smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769601759	874188545	/nfs/dbraw/zinc/18/85/45/874188545.db2.gz	KKCNFQICNDHQID-WFASDCNBSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769931484	874373198	/nfs/dbraw/zinc/37/31/98/874373198.db2.gz	JEGKRASIEGIYHW-OCCSQVGLSA-N	-2	1	394.518	3.515	20	10		GHCDML
C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000179541457	877694220	/nfs/dbraw/zinc/69/42/20/877694220.db2.gz	QZPPEQGXDDXQCO-STQMWFEESA-N	-2	1	394.518	3.658	20	10		GHCDML
Cc1cccc(-c2nnc(-c3cc([O-])c4c(c3)C(=O)c3cccc(O)c3C4=O)o2)c1	ZINC001253629079	1039735907	/nfs/dbraw/zinc/73/59/07/1039735907.db2.gz	YEJAGLVEFQVWIF-UHFFFAOYSA-N	-2	1	398.374	3.899	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)nc1Cl	ZINC001347759119	1062633403	/nfs/dbraw/zinc/63/34/03/1062633403.db2.gz	KNGAQRQQDMJAFV-UHFFFAOYSA-N	-2	1	387.166	3.914	20	10		GHCDML
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000317991404	835380017	/nfs/dbraw/zinc/38/00/17/835380017.db2.gz	SEGCAJBADCOYPK-UHFFFAOYSA-N	-2	1	382.246	3.568	20	10		GHCDML
C[C@@H](N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1(C)CC1	ZINC000179769577	835975182	/nfs/dbraw/zinc/97/51/82/835975182.db2.gz	HZXSFRHNWOVHCK-GFCCVEGCSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC1(C)CC[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000768888147	873649085	/nfs/dbraw/zinc/64/90/85/873649085.db2.gz	KMAXRGLHPIQXJS-ZDUSSCGKSA-N	-2	1	394.518	3.563	20	10		GHCDML
C[C@H]1CCC[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000748025538	894173988	/nfs/dbraw/zinc/17/39/88/894173988.db2.gz	SURFKEBPEOYFMU-STQMWFEESA-N	-2	1	394.518	3.563	20	10		GHCDML
C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1	ZINC001589512816	987152771	/nfs/dbraw/zinc/15/27/71/987152771.db2.gz	WZELBPYSXHSCOB-SNVBAGLBSA-N	-2	1	393.237	3.665	20	10		GHCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000832900183	601492770	/nfs/dbraw/zinc/49/27/70/601492770.db2.gz	RWFBYSBLIOWBNW-UHFFFAOYSA-N	-2	1	383.853	3.976	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(Br)cc1F	ZINC000161867081	834988141	/nfs/dbraw/zinc/98/81/41/834988141.db2.gz	TUOOWWVHVVJSSN-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
C[C@H](N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)(C)C	ZINC000769667656	874223591	/nfs/dbraw/zinc/22/35/91/874223591.db2.gz	QMDBAWAFQZRYJO-LBPRGKRZSA-N	-2	1	396.534	3.761	20	10		GHCDML
CC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCCCC1	ZINC000769717694	874250550	/nfs/dbraw/zinc/25/05/50/874250550.db2.gz	XQQJBZFMBGJVKA-UHFFFAOYSA-N	-2	1	394.518	3.707	20	10		GHCDML
Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])cc1	ZINC000748010421	894023342	/nfs/dbraw/zinc/02/33/42/894023342.db2.gz	OCPPSWVNURZSJA-UHFFFAOYSA-N	-2	1	388.470	3.815	20	10		GHCDML
O=C([O-])c1c(F)ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1F	ZINC001215278984	1029129489	/nfs/dbraw/zinc/12/94/89/1029129489.db2.gz	UEOQXLQZAPFFRL-UHFFFAOYSA-N	-2	1	395.317	3.888	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)ccc1C(=O)[O-]	ZINC000832904236	600984373	/nfs/dbraw/zinc/98/43/73/600984373.db2.gz	AVTMSEMIRCAYPZ-UHFFFAOYSA-N	-2	1	388.489	3.730	20	10		GHCDML
CCCC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000760150528	882568022	/nfs/dbraw/zinc/56/80/22/882568022.db2.gz	TXQCONCWTTTZMM-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000179541448	877694397	/nfs/dbraw/zinc/69/43/97/877694397.db2.gz	QZPPEQGXDDXQCO-BETUJISGSA-N	-2	1	394.518	3.658	20	10		GHCDML
C[C@@H]1CC[C@H](C)N(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000179673246	877824755	/nfs/dbraw/zinc/82/47/55/877824755.db2.gz	GIBAITKPEMVHEJ-OLZOCXBDSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2)cs1	ZINC000753020424	929160543	/nfs/dbraw/zinc/16/05/43/929160543.db2.gz	RMMAGAKFCWBXQI-UHFFFAOYSA-N	-2	1	382.413	3.903	20	10		GHCDML
CC1CCN(c2cccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2)CC1	ZINC000736803445	600658858	/nfs/dbraw/zinc/65/88/58/600658858.db2.gz	VXMCWHFRJUVBNP-UHFFFAOYSA-N	-2	1	392.452	3.561	20	10		GHCDML
COc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc(C(=O)[O-])c1	ZINC001213594583	1028285133	/nfs/dbraw/zinc/28/51/33/1028285133.db2.gz	CQIZCLOBVZQUQE-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
C[C@H]1CCCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769859701	874307320	/nfs/dbraw/zinc/30/73/20/874307320.db2.gz	SMZWJGYNQUGNCI-ZDUSSCGKSA-N	-2	1	394.518	3.659	20	10		GHCDML
O=C1c2ccccc2C(=O)c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)c([O-])cc21	ZINC001201221553	875585530	/nfs/dbraw/zinc/58/55/30/875585530.db2.gz	ANUDDIDAIPCVSM-UHFFFAOYSA-N	-2	1	376.324	3.525	20	10		GHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccccc1Br	ZINC000808115631	886027106	/nfs/dbraw/zinc/02/71/06/886027106.db2.gz	MALOIIMGFSOIEO-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1[N+](=O)[O-]	ZINC000808114407	886027151	/nfs/dbraw/zinc/02/71/51/886027151.db2.gz	WUUBHFOHBDJIKD-UHFFFAOYSA-N	-2	1	395.195	3.856	20	10		GHCDML
O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(Br)cc1Cl	ZINC001184806230	913417067	/nfs/dbraw/zinc/41/70/67/913417067.db2.gz	FLIICDUDKDLMKD-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
Nc1nc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])ccc2s1	ZINC001237817662	1042384461	/nfs/dbraw/zinc/38/44/61/1042384461.db2.gz	QKWDADPBBJIFJL-UHFFFAOYSA-N	-2	1	390.273	3.692	20	10		GHCDML
C[C@@H](N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)(C)C	ZINC000769667653	874223460	/nfs/dbraw/zinc/22/34/60/874223460.db2.gz	QMDBAWAFQZRYJO-GFCCVEGCSA-N	-2	1	396.534	3.761	20	10		GHCDML
Cc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093900263	912507559	/nfs/dbraw/zinc/50/75/59/912507559.db2.gz	LCHFVZGRFAKLHB-UHFFFAOYSA-N	-2	1	388.470	3.815	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1c(F)cccc1OC(F)(F)F	ZINC000808105162	886019001	/nfs/dbraw/zinc/01/90/01/886019001.db2.gz	YMZXDDBIHJZJEX-UHFFFAOYSA-N	-2	1	385.722	3.884	20	10		GHCDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1Cl	ZINC000808115449	886026096	/nfs/dbraw/zinc/02/60/96/886026096.db2.gz	DVQUNGBUJBVIIU-UHFFFAOYSA-N	-3	1	394.207	3.646	20	10		GHCDML
C[C@@H]1CCC[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000748025126	894176978	/nfs/dbraw/zinc/17/69/78/894176978.db2.gz	SURFKEBPEOYFMU-OLZOCXBDSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(Br)c1F	ZINC000799124586	932883102	/nfs/dbraw/zinc/88/31/02/932883102.db2.gz	VBLCIVPHMGAYTO-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
Cc1cc(Br)c(O)c(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1	ZINC001594269909	959790026	/nfs/dbraw/zinc/79/00/26/959790026.db2.gz	DLNGTNQVFCCPTE-OAHLLOKOSA-N	-2	1	376.250	3.647	20	10		GHCDML
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(NC(=O)[O-])cc1[O-]	ZINC000739710469	602842353	/nfs/dbraw/zinc/84/23/53/602842353.db2.gz	UWLXWCUAXIHVGF-UHFFFAOYSA-N	-2	1	383.448	3.745	20	10		GHCDML
C[C@H](CCC1CC1)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769641517	874183326	/nfs/dbraw/zinc/18/33/26/874183326.db2.gz	AHPSZZFHKZMENQ-GFCCVEGCSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769931482	874373815	/nfs/dbraw/zinc/37/38/15/874373815.db2.gz	JEGKRASIEGIYHW-GXTWGEPZSA-N	-2	1	394.518	3.515	20	10		GHCDML
C[C@@H]1CCC[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000748025124	894177413	/nfs/dbraw/zinc/17/74/13/894177413.db2.gz	SURFKEBPEOYFMU-CHWSQXEVSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C([O-])c1cccc(N2C(=O)/C(=C/c3cc(F)c([O-])c(F)c3)SC2=S)c1	ZINC000749886386	1047850509	/nfs/dbraw/zinc/85/05/09/1047850509.db2.gz	MGGVZTYNXVTXHU-MLPAPPSSSA-N	-2	1	393.392	3.774	20	10		GHCDML
O=C([O-])Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c([O-])c1	ZINC000834257587	605655935	/nfs/dbraw/zinc/65/59/35/605655935.db2.gz	VSFBTGYOAUEYKD-UHFFFAOYSA-N	-2	1	382.372	3.623	20	10		GHCDML
O=C(Nc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176992369	835436038	/nfs/dbraw/zinc/43/60/38/835436038.db2.gz	AOUNRWCYEIFXEE-UHFFFAOYSA-N	-2	1	392.433	3.646	20	10		GHCDML
CCCC[C@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000794194455	882618846	/nfs/dbraw/zinc/61/88/46/882618846.db2.gz	PHOMFKPRKIAPMK-ZDUSSCGKSA-N	-2	1	396.534	3.905	20	10		GHCDML
CCCC[C@@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000794194453	882619153	/nfs/dbraw/zinc/61/91/53/882619153.db2.gz	PHOMFKPRKIAPMK-CYBMUJFWSA-N	-2	1	396.534	3.905	20	10		GHCDML
CC(C)N(CC1CC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769685791	874208029	/nfs/dbraw/zinc/20/80/29/874208029.db2.gz	NUQWVTKKOMYYFL-UHFFFAOYSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C/c2cc(F)cc(F)c2[O-])SC1=S	ZINC000887275738	901717186	/nfs/dbraw/zinc/71/71/86/901717186.db2.gz	PHTMKHKGUPSJJR-GHXNOFRVSA-N	-2	1	387.429	3.517	20	10		GHCDML
C[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC000091743784	911250949	/nfs/dbraw/zinc/25/09/49/911250949.db2.gz	XPHINGYAKJOVAU-OLZOCXBDSA-N	-2	1	394.518	3.515	20	10		GHCDML
CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2s1	ZINC000753015881	929159254	/nfs/dbraw/zinc/15/92/54/929159254.db2.gz	HHVVSUJENPRCIU-UHFFFAOYSA-N	-2	1	388.442	3.803	20	10		GHCDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)c2ccccc2)c1	ZINC001260228540	1045420290	/nfs/dbraw/zinc/42/02/90/1045420290.db2.gz	JXXARZSZYXDFMR-UHFFFAOYSA-N	-2	1	395.436	3.725	20	10		GHCDML
Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c1C(=O)[O-]	ZINC000738743884	600659951	/nfs/dbraw/zinc/65/99/51/600659951.db2.gz	FYDTYHQZSCGGBK-UHFFFAOYSA-N	-2	1	388.489	3.730	20	10		GHCDML
CC[C@@H](C)CN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000131146622	897336949	/nfs/dbraw/zinc/33/69/49/897336949.db2.gz	FXVBLALWGDQPTP-CYBMUJFWSA-N	-2	1	396.534	3.763	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cc2c(s1)CCCC2	ZINC001187207005	915117787	/nfs/dbraw/zinc/11/77/87/915117787.db2.gz	PHTDELVDAQAUCI-UHFFFAOYSA-N	-2	1	388.308	3.896	20	10		GHCDML
CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000325794509	839160305	/nfs/dbraw/zinc/16/03/05/839160305.db2.gz	ZNPCERIKGIMBIL-UHFFFAOYSA-N	-3	1	390.244	3.760	20	10		GHCDML
CCC(C)(CC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769839833	874319635	/nfs/dbraw/zinc/31/96/35/874319635.db2.gz	OIDCDJFTRDMYJW-UHFFFAOYSA-N	-2	1	382.507	3.563	20	10		GHCDML
Cc1nc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc4ccccc4s3)c2)c[nH]1	ZINC000776744310	879826847	/nfs/dbraw/zinc/82/68/47/879826847.db2.gz	ROFWYYSKIYBVSB-UHFFFAOYSA-N	-2	1	386.458	3.501	20	10		GHCDML
C[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC000091743785	911250353	/nfs/dbraw/zinc/25/03/53/911250353.db2.gz	XPHINGYAKJOVAU-STQMWFEESA-N	-2	1	394.518	3.515	20	10		GHCDML
CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3cccc(Cl)c3[O-])n2)cc1	ZINC001472316686	1073417000	/nfs/dbraw/zinc/41/70/00/1073417000.db2.gz	CWNFMRUBHNGVJK-UHFFFAOYSA-N	-2	1	385.851	3.990	20	10		GHCDML
O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748837	879923336	/nfs/dbraw/zinc/92/33/36/879923336.db2.gz	KVZOHKOGAYKLBH-UHFFFAOYSA-N	-3	1	396.635	3.851	20	10		GHCDML
CC[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@@H]1C	ZINC001154791951	1032284968	/nfs/dbraw/zinc/28/49/68/1032284968.db2.gz	HEJPXCODLUQLBM-OLZOCXBDSA-N	-2	1	394.518	3.515	20	10		GHCDML
COc1ccc(C(=O)[O-])cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O	ZINC001210258889	1027408268	/nfs/dbraw/zinc/40/82/68/1027408268.db2.gz	MRDBQQCXWKDPEH-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
C[C@@H]1CCCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000186455848	856234228	/nfs/dbraw/zinc/23/42/28/856234228.db2.gz	HYOWSOBQVGSXSQ-CYBMUJFWSA-N	-2	1	394.518	3.517	20	10		GHCDML
O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1cc(F)cc(F)c1[O-]	ZINC000821185403	897753290	/nfs/dbraw/zinc/75/32/90/897753290.db2.gz	ODGGECPHUBPGSN-UHFFFAOYSA-N	-2	1	381.322	3.966	20	10		GHCDML
O=C(NCCCCC1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001454768625	1061934563	/nfs/dbraw/zinc/93/45/63/1061934563.db2.gz	HNPZLNIOCSUZFC-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000792703270	881628707	/nfs/dbraw/zinc/62/87/07/881628707.db2.gz	SIKDBXGZHVQZTQ-UHFFFAOYSA-N	-2	1	387.866	3.575	20	10		GHCDML
C[C@@H](CC1CCC1)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001169251080	871349175	/nfs/dbraw/zinc/34/91/75/871349175.db2.gz	MIAWZPWZUSOJNM-LBPRGKRZSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C([O-])c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1F	ZINC001175159481	907386737	/nfs/dbraw/zinc/38/67/37/907386737.db2.gz	DPWBAOPSYIMWCY-UHFFFAOYSA-N	-2	1	377.327	3.749	20	10		GHCDML
O=C(Nc1ccc(F)c(Br)c1[O-])c1ccc(O)c([O-])c1Cl	ZINC001193229108	870990432	/nfs/dbraw/zinc/99/04/32/870990432.db2.gz	FAWHQUYVTICZPV-UHFFFAOYSA-N	-2	1	376.565	3.611	20	10		GHCDML
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C	ZINC001201798930	875865614	/nfs/dbraw/zinc/86/56/14/875865614.db2.gz	DLFZOPCWYAUHTJ-UHFFFAOYSA-N	-2	1	395.452	3.661	20	10		GHCDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1(C)CCCC1	ZINC000787856676	877696599	/nfs/dbraw/zinc/69/65/99/877696599.db2.gz	APXKPLCLQVMIEX-UHFFFAOYSA-N	-2	1	394.518	3.659	20	10		GHCDML
CC[C@@H]1CCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093900116	912508754	/nfs/dbraw/zinc/50/87/54/912508754.db2.gz	RZGFTSYSLQSAMH-CQSZACIVSA-N	-2	1	394.518	3.659	20	10		GHCDML
CC[C@H]1[C@H](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000187447779	893033447	/nfs/dbraw/zinc/03/34/47/893033447.db2.gz	SSQATUHRXMGKQN-DOMZBBRYSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1C(=O)[O-]	ZINC000323735975	851081200	/nfs/dbraw/zinc/08/12/00/851081200.db2.gz	OKTCGTLGCGRBBY-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
CCCN(CC(C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769674360	874225890	/nfs/dbraw/zinc/22/58/90/874225890.db2.gz	NFIHJCZLBFSEFO-UHFFFAOYSA-N	-2	1	396.534	3.763	20	10		GHCDML
CC[C@@H]1CCC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769977473	874384212	/nfs/dbraw/zinc/38/42/12/874384212.db2.gz	PDKRGLUCUBYMEQ-IUODEOHRSA-N	-2	1	394.518	3.563	20	10		GHCDML
CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CCCC1	ZINC000094015378	901582906	/nfs/dbraw/zinc/58/29/06/901582906.db2.gz	NFOYHPBPQWHMNH-UHFFFAOYSA-N	-2	1	394.518	3.659	20	10		GHCDML
O=C(NCCCC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001147791773	903877142	/nfs/dbraw/zinc/87/71/42/903877142.db2.gz	AXVHOUCMRYWGBI-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
CN(CC1CCCC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177126511	906043066	/nfs/dbraw/zinc/04/30/66/906043066.db2.gz	SKNCQOMVDUIFJY-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000392395158	972479400	/nfs/dbraw/zinc/47/94/00/972479400.db2.gz	RLSCWBNXDTVHQW-UTCJRWHESA-N	-3	1	388.228	3.598	20	10		GHCDML
COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776749004	879917762	/nfs/dbraw/zinc/91/77/62/879917762.db2.gz	UCCNAQSNKWEADP-UHFFFAOYSA-N	-2	1	397.861	3.848	20	10		GHCDML
O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1cc(F)c(F)cc1F	ZINC000805135267	883616808	/nfs/dbraw/zinc/61/68/08/883616808.db2.gz	HRWZDSKPXWLNLF-UHFFFAOYSA-N	-2	1	386.178	3.595	20	10		GHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cc(F)ccc1Br	ZINC000808113966	886022319	/nfs/dbraw/zinc/02/23/19/886022319.db2.gz	OLLAJYRTQMSUQA-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
Cc1cc(Br)c(O)c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1	ZINC001594269907	959789388	/nfs/dbraw/zinc/78/93/88/959789388.db2.gz	DLNGTNQVFCCPTE-HNNXBMFYSA-N	-2	1	376.250	3.647	20	10		GHCDML
CC[C@@H](C)C[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001444696806	1059362902	/nfs/dbraw/zinc/36/29/02/1059362902.db2.gz	SVZSZHUJJPKNFV-OLZOCXBDSA-N	-2	1	396.534	3.809	20	10		GHCDML
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000776743971	879831127	/nfs/dbraw/zinc/83/11/27/879831127.db2.gz	OJEUZLDQKASWLW-UHFFFAOYSA-N	-2	1	386.458	3.501	20	10		GHCDML
Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821157576	897769049	/nfs/dbraw/zinc/76/90/49/897769049.db2.gz	OSXWASIKBDTRQN-UHFFFAOYSA-N	-2	1	378.194	3.542	20	10		GHCDML
CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000772874613	899214132	/nfs/dbraw/zinc/21/41/32/899214132.db2.gz	YNJUTYMKLNDMPI-TZMCWYRMSA-N	-2	1	394.518	3.658	20	10		GHCDML
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000003106796	912047937	/nfs/dbraw/zinc/04/79/37/912047937.db2.gz	ZMSDCCYGVYJHHT-UHFFFAOYSA-N	-2	1	391.232	3.678	20	10		GHCDML
CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1	ZINC001191821996	918244528	/nfs/dbraw/zinc/24/45/28/918244528.db2.gz	ZMCRLIMEYFUKOX-UHFFFAOYSA-N	-2	1	386.267	3.663	20	10		GHCDML
O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000325857922	971249362	/nfs/dbraw/zinc/24/93/62/971249362.db2.gz	CPACTNGNSKILFD-UHFFFAOYSA-N	-3	1	383.834	3.759	20	10		GHCDML
CCC[C@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001472240007	1073379113	/nfs/dbraw/zinc/37/91/13/1073379113.db2.gz	SXFFSDMSXMQGCB-AWEZNQCLSA-N	-2	1	394.518	3.659	20	10		GHCDML
C[C@@H](CCC1CC1)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769641523	874183021	/nfs/dbraw/zinc/18/30/21/874183021.db2.gz	AHPSZZFHKZMENQ-LBPRGKRZSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C\c2cc(F)cc(F)c2[O-])SC1=S	ZINC000887275739	901718548	/nfs/dbraw/zinc/71/85/48/901718548.db2.gz	PHTMKHKGUPSJJR-KPKJPENVSA-N	-2	1	387.429	3.517	20	10		GHCDML
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000795343065	909991043	/nfs/dbraw/zinc/99/10/43/909991043.db2.gz	DZTQQZKXJWHCJG-UHFFFAOYSA-N	-2	1	381.168	3.547	20	10		GHCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1[O-]	ZINC000775288079	916856366	/nfs/dbraw/zinc/85/63/66/916856366.db2.gz	JHDMHZTXRJEKFM-UHFFFAOYSA-N	-2	1	394.352	3.713	20	10		GHCDML
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cc(F)cc(F)c1[O-]	ZINC000753018698	929160578	/nfs/dbraw/zinc/16/05/78/929160578.db2.gz	OBMAOAOKRWIGPJ-UHFFFAOYSA-N	-2	1	385.722	3.726	20	10		GHCDML
C[C@@H]1CC(C)(C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000839877335	1026326471	/nfs/dbraw/zinc/32/64/71/1026326471.db2.gz	NJFXHKUGGKMVKZ-GFCCVEGCSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1	ZINC001201222940	875585143	/nfs/dbraw/zinc/58/51/43/875585143.db2.gz	TVBQDGQLASYUBX-UHFFFAOYSA-N	-2	1	392.367	3.902	20	10		GHCDML
O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000753016868	929159270	/nfs/dbraw/zinc/15/92/70/929159270.db2.gz	RJEHZPIUBROEBY-UHFFFAOYSA-N	-2	1	378.356	3.659	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cc(Cl)ccc1F	ZINC001259458932	1045173453	/nfs/dbraw/zinc/17/34/53/1045173453.db2.gz	VSAGMYUMUMERCG-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
Cc1c(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1O	ZINC001192430730	870359457	/nfs/dbraw/zinc/35/94/57/870359457.db2.gz	YZWLRBPHMGJSIV-UHFFFAOYSA-N	-2	1	390.244	3.815	20	10		GHCDML
C[C@H](CC1CCC1)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001169251079	871348755	/nfs/dbraw/zinc/34/87/55/871348755.db2.gz	MIAWZPWZUSOJNM-GFCCVEGCSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C(Nc1ccccc1F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093900558	912509056	/nfs/dbraw/zinc/50/90/56/912509056.db2.gz	CNGBYSVUPGXMHU-UHFFFAOYSA-N	-2	1	392.433	3.646	20	10		GHCDML
O=C(NC1CCCCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748008617	894006434	/nfs/dbraw/zinc/00/64/34/894006434.db2.gz	JCOGMGUXUSXKBR-UHFFFAOYSA-N	-2	1	394.518	3.707	20	10		GHCDML
CCC[C@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271305683	910854859	/nfs/dbraw/zinc/85/48/59/910854859.db2.gz	VPFSLOCLIAQLBY-LBPRGKRZSA-N	-2	1	382.507	3.515	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(Cl)nc1Cl	ZINC001187959643	915648625	/nfs/dbraw/zinc/64/86/25/915648625.db2.gz	GEKCYESCPCEJNB-UHFFFAOYSA-N	-2	1	398.065	3.657	20	10		GHCDML
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c(F)c1F	ZINC000830185337	935910836	/nfs/dbraw/zinc/91/08/36/935910836.db2.gz	ZCKDHCWEVQWFIP-UHFFFAOYSA-N	-2	1	391.417	3.528	20	10		GHCDML
C[C@H](N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1(C)CC1	ZINC000179769565	835974994	/nfs/dbraw/zinc/97/49/94/835974994.db2.gz	HZXSFRHNWOVHCK-LBPRGKRZSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)c(F)c3)cc2)c1	ZINC001196090918	872873879	/nfs/dbraw/zinc/87/38/79/872873879.db2.gz	VOQYQHHHBLTNNN-UHFFFAOYSA-N	-2	1	387.388	3.697	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cnc(Cl)c(Br)c1	ZINC000821192462	897755930	/nfs/dbraw/zinc/75/59/30/897755930.db2.gz	UWISWELZZBPXOB-UHFFFAOYSA-N	-2	1	398.065	3.657	20	10		GHCDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CCCCC1	ZINC000093911625	901578680	/nfs/dbraw/zinc/57/86/80/901578680.db2.gz	YTEWPMRYZIHRSR-UHFFFAOYSA-N	-2	1	394.518	3.659	20	10		GHCDML
O=C([O-])c1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1F	ZINC001175220171	907440188	/nfs/dbraw/zinc/44/01/88/907440188.db2.gz	LKUJDERQWUJJBZ-UHFFFAOYSA-N	-2	1	377.327	3.749	20	10		GHCDML
C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000091743782	911250473	/nfs/dbraw/zinc/25/04/73/911250473.db2.gz	XPHINGYAKJOVAU-QWHCGFSZSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)ccc1O	ZINC000757658120	929761360	/nfs/dbraw/zinc/76/13/60/929761360.db2.gz	WHJMRBFBRXHXCY-UHFFFAOYSA-N	-2	1	393.364	3.503	20	10		GHCDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)cc1C(=O)[O-]	ZINC000832956456	600830480	/nfs/dbraw/zinc/83/04/80/600830480.db2.gz	BSXSHRULVQSQNQ-UHFFFAOYSA-N	-2	1	388.489	3.874	20	10		GHCDML
C[C@H]1CCCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000186455863	856234174	/nfs/dbraw/zinc/23/41/74/856234174.db2.gz	HYOWSOBQVGSXSQ-ZDUSSCGKSA-N	-2	1	394.518	3.517	20	10		GHCDML
CCCC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769739037	874276058	/nfs/dbraw/zinc/27/60/58/874276058.db2.gz	XHKMFTHIOYVMIR-UHFFFAOYSA-N	-2	1	382.507	3.563	20	10		GHCDML
CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000772874607	899213997	/nfs/dbraw/zinc/21/39/97/899213997.db2.gz	YNJUTYMKLNDMPI-GXTWGEPZSA-N	-2	1	394.518	3.658	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C\c2cccc([O-])c2Cl)SC1=S	ZINC000840729398	1027770316	/nfs/dbraw/zinc/77/03/16/1027770316.db2.gz	BUJOVTHEBFZZIW-FMIVXFBMSA-N	-2	1	385.894	3.892	20	10		GHCDML
CC1(C)CCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769958188	874365046	/nfs/dbraw/zinc/36/50/46/874365046.db2.gz	QFEKWIQCZUWONG-HNNXBMFYSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC1(C)CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000175231943	883473588	/nfs/dbraw/zinc/47/35/88/883473588.db2.gz	VMMQASKAHGIDFN-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
CC[C@]1(C)CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000759099265	930273078	/nfs/dbraw/zinc/27/30/78/930273078.db2.gz	MRTGPVVQEFVQTH-GOSISDBHSA-N	-2	1	394.518	3.517	20	10		GHCDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC(C)(C)C1	ZINC000838145648	1024945626	/nfs/dbraw/zinc/94/56/26/1024945626.db2.gz	FUEMJPKJLYBBLI-UHFFFAOYSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(F)c1	ZINC001203292163	1027264511	/nfs/dbraw/zinc/26/45/11/1027264511.db2.gz	HKLSVKIOCPSUCY-UHFFFAOYSA-N	-2	1	377.327	3.749	20	10		GHCDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1C(=O)[O-]	ZINC000832956644	600830416	/nfs/dbraw/zinc/83/04/16/600830416.db2.gz	NCBOVJGPVFOCEP-UHFFFAOYSA-N	-2	1	388.489	3.730	20	10		GHCDML
C[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000177124485	835999694	/nfs/dbraw/zinc/99/96/94/835999694.db2.gz	FJZRAVCNZCOHPS-CYBMUJFWSA-N	-2	1	394.518	3.517	20	10		GHCDML
Cc1c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cnn1-c1ccc(Cl)cc1	ZINC000776749122	879916817	/nfs/dbraw/zinc/91/68/17/879916817.db2.gz	ZGNVNZKGYYAOOD-UHFFFAOYSA-N	-2	1	398.271	3.994	20	10		GHCDML
CC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCCC1	ZINC000751068046	928010726	/nfs/dbraw/zinc/01/07/26/928010726.db2.gz	HCTFYFLPBCDRRO-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
O=C([O-])[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1Br	ZINC000756350908	838273506	/nfs/dbraw/zinc/27/35/06/838273506.db2.gz	QMVFSOMDQSPFJR-AWEZNQCLSA-N	-2	1	388.620	3.863	20	10		GHCDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000793416854	882194795	/nfs/dbraw/zinc/19/47/95/882194795.db2.gz	RHBOAUIKAGHIRT-UHFFFAOYSA-N	-3	1	394.207	3.646	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc(C(=O)[O-])c1C	ZINC000775466636	918091286	/nfs/dbraw/zinc/09/12/86/918091286.db2.gz	DUQJQVQIFNGJSM-UHFFFAOYSA-N	-3	1	390.244	3.815	20	10		GHCDML
CC[C@H](C)C[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001444696820	1059363198	/nfs/dbraw/zinc/36/31/98/1059363198.db2.gz	SVZSZHUJJPKNFV-QWHCGFSZSA-N	-2	1	396.534	3.809	20	10		GHCDML
CC(C)(C)CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001465315029	1065540791	/nfs/dbraw/zinc/54/07/91/1065540791.db2.gz	XFWSLXDEURPIOU-UHFFFAOYSA-N	-2	1	396.534	3.811	20	10		GHCDML
CCCCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000124808655	849388709	/nfs/dbraw/zinc/38/87/09/849388709.db2.gz	MWXKFYNWFOSBHT-UHFFFAOYSA-N	-2	1	382.507	3.517	20	10		GHCDML
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000790415743	879696734	/nfs/dbraw/zinc/69/67/34/879696734.db2.gz	KGLQBKSQULHPCF-UHFFFAOYSA-N	-2	1	390.244	3.760	20	10		GHCDML
CC[C@H]1CCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093900117	912507452	/nfs/dbraw/zinc/50/74/52/912507452.db2.gz	RZGFTSYSLQSAMH-AWEZNQCLSA-N	-2	1	394.518	3.659	20	10		GHCDML
CCCN(CCC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093900647	912507815	/nfs/dbraw/zinc/50/78/15/912507815.db2.gz	HKDJZJZTABDWQI-UHFFFAOYSA-N	-2	1	382.507	3.517	20	10		GHCDML
CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000187447798	893039380	/nfs/dbraw/zinc/03/93/80/893039380.db2.gz	SSQATUHRXMGKQN-SWLSCSKDSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1cc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])cs1	ZINC001454259536	1061674702	/nfs/dbraw/zinc/67/47/02/1061674702.db2.gz	XUVXADVHGBWHEL-UHFFFAOYSA-N	-2	1	394.499	3.877	20	10		GHCDML
COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1OC	ZINC000808113510	886024766	/nfs/dbraw/zinc/02/47/66/886024766.db2.gz	BLNALXOZWDFHLQ-UHFFFAOYSA-N	-2	1	396.223	3.656	20	10		GHCDML
Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821198519	897758940	/nfs/dbraw/zinc/75/89/40/897758940.db2.gz	NSZOVZVWABHGKI-UHFFFAOYSA-N	-2	1	396.184	3.681	20	10		GHCDML
CC(C)CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000093927343	901580346	/nfs/dbraw/zinc/58/03/46/901580346.db2.gz	XXXHQHTVTTUGFL-UHFFFAOYSA-N	-2	1	394.518	3.515	20	10		GHCDML
CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2C(=O)OC)cc1	ZINC001190447750	917349996	/nfs/dbraw/zinc/34/99/96/917349996.db2.gz	OOOFIGYCOOFCKL-UHFFFAOYSA-N	-2	1	395.452	3.806	20	10		GHCDML
O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1cc(F)cc(F)c1[O-]	ZINC000753015101	929158030	/nfs/dbraw/zinc/15/80/30/929158030.db2.gz	AZLKSELNSTXCRC-UHFFFAOYSA-N	-2	1	389.470	3.950	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccc(Cl)c1F	ZINC001259470091	1045182933	/nfs/dbraw/zinc/18/29/33/1045182933.db2.gz	YKGRKZXEKDAZET-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cc(F)c(F)cc1Cl	ZINC001260284231	1045441931	/nfs/dbraw/zinc/44/19/31/1045441931.db2.gz	LCKYRZMSHNDDMI-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000326227987	841683046	/nfs/dbraw/zinc/68/30/46/841683046.db2.gz	UOEVCWAYTFSXEB-UHFFFAOYSA-N	-2	1	390.244	3.517	20	10		GHCDML
CCC[C@H](CC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769727587	874256036	/nfs/dbraw/zinc/25/60/36/874256036.db2.gz	LBBAIOULBIUCBB-LBPRGKRZSA-N	-2	1	382.507	3.563	20	10		GHCDML
CC(C)C(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)C	ZINC000770043618	874422063	/nfs/dbraw/zinc/42/20/63/874422063.db2.gz	YNLKKFASQVAPHY-UHFFFAOYSA-N	-2	1	396.534	3.665	20	10		GHCDML
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808115708	886026273	/nfs/dbraw/zinc/02/62/73/886026273.db2.gz	PHRWDVVLGFCJQH-UHFFFAOYSA-N	-2	1	378.208	3.842	20	10		GHCDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C)c(C)c1O	ZINC000775291141	916838537	/nfs/dbraw/zinc/83/85/37/916838537.db2.gz	AXRRHGRFWYZHMI-UHFFFAOYSA-N	-2	1	387.816	3.609	20	10		GHCDML
O=C([O-])c1cc(F)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(F)c1	ZINC001215613860	1029306368	/nfs/dbraw/zinc/30/63/68/1029306368.db2.gz	RBWOZBXGKGXYQL-UHFFFAOYSA-N	-2	1	395.317	3.888	20	10		GHCDML
CC[C@H]1CCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769977475	874384902	/nfs/dbraw/zinc/38/49/02/874384902.db2.gz	PDKRGLUCUBYMEQ-WFASDCNBSA-N	-2	1	394.518	3.563	20	10		GHCDML
C[C@H]1CCC[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000748025128	894177114	/nfs/dbraw/zinc/17/71/14/894177114.db2.gz	SURFKEBPEOYFMU-QWHCGFSZSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc([O-])c(F)c2F)SC1=S	ZINC000887275672	901716584	/nfs/dbraw/zinc/71/65/84/901716584.db2.gz	NIMYNDRVFRWOSO-FLIBITNWSA-N	-2	1	387.429	3.517	20	10		GHCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)ccc1Cl	ZINC001188313862	915881261	/nfs/dbraw/zinc/88/12/61/915881261.db2.gz	BMFFXTMSPYAAIX-UHFFFAOYSA-N	-2	1	395.742	3.563	20	10		GHCDML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000392395160	972479720	/nfs/dbraw/zinc/47/97/20/972479720.db2.gz	RLSCWBNXDTVHQW-ZZXKWVIFSA-N	-3	1	388.228	3.598	20	10		GHCDML
C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1	ZINC001589512814	987152606	/nfs/dbraw/zinc/15/26/06/987152606.db2.gz	WZELBPYSXHSCOB-JTQLQIEISA-N	-2	1	393.237	3.665	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1c(F)cccc1Br	ZINC001200988668	875449467	/nfs/dbraw/zinc/44/94/67/875449467.db2.gz	VSJNKYNNKJYYRH-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(F)cc1Br	ZINC000808115529	886025744	/nfs/dbraw/zinc/02/57/44/886025744.db2.gz	HSFRLPJCFBECQT-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
COc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1C(=O)[O-]	ZINC001174684946	907147359	/nfs/dbraw/zinc/14/73/59/907147359.db2.gz	BYOOHIGCTLRLDD-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
CC(C)N(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CCC1	ZINC000091730298	911241345	/nfs/dbraw/zinc/24/13/45/911241345.db2.gz	BYOVSLFCKNOYHM-UHFFFAOYSA-N	-2	1	394.518	3.658	20	10		GHCDML
CCC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000751062324	928009176	/nfs/dbraw/zinc/00/91/76/928009176.db2.gz	BXHZAMIVTPSMKK-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1	ZINC001258936939	1044891968	/nfs/dbraw/zinc/89/19/68/1044891968.db2.gz	URTVYGGIOVPIIE-UHFFFAOYSA-N	-2	1	392.658	3.618	20	10		GHCDML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000325944779	840257938	/nfs/dbraw/zinc/25/79/38/840257938.db2.gz	ZTXDOFSGWUGGFN-UHFFFAOYSA-N	-2	1	394.207	3.646	20	10		GHCDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1C	ZINC000326219588	841676371	/nfs/dbraw/zinc/67/63/71/841676371.db2.gz	SMATWMQVBRHTLP-UHFFFAOYSA-N	-3	1	390.244	3.815	20	10		GHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccccc1OC(F)(F)F	ZINC000808115661	886026396	/nfs/dbraw/zinc/02/63/96/886026396.db2.gz	NFEBURNUNFNDPN-UHFFFAOYSA-N	-2	1	385.722	3.884	20	10		GHCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000794873248	888614736	/nfs/dbraw/zinc/61/47/36/888614736.db2.gz	CVIXUUCTPIOSKF-UHFFFAOYSA-N	-2	1	387.866	3.575	20	10		GHCDML
CCCCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000271179048	910805804	/nfs/dbraw/zinc/80/58/04/910805804.db2.gz	CBVUTCXQERJLDB-UHFFFAOYSA-N	-2	1	394.518	3.659	20	10		GHCDML
CCC[C@@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271305680	910855132	/nfs/dbraw/zinc/85/51/32/910855132.db2.gz	VPFSLOCLIAQLBY-GFCCVEGCSA-N	-2	1	382.507	3.515	20	10		GHCDML
CC[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC001154791952	1032284613	/nfs/dbraw/zinc/28/46/13/1032284613.db2.gz	HEJPXCODLUQLBM-QWHCGFSZSA-N	-2	1	394.518	3.515	20	10		GHCDML
COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1C(=O)[O-]	ZINC001209903741	1027270212	/nfs/dbraw/zinc/27/02/12/1027270212.db2.gz	PSSYTLPSLVHEPS-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc([O-])c2Cl)SC1=S	ZINC000840729402	1027769378	/nfs/dbraw/zinc/76/93/78/1027769378.db2.gz	BUJOVTHEBFZZIW-XFXZXTDPSA-N	-2	1	385.894	3.892	20	10		GHCDML
O=C([O-])Cc1ccc(F)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1	ZINC001216681109	1029728782	/nfs/dbraw/zinc/72/87/82/1029728782.db2.gz	KSZMZRYCPHAHLB-UHFFFAOYSA-N	-2	1	391.354	3.677	20	10		GHCDML
[O-]c1c(CNc2nc[n-]c3nc(=S)sc2-3)cc(Cl)c2cccnc12	ZINC001157726117	1033741702	/nfs/dbraw/zinc/74/17/02/1033741702.db2.gz	FGBFXPWLDMUKPF-UHFFFAOYSA-N	-2	1	375.866	3.894	20	10		GHCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCCCCC1	ZINC000176952265	835360478	/nfs/dbraw/zinc/36/04/78/835360478.db2.gz	WCUFAIBNBFYDKE-UHFFFAOYSA-N	-2	1	394.518	3.661	20	10		GHCDML
COc1cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ccc1O	ZINC001196097293	872877797	/nfs/dbraw/zinc/87/77/97/872877797.db2.gz	ZZWZASKLOAKUPB-UHFFFAOYSA-N	-2	1	399.424	3.567	20	10		GHCDML
CC(C)(C)C(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000817219766	895403400	/nfs/dbraw/zinc/40/34/00/895403400.db2.gz	KPGWJCJIMIONFP-UHFFFAOYSA-N	-2	1	396.534	3.809	20	10		GHCDML
CCCN(CC1CC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093901636	901575704	/nfs/dbraw/zinc/57/57/04/901575704.db2.gz	AYABOFCQXNGWDD-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC001190256765	917213743	/nfs/dbraw/zinc/21/37/43/917213743.db2.gz	HZWUSDMFZZXGBC-UHFFFAOYSA-N	-2	1	381.759	3.874	20	10		GHCDML
CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2)CC1	ZINC000737754332	601360947	/nfs/dbraw/zinc/36/09/47/601360947.db2.gz	POAFTRGWHZGEJW-UHFFFAOYSA-N	-2	1	392.452	3.561	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(Br)cnc1Cl	ZINC000194945285	908943048	/nfs/dbraw/zinc/94/30/48/908943048.db2.gz	NWFYXZSCHZCAKM-UHFFFAOYSA-N	-2	1	398.065	3.657	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cnc(Cl)c(C(F)(F)F)c1	ZINC001188238004	915815365	/nfs/dbraw/zinc/81/53/65/915815365.db2.gz	LQKUWOXPHUMDFP-UHFFFAOYSA-N	-2	1	387.166	3.914	20	10		GHCDML
C[C@@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2)C1=CC=C[CH]1	ZINC001228193894	1032833520	/nfs/dbraw/zinc/83/35/20/1032833520.db2.gz	NPAXRNFLSHDTLT-CWTRNNRKSA-N	-2	1	379.388	3.978	20	10		GHCDML
COc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC001196607347	873227210	/nfs/dbraw/zinc/22/72/10/873227210.db2.gz	HVJKAXLLGZEMOE-UHFFFAOYSA-N	-2	1	392.658	3.618	20	10		GHCDML
CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769931485	874373586	/nfs/dbraw/zinc/37/35/86/874373586.db2.gz	JEGKRASIEGIYHW-TZMCWYRMSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC[C@H]1[C@@H](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000187447818	893038985	/nfs/dbraw/zinc/03/89/85/893038985.db2.gz	SSQATUHRXMGKQN-WFASDCNBSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1c(Cl)cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c([O-])c1Cl	ZINC001155228079	1032464056	/nfs/dbraw/zinc/46/40/56/1032464056.db2.gz	JIOJGAPHCKZLFF-UHFFFAOYSA-N	-2	1	396.182	3.777	20	10		GHCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1[O-]	ZINC000753522812	1049724091	/nfs/dbraw/zinc/72/40/91/1049724091.db2.gz	URTHGYNTGKZHAP-UHFFFAOYSA-N	-2	1	378.793	3.908	20	10		GHCDML
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833420617	604863762	/nfs/dbraw/zinc/86/37/62/604863762.db2.gz	WQRXNNFYYYDUJU-INIZCTEOSA-N	-2	1	397.471	3.652	20	10		GHCDML
CC[C@H]1CCC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769977474	874384179	/nfs/dbraw/zinc/38/41/79/874384179.db2.gz	PDKRGLUCUBYMEQ-SWLSCSKDSA-N	-2	1	394.518	3.563	20	10		GHCDML
C[C@H]1CC[C@H](C)N(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000179673259	877825297	/nfs/dbraw/zinc/82/52/97/877825297.db2.gz	GIBAITKPEMVHEJ-STQMWFEESA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C([O-])c1cc(F)cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1	ZINC001209888361	1027262621	/nfs/dbraw/zinc/26/26/21/1027262621.db2.gz	CGQRKQNSZXKFEL-UHFFFAOYSA-N	-2	1	377.327	3.749	20	10		GHCDML
CCCCC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001290692937	1049902323	/nfs/dbraw/zinc/90/23/23/1049902323.db2.gz	ZVAHQZARYOEFKL-ZDUSSCGKSA-N	-2	1	396.534	3.953	20	10		GHCDML
C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CCCC1	ZINC000764265254	1068097131	/nfs/dbraw/zinc/09/71/31/1068097131.db2.gz	TUOCGJUBXGYMRH-LBPRGKRZSA-N	-2	1	394.518	3.563	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)sc1Br	ZINC000126307910	893450949	/nfs/dbraw/zinc/45/09/49/893450949.db2.gz	HURBHRQIBHNUDD-UHFFFAOYSA-N	-2	1	382.688	3.979	20	10		GHCDML
CCCCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748027583	894184485	/nfs/dbraw/zinc/18/44/85/894184485.db2.gz	XJXFPQVNXDGLEP-UHFFFAOYSA-N	-2	1	382.507	3.565	20	10		GHCDML
Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)c1	ZINC001191185232	917838579	/nfs/dbraw/zinc/83/85/79/917838579.db2.gz	QFMOOSHFPJKYAK-UHFFFAOYSA-N	-2	1	393.262	3.812	20	10		GHCDML
O=C([O-])CCc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1	ZINC001213631970	1028302829	/nfs/dbraw/zinc/30/28/29/1028302829.db2.gz	ORFRQVFPKXWHSS-UHFFFAOYSA-N	-2	1	387.391	3.928	20	10		GHCDML
Cc1sccc1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001471085727	1072916321	/nfs/dbraw/zinc/91/63/21/1072916321.db2.gz	JOKIKPLPUGNREO-UHFFFAOYSA-N	-2	1	394.499	3.877	20	10		GHCDML
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1	ZINC000808115714	886026804	/nfs/dbraw/zinc/02/68/04/886026804.db2.gz	PQRZNLVJHRMCBY-UHFFFAOYSA-N	-2	1	395.195	3.856	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C/c2cc(F)c([O-])c(F)c2)SC1=S	ZINC000267328551	909454213	/nfs/dbraw/zinc/45/42/13/909454213.db2.gz	HDJRZODENQNDLV-WQLSENKSSA-N	-2	1	387.429	3.517	20	10		GHCDML
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])ccc2o1	ZINC000753016983	929159524	/nfs/dbraw/zinc/15/95/24/929159524.db2.gz	KGKPHDPRQKRWJL-UHFFFAOYSA-N	-2	1	382.388	3.910	20	10		GHCDML
CC[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@@H]1C	ZINC001154791950	1032285551	/nfs/dbraw/zinc/28/55/51/1032285551.db2.gz	HEJPXCODLUQLBM-CHWSQXEVSA-N	-2	1	394.518	3.515	20	10		GHCDML
Nc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2s1	ZINC001237733059	1042344423	/nfs/dbraw/zinc/34/44/23/1042344423.db2.gz	SVJNWMZORHTOSN-UHFFFAOYSA-N	-2	1	390.273	3.692	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccc(Cl)cc1F	ZINC001259511352	1045213317	/nfs/dbraw/zinc/21/33/17/1045213317.db2.gz	YWIGZXXDKOYXQT-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cc(Cl)c(F)cc1F	ZINC001260202578	1045410957	/nfs/dbraw/zinc/41/09/57/1045410957.db2.gz	LEDHDOAFZWHGDT-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(Cl)c1	ZINC000323962811	868694987	/nfs/dbraw/zinc/69/49/87/868694987.db2.gz	UIFLWJXHEHPDAA-UHFFFAOYSA-N	-2	1	396.635	3.851	20	10		GHCDML
Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001192430501	870359132	/nfs/dbraw/zinc/35/91/32/870359132.db2.gz	QGAXQGPILQBZGT-UHFFFAOYSA-N	-2	1	390.244	3.815	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(F)c1Br	ZINC001201781865	875878812	/nfs/dbraw/zinc/87/88/12/875878812.db2.gz	TYUYHRZCHQTXOV-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)c1Cl	ZINC000788494106	878102606	/nfs/dbraw/zinc/10/26/06/878102606.db2.gz	TZQLMAZOQDPJRR-UHFFFAOYSA-N	-2	1	396.273	3.656	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc([O-])c(F)c2F)SC1=S	ZINC000887275671	901715793	/nfs/dbraw/zinc/71/57/93/901715793.db2.gz	NIMYNDRVFRWOSO-DHZHZOJOSA-N	-2	1	387.429	3.517	20	10		GHCDML
Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])c(F)c1	ZINC001463824013	1064651546	/nfs/dbraw/zinc/65/15/46/1064651546.db2.gz	FATYLDPINHAYAL-UHFFFAOYSA-N	-2	1	382.215	3.764	20	10		GHCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)ccc1F	ZINC000738679465	601361021	/nfs/dbraw/zinc/36/10/21/601361021.db2.gz	WRRVTOGRHKIYFE-UHFFFAOYSA-N	-2	1	392.452	3.705	20	10		GHCDML
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1	ZINC000833294945	601848100	/nfs/dbraw/zinc/84/81/00/601848100.db2.gz	NYZBRLYUSQQQNG-UHFFFAOYSA-N	-2	1	392.452	3.705	20	10		GHCDML
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000060160129	834896664	/nfs/dbraw/zinc/89/66/64/834896664.db2.gz	HQFUCLWOFQFYGX-LCYFTJDESA-N	-2	1	385.894	3.892	20	10		GHCDML
C[C@H]1CC(C)(C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000839877336	1026326301	/nfs/dbraw/zinc/32/63/01/1026326301.db2.gz	NJFXHKUGGKMVKZ-LBPRGKRZSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=C1C=CC(=NNc2cc(Cl)cc(S(=O)(=O)[O-])c2OC2CC2)C([O-])=C1	ZINC001231190625	1034453762	/nfs/dbraw/zinc/45/37/62/1034453762.db2.gz	FSMGFGPJKXEAIE-ISLYRVAYSA-N	-2	1	384.797	3.955	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc(C(=O)[O-])c1F	ZINC000325766867	838781499	/nfs/dbraw/zinc/78/14/99/838781499.db2.gz	VOEFCLYIMWHPNO-UHFFFAOYSA-N	-3	1	394.207	3.646	20	10		GHCDML
Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000771220380	875130697	/nfs/dbraw/zinc/13/06/97/875130697.db2.gz	VVLZPFQLIOOAJS-UHFFFAOYSA-N	-2	1	376.217	3.506	20	10		GHCDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1	ZINC000738546256	600757053	/nfs/dbraw/zinc/75/70/53/600757053.db2.gz	PKGPSNNOOHIIIO-UHFFFAOYSA-N	-2	1	388.489	3.874	20	10		GHCDML
Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)ccc1C(=O)[O-]	ZINC000832904475	600984172	/nfs/dbraw/zinc/98/41/72/600984172.db2.gz	PCEOLNCQDHVDQF-UHFFFAOYSA-N	-2	1	388.489	3.874	20	10		GHCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1O	ZINC000013464097	838817370	/nfs/dbraw/zinc/81/73/70/838817370.db2.gz	BFFYDPXAPULZEL-UHFFFAOYSA-N	-2	1	395.742	3.563	20	10		GHCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000792702124	881627127	/nfs/dbraw/zinc/62/71/27/881627127.db2.gz	MVEYRZXFCKDRHY-UHFFFAOYSA-N	-2	1	387.866	3.575	20	10		GHCDML
CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)c1	ZINC001192805486	870684221	/nfs/dbraw/zinc/68/42/21/870684221.db2.gz	IVOKUQBCAQBGIF-UHFFFAOYSA-N	-2	1	386.267	3.527	20	10		GHCDML
C[C@H]1CCCC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769601757	874188604	/nfs/dbraw/zinc/18/86/04/874188604.db2.gz	KKCNFQICNDHQID-SWLSCSKDSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC(C)C(C)(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001154516948	1032155999	/nfs/dbraw/zinc/15/59/99/1032155999.db2.gz	HCMVGGDMTSZQOF-UHFFFAOYSA-N	-2	1	396.534	3.667	20	10		GHCDML
C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000179673270	877824652	/nfs/dbraw/zinc/82/46/52/877824652.db2.gz	GIBAITKPEMVHEJ-CHWSQXEVSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(F)c(F)c1F	ZINC000805135525	883616627	/nfs/dbraw/zinc/61/66/27/883616627.db2.gz	NAQVNDKSMMMZKA-UHFFFAOYSA-N	-2	1	386.178	3.595	20	10		GHCDML
CC[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000177053913	835681346	/nfs/dbraw/zinc/68/13/46/835681346.db2.gz	UDZKNPKACARZJJ-CYBMUJFWSA-N	-2	1	394.518	3.517	20	10		GHCDML
CC(C)CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)C	ZINC000179502616	835746490	/nfs/dbraw/zinc/74/64/90/835746490.db2.gz	NKJURZLYWWAEPI-UHFFFAOYSA-N	-2	1	396.534	3.761	20	10		GHCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000792702962	881628998	/nfs/dbraw/zinc/62/89/98/881628998.db2.gz	KYMMNXUAYWXDQI-UHFFFAOYSA-N	-2	1	387.866	3.575	20	10		GHCDML
C[C@@H]1CCCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769859699	874306876	/nfs/dbraw/zinc/30/68/76/874306876.db2.gz	SMZWJGYNQUGNCI-CYBMUJFWSA-N	-2	1	394.518	3.659	20	10		GHCDML
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769977472	874384829	/nfs/dbraw/zinc/38/48/29/874384829.db2.gz	PDKRGLUCUBYMEQ-DOMZBBRYSA-N	-2	1	394.518	3.563	20	10		GHCDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000322846122	886225495	/nfs/dbraw/zinc/22/54/95/886225495.db2.gz	STKZOBDBBAOMOQ-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
O=S(=O)(Nc1cc(F)c([O-])cc1F)c1cc(Br)ccc1Cl	ZINC001189756419	916881363	/nfs/dbraw/zinc/88/13/63/916881363.db2.gz	LRTZFSGSWOUWOL-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000834897271	1021642571	/nfs/dbraw/zinc/64/25/71/1021642571.db2.gz	ZDHINXLHDFCNOU-LLVKDONJSA-N	-2	1	397.353	3.960	20	10		GHCDML
O=C([O-])c1c(F)cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1F	ZINC001203327267	1027276533	/nfs/dbraw/zinc/27/65/33/1027276533.db2.gz	DXGNJAPVQCXFJG-UHFFFAOYSA-N	-2	1	395.317	3.888	20	10		GHCDML
O=C([O-])c1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc(F)c1F	ZINC001215468045	1029222910	/nfs/dbraw/zinc/22/29/10/1029222910.db2.gz	VWWYWJQHENLJTM-UHFFFAOYSA-N	-2	1	395.317	3.888	20	10		GHCDML
CCCCC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001456983738	1062939079	/nfs/dbraw/zinc/93/90/79/1062939079.db2.gz	HUJDIKWSHVXVSP-UHFFFAOYSA-N	-2	1	394.518	3.707	20	10		GHCDML
CCC[C@@H](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001471610619	1073158041	/nfs/dbraw/zinc/15/80/41/1073158041.db2.gz	JRCBRFGBJXRBFL-CYBMUJFWSA-N	-2	1	396.534	3.811	20	10		GHCDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000326173441	841423475	/nfs/dbraw/zinc/42/34/75/841423475.db2.gz	KLJVSYTXELQYPJ-UHFFFAOYSA-N	-3	1	390.244	3.760	20	10		GHCDML
O=C([O-])c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(F)c1F	ZINC001212514205	862341824	/nfs/dbraw/zinc/34/18/24/862341824.db2.gz	HUHICGIIRCXDHX-UHFFFAOYSA-N	-2	1	395.317	3.888	20	10		GHCDML
CC[C@H]1C[C@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769931483	874373079	/nfs/dbraw/zinc/37/30/79/874373079.db2.gz	JEGKRASIEGIYHW-JSGCOSHPSA-N	-2	1	394.518	3.515	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(Br)c(F)cc1F	ZINC000776750439	879927111	/nfs/dbraw/zinc/92/71/11/879927111.db2.gz	DNMOQDLNXONLSU-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1Br	ZINC000753020225	929160514	/nfs/dbraw/zinc/16/05/14/929160514.db2.gz	PHNPHSLEYYAODL-UHFFFAOYSA-N	-2	1	378.194	3.542	20	10		GHCDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1	ZINC000738277313	600757085	/nfs/dbraw/zinc/75/70/85/600757085.db2.gz	TXKSBZITCUANCH-UHFFFAOYSA-N	-2	1	388.489	3.874	20	10		GHCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000832898100	601492785	/nfs/dbraw/zinc/49/27/85/601492785.db2.gz	CVKCZAUHZVOEII-UHFFFAOYSA-N	-2	1	383.853	3.976	20	10		GHCDML
CCC[C@@H](CC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769727586	874255785	/nfs/dbraw/zinc/25/57/85/874255785.db2.gz	LBBAIOULBIUCBB-GFCCVEGCSA-N	-2	1	382.507	3.563	20	10		GHCDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000322756809	886120646	/nfs/dbraw/zinc/12/06/46/886120646.db2.gz	BOBVSMBCKNLHGA-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
CCC(CC)N(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000813855957	892027318	/nfs/dbraw/zinc/02/73/18/892027318.db2.gz	UVHDCQLAOCFSIE-UHFFFAOYSA-N	-2	1	396.534	3.905	20	10		GHCDML
CC(C)[C@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271219916	910822591	/nfs/dbraw/zinc/82/25/91/910822591.db2.gz	FURUCXJYGOCUPE-OAHLLOKOSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC(C)(C)[C@@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001336354775	1052262793	/nfs/dbraw/zinc/26/27/93/1052262793.db2.gz	DCYYBWSQNYGJSR-HNNXBMFYSA-N	-2	1	394.518	3.515	20	10		GHCDML
C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000737471433	599853478	/nfs/dbraw/zinc/85/34/78/599853478.db2.gz	YTXXVZVOVNTZSP-UHFFFAOYSA-N	-2	1	391.423	3.659	20	10		GHCDML
C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000737471433	599853481	/nfs/dbraw/zinc/85/34/81/599853481.db2.gz	YTXXVZVOVNTZSP-UHFFFAOYSA-N	-2	1	391.423	3.659	20	10		GHCDML
CC[C@@H](C)N(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000855145677	880297710	/nfs/dbraw/zinc/29/77/10/880297710.db2.gz	NSRPZDFDGCBVTL-GFCCVEGCSA-N	-2	1	382.507	3.515	20	10		GHCDML
CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000772874611	899213867	/nfs/dbraw/zinc/21/38/67/899213867.db2.gz	YNJUTYMKLNDMPI-OCCSQVGLSA-N	-2	1	394.518	3.658	20	10		GHCDML
C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C(C)(C)C1	ZINC000271212555	910819269	/nfs/dbraw/zinc/81/92/69/910819269.db2.gz	AFKNGADWASPQHJ-GFCCVEGCSA-N	-2	1	394.518	3.515	20	10		GHCDML
C[C@H]1CC[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000751068098	928011825	/nfs/dbraw/zinc/01/18/25/928011825.db2.gz	INOHSZLVUQBJQE-JOCQHMNTSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc(F)c([O-])c(F)c3)SC2=S)c1	ZINC000749886380	1047849898	/nfs/dbraw/zinc/84/98/98/1047849898.db2.gz	MGGVZTYNXVTXHU-AWNIVKPZSA-N	-2	1	393.392	3.774	20	10		GHCDML
CC(C)CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001440889978	1058650567	/nfs/dbraw/zinc/65/05/67/1058650567.db2.gz	JFMBCZLVDRAVAR-CYBMUJFWSA-N	-2	1	396.534	3.809	20	10		GHCDML
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1OC	ZINC000766892156	872061784	/nfs/dbraw/zinc/06/17/84/872061784.db2.gz	MRCZKDSHXRNPTD-UHFFFAOYSA-N	-2	1	378.233	3.517	20	10		GHCDML
COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])CC2	ZINC001599502168	997144128	/nfs/dbraw/zinc/14/41/28/997144128.db2.gz	UIGRJTBCUBMNGI-UHFFFAOYSA-N	-2	1	389.835	3.513	20	10		GHCDML
Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1	ZINC001260133727	1045390412	/nfs/dbraw/zinc/39/04/12/1045390412.db2.gz	VYLNMZZTNMOSHQ-UHFFFAOYSA-N	-2	1	393.262	3.812	20	10		GHCDML
CC1CCN(c2cccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])c2)CC1	ZINC000828303351	601847879	/nfs/dbraw/zinc/84/78/79/601847879.db2.gz	PFBUYHSAXAZOAO-UHFFFAOYSA-N	-2	1	392.452	3.561	20	10		GHCDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1Cl	ZINC000776748720	879913678	/nfs/dbraw/zinc/91/36/78/879913678.db2.gz	DCOQQAVYKAITMV-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cnc(Cl)c(Cl)c1	ZINC001188068947	915733206	/nfs/dbraw/zinc/73/32/06/915733206.db2.gz	INJIOQNLNQAWON-UHFFFAOYSA-N	-2	1	398.065	3.657	20	10		GHCDML
CC[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC001154791953	1032285345	/nfs/dbraw/zinc/28/53/45/1032285345.db2.gz	HEJPXCODLUQLBM-STQMWFEESA-N	-2	1	394.518	3.515	20	10		GHCDML
CCCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)C	ZINC000848291745	1056977436	/nfs/dbraw/zinc/97/74/36/1056977436.db2.gz	DCVWMJYNRBDJJQ-UHFFFAOYSA-N	-2	1	382.507	3.515	20	10		GHCDML
CC[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000177053929	835680919	/nfs/dbraw/zinc/68/09/19/835680919.db2.gz	UDZKNPKACARZJJ-ZDUSSCGKSA-N	-2	1	394.518	3.517	20	10		GHCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1	ZINC000776434264	876488641	/nfs/dbraw/zinc/48/86/41/876488641.db2.gz	BCONPZHMPHYXOQ-UHFFFAOYSA-N	-2	1	393.364	3.503	20	10		GHCDML
Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)s1	ZINC000776748765	879921817	/nfs/dbraw/zinc/92/18/17/879921817.db2.gz	GDLDBKHDBNEMNG-UHFFFAOYSA-N	-2	1	382.688	3.979	20	10		GHCDML
C[C@H]1CCC(C)(C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000854898218	880129498	/nfs/dbraw/zinc/12/94/98/880129498.db2.gz	SVUSWSHEIPXPRD-LBPRGKRZSA-N	-2	1	394.518	3.658	20	10		GHCDML
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000322851360	886225843	/nfs/dbraw/zinc/22/58/43/886225843.db2.gz	WEFVRSJQEGERBN-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1Cl	ZINC000323094386	886779857	/nfs/dbraw/zinc/77/98/57/886779857.db2.gz	KSGGSRXMPBEFRK-UHFFFAOYSA-N	-3	1	396.635	3.851	20	10		GHCDML
CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000187447760	893033387	/nfs/dbraw/zinc/03/33/87/893033387.db2.gz	SSQATUHRXMGKQN-IUODEOHRSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC[C@@]1(C)CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000759099266	930272980	/nfs/dbraw/zinc/27/29/80/930272980.db2.gz	MRTGPVVQEFVQTH-SFHVURJKSA-N	-2	1	394.518	3.517	20	10		GHCDML
O=S(=O)(Nc1ccc(O)cc1F)c1cc(Br)c(Cl)s1	ZINC001260490263	1045513824	/nfs/dbraw/zinc/51/38/24/1045513824.db2.gz	AGMUXPPZUZRQJJ-UHFFFAOYSA-N	-2	1	386.651	3.810	20	10		GHCDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1	ZINC000738276902	600659315	/nfs/dbraw/zinc/65/93/15/600659315.db2.gz	KJAAGJWZHUMPMG-UHFFFAOYSA-N	-2	1	388.489	3.730	20	10		GHCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000768507328	601493133	/nfs/dbraw/zinc/49/31/33/601493133.db2.gz	FRQMHTDZBYNWJT-UHFFFAOYSA-N	-2	1	383.853	3.976	20	10		GHCDML
CC[C@@](C)(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000855881491	880835989	/nfs/dbraw/zinc/83/59/89/880835989.db2.gz	ZJGBHDKVJCSIEA-GOSISDBHSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC1(C)CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000751060932	928008421	/nfs/dbraw/zinc/00/84/21/928008421.db2.gz	RBXUADCUAURBAH-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
C[C@@H](Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)C1=CC=C[CH]1	ZINC001228193890	1032834070	/nfs/dbraw/zinc/83/40/70/1032834070.db2.gz	NPAXRNFLSHDTLT-BLVKFPJESA-N	-2	1	379.388	3.978	20	10		GHCDML
Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000834897273	1021641693	/nfs/dbraw/zinc/64/16/93/1021641693.db2.gz	ZDHINXLHDFCNOU-NSHDSACASA-N	-2	1	397.353	3.960	20	10		GHCDML
O=C(NCc1cccc(Br)c1[O-])c1ccc2oc(=S)[n-]c2c1	ZINC001139974787	1026771629	/nfs/dbraw/zinc/77/16/29/1026771629.db2.gz	MRMBCRZTMSLUQW-UHFFFAOYSA-N	-2	1	379.235	3.515	20	10		GHCDML
O=C(Nc1ccsc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177166631	836025371	/nfs/dbraw/zinc/02/53/71/836025371.db2.gz	AKDLWENKLDKTLQ-UHFFFAOYSA-N	-2	1	380.472	3.568	20	10		GHCDML
C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769601753	874188567	/nfs/dbraw/zinc/18/85/67/874188567.db2.gz	KKCNFQICNDHQID-DOMZBBRYSA-N	-2	1	394.518	3.563	20	10		GHCDML
CN(CCC(C)(C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000844011754	900449321	/nfs/dbraw/zinc/44/93/21/900449321.db2.gz	BWLWWEBSYHTRHS-UHFFFAOYSA-N	-2	1	396.534	3.763	20	10		GHCDML
CCC1(CC)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000293812798	916399495	/nfs/dbraw/zinc/39/94/95/916399495.db2.gz	AKUCZZPHTLNJSJ-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
COc1c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cccc1C(=O)[O-]	ZINC001211036211	1027763188	/nfs/dbraw/zinc/76/31/88/1027763188.db2.gz	COAODRGZUFSBJJ-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
CC(C)(C)[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001336354777	1052263037	/nfs/dbraw/zinc/26/30/37/1052263037.db2.gz	DCYYBWSQNYGJSR-OAHLLOKOSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1oc(C[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cc1C(=O)[O-]	ZINC000738967563	599853735	/nfs/dbraw/zinc/85/37/35/599853735.db2.gz	YRTVFDRQNVYSTG-UHFFFAOYSA-N	-2	1	395.411	3.560	20	10		GHCDML
Cc1oc(C[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])cc1C(=O)[O-]	ZINC000738967563	599853737	/nfs/dbraw/zinc/85/37/37/599853737.db2.gz	YRTVFDRQNVYSTG-UHFFFAOYSA-N	-2	1	395.411	3.560	20	10		GHCDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000323624287	862525140	/nfs/dbraw/zinc/52/51/40/862525140.db2.gz	OJOJFCUEBIIBCK-UHFFFAOYSA-N	-3	1	376.217	3.506	20	10		GHCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21	ZINC001193863217	871363607	/nfs/dbraw/zinc/36/36/07/871363607.db2.gz	IVRKSVCQKUIGGQ-UHFFFAOYSA-N	-2	1	389.404	3.580	20	10		GHCDML
C[C@@H]1CCC(C)(C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000854898217	880129272	/nfs/dbraw/zinc/12/92/72/880129272.db2.gz	SVUSWSHEIPXPRD-GFCCVEGCSA-N	-2	1	394.518	3.658	20	10		GHCDML
Cc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])c1	ZINC000748010375	894023494	/nfs/dbraw/zinc/02/34/94/894023494.db2.gz	MATRCYQUTUORSH-UHFFFAOYSA-N	-2	1	388.470	3.815	20	10		GHCDML
CC(C)CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001440889979	1058651233	/nfs/dbraw/zinc/65/12/33/1058651233.db2.gz	JFMBCZLVDRAVAR-ZDUSSCGKSA-N	-2	1	396.534	3.809	20	10		GHCDML
CCC[C@@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001472240008	1073379424	/nfs/dbraw/zinc/37/94/24/1073379424.db2.gz	SXFFSDMSXMQGCB-CQSZACIVSA-N	-2	1	394.518	3.659	20	10		GHCDML
O=C(Nc1cccc(F)c1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177013195	835475511	/nfs/dbraw/zinc/47/55/11/835475511.db2.gz	PSAUBGREYOCUSJ-UHFFFAOYSA-N	-2	1	392.433	3.646	20	10		GHCDML
CC[C@](C)(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000855881493	880836475	/nfs/dbraw/zinc/83/64/75/880836475.db2.gz	ZJGBHDKVJCSIEA-SFHVURJKSA-N	-2	1	394.518	3.563	20	10		GHCDML
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1C	ZINC000821163097	897770833	/nfs/dbraw/zinc/77/08/33/897770833.db2.gz	FWBGQXDPEKEGPB-UHFFFAOYSA-N	-2	1	384.404	3.518	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)c(F)cc1Br	ZINC001186719475	914775721	/nfs/dbraw/zinc/77/57/21/914775721.db2.gz	AXFNLNJPOFFDKN-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
CCCCC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001290692936	1049902485	/nfs/dbraw/zinc/90/24/85/1049902485.db2.gz	ZVAHQZARYOEFKL-CYBMUJFWSA-N	-2	1	396.534	3.953	20	10		GHCDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCC(C)CC2)c1	ZINC000738546414	600659358	/nfs/dbraw/zinc/65/93/58/600659358.db2.gz	ZOPYAYFDPXFYRG-UHFFFAOYSA-N	-2	1	388.489	3.730	20	10		GHCDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])c1ccccc1	ZINC000093900225	912507930	/nfs/dbraw/zinc/50/79/30/912507930.db2.gz	QSMXJYGDTRTPMP-UHFFFAOYSA-N	-2	1	388.470	3.531	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(Br)ccc1F	ZINC000776748793	879923289	/nfs/dbraw/zinc/92/32/89/879923289.db2.gz	HJHMHKAQPXMAMQ-UHFFFAOYSA-N	-2	1	380.622	3.748	20	10		GHCDML
O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc21	ZINC000808114175	886027243	/nfs/dbraw/zinc/02/72/43/886027243.db2.gz	UBBWNAJYEZCTOA-UHFFFAOYSA-N	-2	1	390.219	3.768	20	10		GHCDML
O=S(=O)([N-]c1nccs1)c1cccc(NCc2cccc(Cl)c2[O-])c1	ZINC000809685014	887702635	/nfs/dbraw/zinc/70/26/35/887702635.db2.gz	WGPWWHYUULOJET-UHFFFAOYSA-N	-2	1	395.893	3.915	20	10		GHCDML
CC[C@H](C)C[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001444696831	1059363977	/nfs/dbraw/zinc/36/39/77/1059363977.db2.gz	SVZSZHUJJPKNFV-STQMWFEESA-N	-2	1	396.534	3.809	20	10		GHCDML
Cc1cscc1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000770086804	874448938	/nfs/dbraw/zinc/44/89/38/874448938.db2.gz	JBJGMASQLFOAEZ-UHFFFAOYSA-N	-2	1	394.499	3.877	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)c(Br)cc1F	ZINC000776749058	879913903	/nfs/dbraw/zinc/91/39/03/879913903.db2.gz	VVYFHAIBOOUYFI-UHFFFAOYSA-N	-2	1	398.612	3.887	20	10		GHCDML
CCC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCC1	ZINC000752824158	929042211	/nfs/dbraw/zinc/04/22/11/929042211.db2.gz	IQDTWDLLGBZOGD-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
COCc1cc(NCc2cc(Br)cc(F)c2[O-])cc(C(=O)[O-])c1	ZINC001599290033	997049616	/nfs/dbraw/zinc/04/96/16/997049616.db2.gz	YBOCDYHUQLUHSO-UHFFFAOYSA-N	-2	1	384.201	3.751	20	10		GHCDML
C[C@H](Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)C1=CC=C[CH]1	ZINC001228193892	1032834161	/nfs/dbraw/zinc/83/41/61/1032834161.db2.gz	NPAXRNFLSHDTLT-BUXKBTBVSA-N	-2	1	379.388	3.978	20	10		GHCDML
CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001444696797	1059363152	/nfs/dbraw/zinc/36/31/52/1059363152.db2.gz	SVZSZHUJJPKNFV-CHWSQXEVSA-N	-2	1	396.534	3.809	20	10		GHCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000013463998	838818433	/nfs/dbraw/zinc/81/84/33/838818433.db2.gz	SEDXUTSVEGQXOX-UHFFFAOYSA-N	-2	1	395.742	3.563	20	10		GHCDML
CCN(CCC1CC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000760982074	856965066	/nfs/dbraw/zinc/96/50/66/856965066.db2.gz	IBTRXKOPWSASLH-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1F	ZINC000120438080	888239576	/nfs/dbraw/zinc/23/95/76/888239576.db2.gz	SDHZNRZYYUBELX-UHFFFAOYSA-N	-2	1	393.223	3.597	20	10		GHCDML
CCN(CC(C)(C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000794911132	888831328	/nfs/dbraw/zinc/83/13/28/888831328.db2.gz	SWDIXGDXWOOPTF-UHFFFAOYSA-N	-2	1	396.534	3.763	20	10		GHCDML
C[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@@H]1C	ZINC000091743780	911250677	/nfs/dbraw/zinc/25/06/77/911250677.db2.gz	XPHINGYAKJOVAU-CHWSQXEVSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1C(=O)[O-]	ZINC000738743414	600757127	/nfs/dbraw/zinc/75/71/27/600757127.db2.gz	DTWIYWXKRYMLQH-UHFFFAOYSA-N	-2	1	388.489	3.874	20	10		GHCDML
CC1(C)CC[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000768888140	873649051	/nfs/dbraw/zinc/64/90/51/873649051.db2.gz	KMAXRGLHPIQXJS-CYBMUJFWSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=C(NCC1CCCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748013739	894064893	/nfs/dbraw/zinc/06/48/93/894064893.db2.gz	OHFYMNLUXPNAKJ-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
CC[C@H](C)CN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000131146827	897337181	/nfs/dbraw/zinc/33/71/81/897337181.db2.gz	FXVBLALWGDQPTP-ZDUSSCGKSA-N	-2	1	396.534	3.763	20	10		GHCDML
COc1cc(C(=O)[O-])ccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O	ZINC001174677404	907143254	/nfs/dbraw/zinc/14/32/54/907143254.db2.gz	XAVMGWMBYATKBW-UHFFFAOYSA-N	-2	1	389.363	3.618	20	10		GHCDML
CC1(C)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1(C)C	ZINC001319117564	1055045669	/nfs/dbraw/zinc/04/56/69/1055045669.db2.gz	VYYZEFUYMMYHRJ-UHFFFAOYSA-N	-2	1	394.518	3.515	20	10		GHCDML
CCC(C)(C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000094157424	834728530	/nfs/dbraw/zinc/72/85/30/834728530.db2.gz	ARLABYVOCLKWCU-UHFFFAOYSA-N	-2	1	382.507	3.515	20	10		GHCDML
CC1(C)CCC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769958193	874364236	/nfs/dbraw/zinc/36/42/36/874364236.db2.gz	QFEKWIQCZUWONG-OAHLLOKOSA-N	-2	1	394.518	3.563	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ncccc1OCc1ccccc1	ZINC001201896335	875911586	/nfs/dbraw/zinc/91/15/86/875911586.db2.gz	KRONEFRPEDFCAG-UHFFFAOYSA-N	-2	1	390.848	3.820	20	10		GHCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(Cl)cc1Cl	ZINC000322759339	886121718	/nfs/dbraw/zinc/12/17/18/886121718.db2.gz	BZQRFWVNHQQKDI-UHFFFAOYSA-N	-3	1	396.635	3.851	20	10		GHCDML
O=C([O-])c1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1F	ZINC001210242498	1027399836	/nfs/dbraw/zinc/39/98/36/1027399836.db2.gz	LZHGIQWWICGTSW-UHFFFAOYSA-N	-2	1	377.327	3.749	20	10		GHCDML
CC[C@H]1CC[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000772874609	899214465	/nfs/dbraw/zinc/21/44/65/899214465.db2.gz	YNJUTYMKLNDMPI-JSGCOSHPSA-N	-2	1	394.518	3.658	20	10		GHCDML
CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@H](C)C(C)C	ZINC000848100154	1056624907	/nfs/dbraw/zinc/62/49/07/1056624907.db2.gz	KBJPNSZUBBWTKC-CYBMUJFWSA-N	-2	1	396.534	3.761	20	10		GHCDML
CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@@H](C)C(C)C	ZINC000848100155	1056625341	/nfs/dbraw/zinc/62/53/41/1056625341.db2.gz	KBJPNSZUBBWTKC-ZDUSSCGKSA-N	-2	1	396.534	3.761	20	10		GHCDML
CCC[C@H](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001471610627	1073158189	/nfs/dbraw/zinc/15/81/89/1073158189.db2.gz	JRCBRFGBJXRBFL-ZDUSSCGKSA-N	-2	1	396.534	3.811	20	10		GHCDML
C[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000177124500	835999850	/nfs/dbraw/zinc/99/98/50/835999850.db2.gz	FJZRAVCNZCOHPS-ZDUSSCGKSA-N	-2	1	394.518	3.517	20	10		GHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(c1)OCCCO2	ZINC000766891342	872060894	/nfs/dbraw/zinc/06/08/94/872060894.db2.gz	FZZYMIXLMOESTH-UHFFFAOYSA-N	-2	1	390.244	3.661	20	10		GHCDML
CCN(CC1CCC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000794284697	882672401	/nfs/dbraw/zinc/67/24/01/882672401.db2.gz	QGAAXUJZDCTJBN-UHFFFAOYSA-N	-2	1	394.518	3.517	20	10		GHCDML
C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769601755	874188229	/nfs/dbraw/zinc/18/82/29/874188229.db2.gz	KKCNFQICNDHQID-IUODEOHRSA-N	-2	1	394.518	3.563	20	10		GHCDML
CC[C@H](C)N(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000855145678	880298276	/nfs/dbraw/zinc/29/82/76/880298276.db2.gz	NSRPZDFDGCBVTL-LBPRGKRZSA-N	-2	1	382.507	3.515	20	10		GHCDML
O=C(NCCC1CCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751059877	928007814	/nfs/dbraw/zinc/00/78/14/928007814.db2.gz	MXSIHTUXOFTRHV-UHFFFAOYSA-N	-2	1	394.518	3.565	20	10		GHCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000755983585	978697313	/nfs/dbraw/zinc/69/73/13/978697313.db2.gz	GXRGSQIQLQAETE-UHFFFAOYSA-N	-2	1	381.425	3.771	20	10		GHCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000792702749	881628463	/nfs/dbraw/zinc/62/84/63/881628463.db2.gz	YOYVNEVJMCCGHO-UHFFFAOYSA-N	-2	1	381.475	3.737	20	10		GHCDML
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000179541467	877694436	/nfs/dbraw/zinc/69/44/36/877694436.db2.gz	QZPPEQGXDDXQCO-CHWSQXEVSA-N	-2	1	394.518	3.658	20	10		GHCDML
O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1Cl	ZINC000322838886	886207017	/nfs/dbraw/zinc/20/70/17/886207017.db2.gz	PNBWQUIYHJADSB-UHFFFAOYSA-N	-2	1	396.635	3.851	20	10		GHCDML
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C	ZINC000773252629	904614874	/nfs/dbraw/zinc/61/48/74/904614874.db2.gz	VSIASNGFWLLSPL-UHFFFAOYSA-N	-2	1	383.491	3.813	20	10		GHCDML
COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)c1	ZINC001189605889	916770329	/nfs/dbraw/zinc/77/03/29/916770329.db2.gz	FSNDHRPHZWVFNV-UHFFFAOYSA-N	-2	1	392.658	3.618	20	10		GHCDML
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000833420618	604863962	/nfs/dbraw/zinc/86/39/62/604863962.db2.gz	WQRXNNFYYYDUJU-MRXNPFEDSA-N	-2	1	397.471	3.652	20	10		GHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(OC(F)(F)F)c1F	ZINC000793416163	882155462	/nfs/dbraw/zinc/15/54/62/882155462.db2.gz	QNVYWHVYPHVJEL-UHFFFAOYSA-N	-2	1	385.722	3.884	20	10		GHCDML
C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000179673282	877825376	/nfs/dbraw/zinc/82/53/76/877825376.db2.gz	GIBAITKPEMVHEJ-QWHCGFSZSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000773251015	904617819	/nfs/dbraw/zinc/61/78/19/904617819.db2.gz	HICXWEMQBOVCRH-UHFFFAOYSA-N	-2	1	389.882	3.904	20	10		GHCDML
C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C(C)(C)C1	ZINC000271212557	910819290	/nfs/dbraw/zinc/81/92/90/910819290.db2.gz	AFKNGADWASPQHJ-LBPRGKRZSA-N	-2	1	394.518	3.515	20	10		GHCDML
CC(C)[C@@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271219915	910822324	/nfs/dbraw/zinc/82/23/24/910822324.db2.gz	FURUCXJYGOCUPE-HNNXBMFYSA-N	-2	1	394.518	3.515	20	10		GHCDML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753015948	929159407	/nfs/dbraw/zinc/15/94/07/929159407.db2.gz	FSWSJXGTPBBUCM-UHFFFAOYSA-N	-2	1	378.194	3.542	20	10		GHCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1[O-]	ZINC000777648693	932721841	/nfs/dbraw/zinc/72/18/41/932721841.db2.gz	BTTHUVMTULEWQJ-UHFFFAOYSA-N	-2	1	396.730	3.773	20	10		GHCDML
C[C@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2)C1=CC=C[CH]1	ZINC001228193895	1032834295	/nfs/dbraw/zinc/83/42/95/1032834295.db2.gz	NPAXRNFLSHDTLT-HXPMCKFVSA-N	-2	1	379.388	3.978	20	10		GHCDML
O=C(NCc1cccc(Br)c1[O-])c1ccc2[n-]c(=S)oc2c1	ZINC000765751921	1068121211	/nfs/dbraw/zinc/12/12/11/1068121211.db2.gz	ABZSULRHTYYDKT-UHFFFAOYSA-N	-2	1	379.235	3.515	20	10		GHCDML
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCCCC2)c1	ZINC000740146685	600757868	/nfs/dbraw/zinc/75/78/68/600757868.db2.gz	UMCBWALYCVEATF-UHFFFAOYSA-N	-2	1	392.452	3.705	20	10		GHCDML