CCC1)C1CCC1	ZINC000556778971	564840162	/nfs/dbraw/zinc/84/01/62/564840162.db2.gz	MUOABISPSSPHRQ-AWEZNQCLSA-N	-2	1	388.467	2.604	20	5		GFBDML
COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000603463597	565907645	/nfs/dbraw/zinc/90/76/45/565907645.db2.gz	KQJKBITUHLYSPW-UHFFFAOYSA-N	-2	1	386.769	2.541	20	5		GFBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1	ZINC000833169517	601596955	/nfs/dbraw/zinc/59/69/55/601596955.db2.gz	QUDJHQAWYMGYGM-LBPRGKRZSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(F)(F)F	ZINC000833425101	605403100	/nfs/dbraw/zinc/40/31/00/605403100.db2.gz	UTBLYANHCQSVMY-NSHDSACASA-N	-2	1	398.359	2.938	20	5		GFBDML
O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1	ZINC000776484645	656745951	/nfs/dbraw/zinc/74/59/51/656745951.db2.gz	PZQKUTMZWHIYHX-UHFFFAOYSA-N	-2	1	390.845	2.952	20	5		GFBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CCCC1	ZINC000776554752	656757255	/nfs/dbraw/zinc/75/72/55/656757255.db2.gz	JHXPKBFLAAYGPT-NSHDSACASA-N	-2	1	390.845	2.808	20	5		GFBDML
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000846771386	661565434	/nfs/dbraw/zinc/56/54/34/661565434.db2.gz	IVOWQVWGJRXRIG-DVVUODLYSA-N	-2	1	390.845	2.662	20	5		GFBDML
CC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])CC1	ZINC000548771412	564574857	/nfs/dbraw/zinc/57/48/57/564574857.db2.gz	ZXUJWWAJNBSGRS-UHFFFAOYSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736920029	600135714	/nfs/dbraw/zinc/13/57/14/600135714.db2.gz	HEMKSJOMKBQHEM-MRXNPFEDSA-N	-2	1	398.824	2.917	20	5		GFBDML
O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000833347627	601605929	/nfs/dbraw/zinc/60/59/29/601605929.db2.gz	BBRHSGHVLOQPJI-UHFFFAOYSA-N	-2	1	394.390	2.545	20	5		GFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc(F)c1F	ZINC000751141781	601829874	/nfs/dbraw/zinc/82/98/74/601829874.db2.gz	IOPDWFSGSKCVFH-UHFFFAOYSA-N	-2	1	376.268	2.511	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1	ZINC000577478909	655460703	/nfs/dbraw/zinc/46/07/03/655460703.db2.gz	GBHHWKHVXHVKDI-SNVBAGLBSA-N	-2	1	390.826	2.804	20	5		GFBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000846769445	661565332	/nfs/dbraw/zinc/56/53/32/661565332.db2.gz	LEBBYGSEEWUFEA-ZETCQYMHSA-N	-2	1	385.225	2.537	20	5		GFBDML
C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000504703838	565043559	/nfs/dbraw/zinc/04/35/59/565043559.db2.gz	QOBICBDIOGEFNY-SNVBAGLBSA-N	-2	1	382.419	2.961	20	5		GFBDML
CC[C@@]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736920028	600135388	/nfs/dbraw/zinc/13/53/88/600135388.db2.gz	HEMKSJOMKBQHEM-INIZCTEOSA-N	-2	1	398.824	2.917	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1	ZINC000738306180	600489352	/nfs/dbraw/zinc/48/93/52/600489352.db2.gz	XNLZGCLIASZUGS-UHFFFAOYSA-N	-2	1	394.405	2.948	20	5		GFBDML
C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-]	ZINC000833567959	605245651	/nfs/dbraw/zinc/24/56/51/605245651.db2.gz	BPHWQMGIOPXFRI-LKFCYVNXSA-N	-2	1	376.818	2.560	20	5		GFBDML
Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000776500877	656748248	/nfs/dbraw/zinc/74/82/48/656748248.db2.gz	QPJKYPRPYYDDNI-CQSZACIVSA-N	-2	1	384.797	2.661	20	5		GFBDML
O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1	ZINC000776603769	656765689	/nfs/dbraw/zinc/76/56/89/656765689.db2.gz	NEWAOHCBMUJORH-NSHDSACASA-N	-2	1	394.789	2.553	20	5		GFBDML
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000841776384	661312235	/nfs/dbraw/zinc/31/22/35/661312235.db2.gz	ISOANSMSWCZNFX-KGFZYKRKSA-N	-2	1	385.225	2.679	20	5		GFBDML
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841776436	661312335	/nfs/dbraw/zinc/31/23/35/661312335.db2.gz	QIWWEDPEYWFZGF-UHFFFAOYSA-N	-2	1	385.225	2.823	20	5		GFBDML
CC(C)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000841777363	661312615	/nfs/dbraw/zinc/31/26/15/661312615.db2.gz	UMIPPNQSGUCQBL-SECBINFHSA-N	-2	1	385.225	2.679	20	5		GFBDML
Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738570791	600170777	/nfs/dbraw/zinc/17/07/77/600170777.db2.gz	WEQOVMMEIGLXMM-GFCCVEGCSA-N	-2	1	398.824	2.703	20	5		GFBDML
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]n1	ZINC000829216817	602102553	/nfs/dbraw/zinc/10/25/53/602102553.db2.gz	SQSRVNCNUGJVLQ-VIFPVBQESA-N	-2	1	382.398	2.721	20	5		GFBDML
C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-]	ZINC000833570912	605246860	/nfs/dbraw/zinc/24/68/60/605246860.db2.gz	VLHKHAFCLSXLIP-IINYFYTJSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1-c1nn[n-]n1	ZINC000823647112	607154146	/nfs/dbraw/zinc/15/41/46/607154146.db2.gz	GCKUAGYZJBFHSK-UHFFFAOYSA-N	-2	1	396.388	2.729	20	5		GFBDML
Cc1cc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl	ZINC000776550731	656756187	/nfs/dbraw/zinc/75/61/87/656756187.db2.gz	CFCJTPKUUIGIJX-GFCCVEGCSA-N	-2	1	390.826	2.722	20	5		GFBDML
O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000863417928	662329061	/nfs/dbraw/zinc/32/90/61/662329061.db2.gz	ILBUICYZCVOTJA-KCJUWKMLSA-N	-2	1	394.808	2.699	20	5		GFBDML
CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000485040421	564605878	/nfs/dbraw/zinc/60/58/78/564605878.db2.gz	KZCSCJTYYSHGKE-JTQLQIEISA-N	-2	1	378.834	2.806	20	5		GFBDML
O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C1CCC1)C1CCC1	ZINC000556778972	564840322	/nfs/dbraw/zinc/84/03/22/564840322.db2.gz	MUOABISPSSPHRQ-CQSZACIVSA-N	-2	1	388.467	2.604	20	5		GFBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1	ZINC000444419008	601605249	/nfs/dbraw/zinc/60/52/49/601605249.db2.gz	MMLGTMAIBBFTBO-UHFFFAOYSA-N	-2	1	394.390	2.545	20	5		GFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN(C)C(=O)[O-])c1	ZINC000740159437	602655575	/nfs/dbraw/zinc/65/55/75/602655575.db2.gz	NJMYWRHHNNVGKY-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776615947	656768050	/nfs/dbraw/zinc/76/80/50/656768050.db2.gz	NVDAELRVDFGGOU-NWDGAFQWSA-N	-2	1	390.845	2.950	20	5		GFBDML
CC1([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])CCCCC1	ZINC000548356163	564549799	/nfs/dbraw/zinc/54/97/99/564549799.db2.gz	IXPYPLREAXRNEV-ZDUSSCGKSA-N	-2	1	390.845	2.950	20	5		GFBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-]	ZINC000739541643	602243929	/nfs/dbraw/zinc/24/39/29/602243929.db2.gz	NGGQSZJBXTWUKL-UHFFFAOYSA-N	-2	1	391.405	2.999	20	5		GFBDML
CC(C)(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000818430166	660225723	/nfs/dbraw/zinc/22/57/23/660225723.db2.gz	DUHALMAKGJMMBP-UHFFFAOYSA-N	-2	1	385.225	2.681	20	5		GFBDML
C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000776627649	656771136	/nfs/dbraw/zinc/77/11/36/656771136.db2.gz	XDFVBFIXJOHZPV-BONVTDFDSA-N	-2	1	390.845	2.808	20	5		GFBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000794867017	658628767	/nfs/dbraw/zinc/62/87/67/658628767.db2.gz	RYDXQFSISLBKHD-UHFFFAOYSA-N	-2	1	385.785	2.638	20	5		GFBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000327237649	563457083	/nfs/dbraw/zinc/45/70/83/563457083.db2.gz	VJWBJJWRKPMKGH-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
CC[C@@]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736919506	600135288	/nfs/dbraw/zinc/13/52/88/600135288.db2.gz	AJHTXODKGGQTJF-INIZCTEOSA-N	-2	1	398.824	2.917	20	5		GFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000504687059	600611885	/nfs/dbraw/zinc/61/18/85/600611885.db2.gz	NJSLMFURUQHJDO-UHFFFAOYSA-N	-2	1	380.378	2.558	20	5		GFBDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1	ZINC000763416763	656082754	/nfs/dbraw/zinc/08/27/54/656082754.db2.gz	MQQUGIBQLGZACC-UHFFFAOYSA-N	-2	1	385.785	2.638	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776637036	656773074	/nfs/dbraw/zinc/77/30/74/656773074.db2.gz	YVUGXGMXLHWZSI-JSGCOSHPSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Cc1cccc2ccccc21	ZINC000739404608	600181075	/nfs/dbraw/zinc/18/10/75/600181075.db2.gz	YEDLTVGGTAULJS-AWEZNQCLSA-N	-2	1	395.371	2.522	20	5		GFBDML
O=C([O-])c1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000833300394	600814431	/nfs/dbraw/zinc/81/44/31/600814431.db2.gz	DHNGQPBUUXRVNU-UHFFFAOYSA-N	-2	1	393.315	2.920	20	5		GFBDML
O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1	ZINC000833205889	601265405	/nfs/dbraw/zinc/26/54/05/601265405.db2.gz	QIWHACYCQGDAEX-UHFFFAOYSA-N	-2	1	376.818	2.704	20	5		GFBDML
O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCC1	ZINC000853025055	661879017	/nfs/dbraw/zinc/87/90/17/661879017.db2.gz	SEDSQQYBMNCZAR-QMMMGPOBSA-N	-2	1	397.236	2.681	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000327702477	563459583	/nfs/dbraw/zinc/45/95/83/563459583.db2.gz	XNDKPLSJQADJTG-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000547901104	564518431	/nfs/dbraw/zinc/51/84/31/564518431.db2.gz	KSSZUEXXEJQQHL-MEBBXXQBSA-N	-2	1	390.845	2.808	20	5		GFBDML
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593944735	565369963	/nfs/dbraw/zinc/36/99/63/565369963.db2.gz	KPMPQLPZCXSVEW-LPEHRKFASA-N	-2	1	390.845	2.662	20	5		GFBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1	ZINC000484550805	600690609	/nfs/dbraw/zinc/69/06/09/600690609.db2.gz	YMWLSKDWERWGIY-UHFFFAOYSA-N	-2	1	376.390	2.973	20	5		GFBDML
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000833507041	605327377	/nfs/dbraw/zinc/32/73/77/605327377.db2.gz	XLPKTLHEJNEOTJ-UHFFFAOYSA-N	-2	1	380.378	2.881	20	5		GFBDML
O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000577831122	655468032	/nfs/dbraw/zinc/46/80/32/655468032.db2.gz	CNAVAQKZAHBUPE-ONGXEEELSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000846771387	661565265	/nfs/dbraw/zinc/56/52/65/661565265.db2.gz	IVOWQVWGJRXRIG-INTQDDNPSA-N	-2	1	390.845	2.662	20	5		GFBDML
O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCCC1	ZINC000739520273	599725046	/nfs/dbraw/zinc/72/50/46/599725046.db2.gz	QXRGJSLABFZXJK-UHFFFAOYSA-N	-2	1	376.818	2.704	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)cc1[N+](=O)[O-]	ZINC000740148392	602490909	/nfs/dbraw/zinc/49/09/09/602490909.db2.gz	VOPXDPQJGUENCO-UHFFFAOYSA-N	-2	1	391.405	2.740	20	5		GFBDML
C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289253	660982464	/nfs/dbraw/zinc/98/24/64/660982464.db2.gz	XPTGVJAWTJRMLU-DTWKUNHWSA-N	-2	1	396.824	2.945	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837290135	660982724	/nfs/dbraw/zinc/98/27/24/660982724.db2.gz	PBXONGTVTMXHEW-TZMCWYRMSA-N	-2	1	394.808	2.699	20	5		GFBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1	ZINC000776553449	656756766	/nfs/dbraw/zinc/75/67/66/656756766.db2.gz	WAKPZYVBZVBYAX-NSHDSACASA-N	-2	1	390.845	2.808	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	ZINC000603491922	565909683	/nfs/dbraw/zinc/90/96/83/565909683.db2.gz	ABOCDGODMHWTCT-VIFPVBQESA-N	-2	1	390.826	2.804	20	5		GFBDML
O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000837295887	660984511	/nfs/dbraw/zinc/98/45/11/660984511.db2.gz	LXEDLZIALHRIDM-JQWIXIFHSA-N	-2	1	390.845	2.950	20	5		GFBDML
C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])(CC(=O)[O-])C1	ZINC000776627651	656770884	/nfs/dbraw/zinc/77/08/84/656770884.db2.gz	XDFVBFIXJOHZPV-MEBBXXQBSA-N	-2	1	390.845	2.808	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776637034	656772904	/nfs/dbraw/zinc/77/29/04/656772904.db2.gz	YVUGXGMXLHWZSI-GXTWGEPZSA-N	-2	1	376.818	2.560	20	5		GFBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000392262866	563526285	/nfs/dbraw/zinc/52/62/85/563526285.db2.gz	SFBIXOWREAEERI-UHFFFAOYSA-N	-2	1	386.769	2.761	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl	ZINC000432174651	563576541	/nfs/dbraw/zinc/57/65/41/563576541.db2.gz	DJAMAMSFKGABAF-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547933399	564522736	/nfs/dbraw/zinc/52/27/36/564522736.db2.gz	RFNVWTQISHPNEF-CMPLNLGQSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000582829834	564863375	/nfs/dbraw/zinc/86/33/75/564863375.db2.gz	NRNMMGFCXDDCTH-ZYHUDNBSSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])CCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1	ZINC000739776596	600631319	/nfs/dbraw/zinc/63/13/19/600631319.db2.gz	FMVBIWSLXVEIMG-UHFFFAOYSA-N	-2	1	378.391	2.931	20	5		GFBDML
CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000818430661	660225743	/nfs/dbraw/zinc/22/57/43/660225743.db2.gz	LLAOLRUJAVWLIA-QMMMGPOBSA-N	-2	1	399.252	2.927	20	5		GFBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1	ZINC000157366498	655100491	/nfs/dbraw/zinc/10/04/91/655100491.db2.gz	ZFJSAZBVQZYBMX-UHFFFAOYSA-N	-2	1	388.199	2.567	20	5		GFBDML
O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776615948	656768460	/nfs/dbraw/zinc/76/84/60/656768460.db2.gz	NVDAELRVDFGGOU-RYUDHWBXSA-N	-2	1	390.845	2.950	20	5		GFBDML
CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000548205886	564536468	/nfs/dbraw/zinc/53/64/68/564536468.db2.gz	GGSLLPQUMQKVIJ-SECBINFHSA-N	-2	1	378.834	2.664	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000738306011	600301104	/nfs/dbraw/zinc/30/11/04/600301104.db2.gz	VQHHVXCUULEKSL-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833733080	605168017	/nfs/dbraw/zinc/16/80/17/605168017.db2.gz	DRJYPMSHTWZJFU-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820198191	607153176	/nfs/dbraw/zinc/15/31/76/607153176.db2.gz	SBWIGLDWFXRKSB-UHFFFAOYSA-N	-2	1	388.409	2.699	20	5		GFBDML
CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837289878	660982736	/nfs/dbraw/zinc/98/27/36/660982736.db2.gz	HCEJUKVIQPEZAI-UHFFFAOYSA-N	-2	1	382.797	2.557	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1	ZINC000776445900	656742653	/nfs/dbraw/zinc/74/26/53/656742653.db2.gz	ZBBOIEBHMXONIF-SNVBAGLBSA-N	-2	1	390.826	2.804	20	5		GFBDML
O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548556018	564559396	/nfs/dbraw/zinc/55/93/96/564559396.db2.gz	SVJMPWISJRTFTB-LLVKDONJSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC000548837106	564577811	/nfs/dbraw/zinc/57/78/11/564577811.db2.gz	JFAHULVIHCRJKA-OTYXRUKQSA-N	-2	1	376.818	2.560	20	5		GFBDML
O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000582829832	564863285	/nfs/dbraw/zinc/86/32/85/564863285.db2.gz	NRNMMGFCXDDCTH-JQWIXIFHSA-N	-2	1	390.845	2.950	20	5		GFBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000738665212	600301098	/nfs/dbraw/zinc/30/10/98/600301098.db2.gz	XOZPHSFGGJAUNG-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC[C@H]1C(=O)[O-]	ZINC000833570911	605246982	/nfs/dbraw/zinc/24/69/82/605246982.db2.gz	VLHKHAFCLSXLIP-HZMBPMFUSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000846768674	661564933	/nfs/dbraw/zinc/56/49/33/661564933.db2.gz	CAPBUQPZVPAKCV-ZETCQYMHSA-N	-2	1	385.225	2.537	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NC(=O)[O-]	ZINC000739925235	603420868	/nfs/dbraw/zinc/42/08/68/603420868.db2.gz	JJMBJLJPEWETCH-UHFFFAOYSA-N	-2	1	381.366	2.803	20	5		GFBDML
CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000818431338	660226046	/nfs/dbraw/zinc/22/60/46/660226046.db2.gz	SGWFEDNJYYCAQW-UHFFFAOYSA-N	-2	1	382.797	2.557	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1	ZINC000776477511	656745674	/nfs/dbraw/zinc/74/56/74/656745674.db2.gz	OJMQRFGZFKFFLC-NSHDSACASA-N	-2	1	390.826	2.804	20	5		GFBDML
CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000570994161	564530739	/nfs/dbraw/zinc/53/07/39/564530739.db2.gz	WIHDWLBSWFBSOM-ONGXEEELSA-N	-2	1	378.834	2.806	20	5		GFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-]	ZINC000740096422	602245649	/nfs/dbraw/zinc/24/56/49/602245649.db2.gz	FGEQNPADIQOJEV-UHFFFAOYSA-N	-2	1	377.378	2.745	20	5		GFBDML
CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000776614626	656767070	/nfs/dbraw/zinc/76/70/70/656767070.db2.gz	IVENYTFVXBDBEZ-JTQLQIEISA-N	-2	1	378.834	2.806	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1Cl	ZINC000327631630	563459269	/nfs/dbraw/zinc/45/92/69/563459269.db2.gz	QKOISQOGAWIXHA-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
C[C@H](c1ccccc1)n1ccc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000820571298	606720796	/nfs/dbraw/zinc/72/07/96/606720796.db2.gz	XRGQTKMQUVMRKH-LLVKDONJSA-N	-2	1	377.368	2.719	20	5		GFBDML
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1sccc1S(=O)(=O)C(F)F	ZINC000770856666	656332444	/nfs/dbraw/zinc/33/24/44/656332444.db2.gz	LCPDAIJLMHBVRH-UHFFFAOYSA-N	-2	1	378.334	2.611	20	5		GFBDML
CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000067952373	551190936	/nfs/dbraw/zinc/19/09/36/551190936.db2.gz	WTWDOGFJSXOHRS-UHFFFAOYSA-N	-2	1	385.785	2.713	20	5		GFBDML
CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)(F)F	ZINC000414399264	563733580	/nfs/dbraw/zinc/73/35/80/563733580.db2.gz	XIVQXKTXAOOTSJ-QMMMGPOBSA-N	-2	1	384.332	2.550	20	5		GFBDML
O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000547933402	564522596	/nfs/dbraw/zinc/52/25/96/564522596.db2.gz	RFNVWTQISHPNEF-ZYHUDNBSSA-N	-2	1	390.845	2.950	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000570994150	564530709	/nfs/dbraw/zinc/53/07/09/564530709.db2.gz	SKTAEVSVDONSIL-RISCZKNCSA-N	-2	1	376.818	2.560	20	5		GFBDML
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000531430233	600690853	/nfs/dbraw/zinc/69/08/53/600690853.db2.gz	HQOHETAILBGXLX-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000776615949	656768209	/nfs/dbraw/zinc/76/82/09/656768209.db2.gz	NVDAELRVDFGGOU-VXGBXAGGSA-N	-2	1	390.845	2.950	20	5		GFBDML
O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000863417354	662329121	/nfs/dbraw/zinc/32/91/21/662329121.db2.gz	UHBBBCCXPKXYFX-MNOVXSKESA-N	-2	1	376.818	2.560	20	5		GFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)ccc1[O-]	ZINC000511208049	564362297	/nfs/dbraw/zinc/36/22/97/564362297.db2.gz	IWMIUXJWEKPOFO-UHFFFAOYSA-N	-2	1	378.391	2.620	20	5		GFBDML
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000593944734	565369731	/nfs/dbraw/zinc/36/97/31/565369731.db2.gz	KPMPQLPZCXSVEW-KXUCPTDWSA-N	-2	1	390.845	2.662	20	5		GFBDML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	ZINC000603491921	565909098	/nfs/dbraw/zinc/90/90/98/565909098.db2.gz	ABOCDGODMHWTCT-SECBINFHSA-N	-2	1	390.826	2.804	20	5		GFBDML
O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000740002578	600303787	/nfs/dbraw/zinc/30/37/87/600303787.db2.gz	WFHZCRQQTHCISQ-UHFFFAOYSA-N	-2	1	385.785	2.817	20	5		GFBDML
C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000776613762	601225269	/nfs/dbraw/zinc/22/52/69/601225269.db2.gz	GRRKOVGAFPPPIX-BONVTDFDSA-N	-2	1	398.824	2.989	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000762445323	602315597	/nfs/dbraw/zinc/31/55/97/602315597.db2.gz	TXFUVJGVVNSQDD-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000769629786	656283087	/nfs/dbraw/zinc/28/30/87/656283087.db2.gz	GBYVNCDVCSLJAR-UHFFFAOYSA-N	-2	1	384.797	2.985	20	5		GFBDML
CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432188900	563576652	/nfs/dbraw/zinc/57/66/52/563576652.db2.gz	YZLBXHWWFHCDRN-UHFFFAOYSA-N	-2	1	382.419	2.957	20	5		GFBDML
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000484545197	600690844	/nfs/dbraw/zinc/69/08/44/600690844.db2.gz	WAINEGIRCQYNHU-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-]	ZINC000740048439	602245544	/nfs/dbraw/zinc/24/55/44/602245544.db2.gz	HFSGKKCYIGPJOP-UHFFFAOYSA-N	-2	1	377.378	2.745	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1	ZINC000577478902	655460734	/nfs/dbraw/zinc/46/07/34/655460734.db2.gz	GBHHWKHVXHVKDI-JTQLQIEISA-N	-2	1	390.826	2.804	20	5		GFBDML
CC(C)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000841776611	661312189	/nfs/dbraw/zinc/31/21/89/661312189.db2.gz	UMIPPNQSGUCQBL-VIFPVBQESA-N	-2	1	385.225	2.679	20	5		GFBDML
C[C@H]1CCC[C@]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(=O)[O-])C1	ZINC000548837105	564577512	/nfs/dbraw/zinc/57/75/12/564577512.db2.gz	JFAHULVIHCRJKA-LKFCYVNXSA-N	-2	1	376.818	2.560	20	5		GFBDML
C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000776613763	601225166	/nfs/dbraw/zinc/22/51/66/601225166.db2.gz	GRRKOVGAFPPPIX-MEBBXXQBSA-N	-2	1	398.824	2.989	20	5		GFBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC000846769443	661565444	/nfs/dbraw/zinc/56/54/44/661565444.db2.gz	LEBBYGSEEWUFEA-SSDOTTSWSA-N	-2	1	385.225	2.537	20	5		GFBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1	ZINC000431180962	563555848	/nfs/dbraw/zinc/55/58/48/563555848.db2.gz	IQJFDNIMBIWVCA-UHFFFAOYSA-N	-2	1	376.268	2.511	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl	ZINC000484538839	564590114	/nfs/dbraw/zinc/59/01/14/564590114.db2.gz	KQHVEDCHXCSBLQ-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])c1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cccc1[N+](=O)[O-]	ZINC000551996067	564671389	/nfs/dbraw/zinc/67/13/89/564671389.db2.gz	IZFSPXHWGVLSMI-UHFFFAOYSA-N	-2	1	384.797	2.931	20	5		GFBDML
Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738569060	600170202	/nfs/dbraw/zinc/17/02/02/600170202.db2.gz	CDXVVYYHJZNYJP-ZDUSSCGKSA-N	-2	1	398.824	2.703	20	5		GFBDML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000530952471	600690870	/nfs/dbraw/zinc/69/08/70/600690870.db2.gz	UZXNZYYCXWJFPL-UHFFFAOYSA-N	-2	1	380.378	2.801	20	5		GFBDML
O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837291618	660983393	/nfs/dbraw/zinc/98/33/93/660983393.db2.gz	NJCQPRWXMKGUAO-KWQFWETISA-N	-2	1	394.808	2.699	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000736420600	655663346	/nfs/dbraw/zinc/66/33/46/655663346.db2.gz	LKJBERLUVXTUJN-UHFFFAOYSA-N	-2	1	387.757	2.971	20	5		GFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1Cl	ZINC000759094861	655947327	/nfs/dbraw/zinc/94/73/27/655947327.db2.gz	NUFRMVHIGAWZPK-UHFFFAOYSA-N	-2	1	385.785	2.638	20	5		GFBDML
Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000509391954	564295629	/nfs/dbraw/zinc/29/56/29/564295629.db2.gz	MARHFDRAVUJREA-UHFFFAOYSA-N	-2	1	377.300	2.823	20	5		GFBDML
C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000570994151	564530513	/nfs/dbraw/zinc/53/05/13/564530513.db2.gz	SKTAEVSVDONSIL-SMDDNHRTSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000517974956	564544068	/nfs/dbraw/zinc/54/40/68/564544068.db2.gz	AHZBMGQBKWEQIN-UHFFFAOYSA-N	-2	1	385.785	2.713	20	5		GFBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1	ZINC000739666591	599981004	/nfs/dbraw/zinc/98/10/04/599981004.db2.gz	QEBGFOKXCNCNLX-CYBMUJFWSA-N	-2	1	382.369	2.618	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738654458	600301520	/nfs/dbraw/zinc/30/15/20/600301520.db2.gz	ADPODRSYYBPJDA-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000833733064	605167768	/nfs/dbraw/zinc/16/77/68/605167768.db2.gz	BWSKSTFSISQGPJ-WTKPLQERSA-N	-2	1	378.362	2.502	20	5		GFBDML
CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])ccc2O1	ZINC000833562760	605330804	/nfs/dbraw/zinc/33/08/04/605330804.db2.gz	YMQRSRFZALJPOL-UHFFFAOYSA-N	-2	1	392.389	2.807	20	5		GFBDML
CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000818430660	660225731	/nfs/dbraw/zinc/22/57/31/660225731.db2.gz	LLAOLRUJAVWLIA-MRVPVSSYSA-N	-2	1	399.252	2.927	20	5		GFBDML
O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1	ZINC000853025402	661879033	/nfs/dbraw/zinc/87/90/33/661879033.db2.gz	ZYQOTRTTXNUMAG-MRVPVSSYSA-N	-2	1	397.236	2.681	20	5		GFBDML
CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000570994159	564530905	/nfs/dbraw/zinc/53/09/05/564530905.db2.gz	WIHDWLBSWFBSOM-KOLCDFICSA-N	-2	1	378.834	2.806	20	5		GFBDML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000738563742	599723497	/nfs/dbraw/zinc/72/34/97/599723497.db2.gz	YUIABDXFGKAXGE-LBPRGKRZSA-N	-2	1	384.797	2.743	20	5		GFBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000740147939	602655692	/nfs/dbraw/zinc/65/56/92/602655692.db2.gz	QPUSMQXSAKJSMM-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CN(C)C(=O)[O-])c1	ZINC000740049935	602655736	/nfs/dbraw/zinc/65/57/36/602655736.db2.gz	QVGKXBLQNXQNEO-UHFFFAOYSA-N	-2	1	379.394	2.814	20	5		GFBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1-c1nn[n-]n1	ZINC000823647909	607155908	/nfs/dbraw/zinc/15/59/08/607155908.db2.gz	PTNXJKFUNHOPFI-UHFFFAOYSA-N	-2	1	396.335	2.513	20	5		GFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)ccc1[O-]	ZINC000024429790	654544273	/nfs/dbraw/zinc/54/42/73/654544273.db2.gz	CMIOPBXDSXXCMV-UHFFFAOYSA-N	-2	1	378.284	3.000	20	5		GFBDML
O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000837295891	660984392	/nfs/dbraw/zinc/98/43/92/660984392.db2.gz	LXEDLZIALHRIDM-PWSUYJOCSA-N	-2	1	390.845	2.950	20	5		GFBDML
CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000539118657	605005722	/nfs/dbraw/zinc/00/57/22/605005722.db2.gz	VFESCYOUAWKPOA-UHFFFAOYSA-N	-2	1	380.378	2.881	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000833734685	605013423	/nfs/dbraw/zinc/01/34/23/605013423.db2.gz	SSZYOVJBKRCXQM-UHFFFAOYSA-N	-2	1	380.378	2.719	20	5		GFBDML
COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1[N+](=O)[O-]	ZINC000833733251	605167863	/nfs/dbraw/zinc/16/78/63/605167863.db2.gz	JRBDQVGWSNCJGH-UHFFFAOYSA-N	-2	1	392.389	2.520	20	5		GFBDML
C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000570994149	564530700	/nfs/dbraw/zinc/53/07/00/564530700.db2.gz	SKTAEVSVDONSIL-FZMZJTMJSA-N	-2	1	376.818	2.560	20	5		GFBDML
CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548596601	564565413	/nfs/dbraw/zinc/56/54/13/564565413.db2.gz	OZCMHUTUJBBTFU-SECBINFHSA-N	-2	1	378.834	2.806	20	5		GFBDML
Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738570792	600170696	/nfs/dbraw/zinc/17/06/96/600170696.db2.gz	WEQOVMMEIGLXMM-LBPRGKRZSA-N	-2	1	398.824	2.703	20	5		GFBDML
O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000740024207	600447346	/nfs/dbraw/zinc/44/73/46/600447346.db2.gz	AYIWZALGZBVIQR-UHFFFAOYSA-N	-2	1	399.812	2.859	20	5		GFBDML
COc1cc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)ccc1[N+](=O)[O-]	ZINC000829217428	604300824	/nfs/dbraw/zinc/30/08/24/604300824.db2.gz	QQAPZGOOMRZXGK-UHFFFAOYSA-N	-2	1	385.329	2.633	20	5		GFBDML
C[C@H](CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000833516676	605036787	/nfs/dbraw/zinc/03/67/87/605036787.db2.gz	SAUXYNWZOICHMR-GFCCVEGCSA-N	-2	1	393.421	2.553	20	5		GFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1	ZINC000833744457	605289307	/nfs/dbraw/zinc/28/93/07/605289307.db2.gz	AUDSXRHCFVDUSP-UHFFFAOYSA-N	-2	1	383.357	2.611	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000769631813	656283277	/nfs/dbraw/zinc/28/32/77/656283277.db2.gz	YYMZHIOFMIGVEZ-UHFFFAOYSA-N	-2	1	386.769	2.761	20	5		GFBDML
CC(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000841776710	661312322	/nfs/dbraw/zinc/31/23/22/661312322.db2.gz	YOIAHIDLCYCAAJ-QMMMGPOBSA-N	-2	1	385.225	2.679	20	5		GFBDML
CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000846768673	661564944	/nfs/dbraw/zinc/56/49/44/661564944.db2.gz	CAPBUQPZVPAKCV-SSDOTTSWSA-N	-2	1	385.225	2.537	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000327426289	563457806	/nfs/dbraw/zinc/45/78/06/563457806.db2.gz	NJHWIPHWOVCRAR-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)ccc1[O-]	ZINC000439260350	563721447	/nfs/dbraw/zinc/72/14/47/563721447.db2.gz	OOJJDNVOWHZQRU-UHFFFAOYSA-N	-2	1	378.391	2.620	20	5		GFBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1C	ZINC000738483417	600303017	/nfs/dbraw/zinc/30/30/17/600303017.db2.gz	ZDLGHQYVKQQOQY-UHFFFAOYSA-N	-2	1	379.394	2.780	20	5		GFBDML
CCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821142131	607153604	/nfs/dbraw/zinc/15/36/04/607153604.db2.gz	FBXVGBUZONCGPX-UHFFFAOYSA-N	-2	1	388.409	2.528	20	5		GFBDML
Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000776502015	656748947	/nfs/dbraw/zinc/74/89/47/656748947.db2.gz	YSHRIAZBRAYLHD-CQSZACIVSA-N	-2	1	384.797	2.661	20	5		GFBDML
Cc1cc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl	ZINC000776550734	656755968	/nfs/dbraw/zinc/75/59/68/656755968.db2.gz	CFCJTPKUUIGIJX-LBPRGKRZSA-N	-2	1	390.826	2.722	20	5		GFBDML
O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000582829833	564863440	/nfs/dbraw/zinc/86/34/40/564863440.db2.gz	NRNMMGFCXDDCTH-PWSUYJOCSA-N	-2	1	390.845	2.950	20	5		GFBDML
CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])C(F)(F)F	ZINC000833425098	605403494	/nfs/dbraw/zinc/40/34/94/605403494.db2.gz	UTBLYANHCQSVMY-LLVKDONJSA-N	-2	1	398.359	2.938	20	5		GFBDML
CC1([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)[O-])CCCCC1	ZINC000548356162	564549847	/nfs/dbraw/zinc/54/98/47/564549847.db2.gz	IXPYPLREAXRNEV-CYBMUJFWSA-N	-2	1	390.845	2.950	20	5		GFBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000738399541	600245409	/nfs/dbraw/zinc/24/54/09/600245409.db2.gz	MTJJLLOUIOJYSQ-UHFFFAOYSA-N	-2	1	386.769	2.761	20	5		GFBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000738477049	600612983	/nfs/dbraw/zinc/61/29/83/600612983.db2.gz	CTMJIDLFTRYUET-UHFFFAOYSA-N	-2	1	394.405	2.948	20	5		GFBDML
C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000776613759	601225308	/nfs/dbraw/zinc/22/53/08/601225308.db2.gz	GRRKOVGAFPPPIX-BMIGLBTASA-N	-2	1	398.824	2.989	20	5		GFBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1	ZINC000833744658	605289426	/nfs/dbraw/zinc/28/94/26/605289426.db2.gz	GUZBWYGYVWIPOA-UHFFFAOYSA-N	-2	1	382.369	2.860	20	5		GFBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1-c1nnn[n-]1	ZINC000823647109	607154259	/nfs/dbraw/zinc/15/42/59/607154259.db2.gz	GAERXMGJPOERKF-UHFFFAOYSA-N	-2	1	396.388	2.729	20	5		GFBDML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1-c1nn[n-]n1	ZINC000823647109	607154260	/nfs/dbraw/zinc/15/42/60/607154260.db2.gz	GAERXMGJPOERKF-UHFFFAOYSA-N	-2	1	396.388	2.729	20	5		GFBDML
C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000837294393	660984145	/nfs/dbraw/zinc/98/41/45/660984145.db2.gz	UVHLMWZUYKLZSK-ZETCQYMHSA-N	-2	1	382.797	2.555	20	5		GFBDML
O=C([O-])C1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000841780128	661312785	/nfs/dbraw/zinc/31/27/85/661312785.db2.gz	IAMXJVRICIHLHV-UHFFFAOYSA-N	-2	1	397.236	2.823	20	5		GFBDML
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000393115815	563528613	/nfs/dbraw/zinc/52/86/13/563528613.db2.gz	LNHXUBLJEOHCLA-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
CC[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CC(F)(F)F	ZINC000515303854	564474824	/nfs/dbraw/zinc/47/48/24/564474824.db2.gz	BRXZQAGYWJKJMQ-MRVPVSSYSA-N	-2	1	384.332	2.550	20	5		GFBDML
CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000547889417	564516874	/nfs/dbraw/zinc/51/68/74/564516874.db2.gz	IOGSGNYFQCWUFI-JTQLQIEISA-N	-2	1	378.834	2.664	20	5		GFBDML
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Cl	ZINC000548553781	564559405	/nfs/dbraw/zinc/55/94/05/564559405.db2.gz	GTXACCJZOBODDI-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c([N+](=O)[O-])c1	ZINC000833323318	602308644	/nfs/dbraw/zinc/30/86/44/602308644.db2.gz	BWWFPLSETMITEU-UHFFFAOYSA-N	-2	1	394.409	2.865	20	5		GFBDML
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000327569837	563458800	/nfs/dbraw/zinc/45/88/00/563458800.db2.gz	VVSBQIIVZKSIAV-UHFFFAOYSA-N	-2	1	386.769	2.756	20	5		GFBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1	ZINC000738478728	600489257	/nfs/dbraw/zinc/48/92/57/600489257.db2.gz	KEEWNPKTCVUYEW-UHFFFAOYSA-N	-2	1	394.405	2.948	20	5		GFBDML
O=C([O-])CCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000841777481	661312632	/nfs/dbraw/zinc/31/26/32/661312632.db2.gz	FBAYOXGAAJJEQS-UHFFFAOYSA-N	-2	1	385.225	2.825	20	5		GFBDML