smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000758773035	736519885	/nfs/dbraw/zinc/51/98/85/736519885.db2.gz	GGNPLZQYVMOZCO-UHFFFAOYSA-N	-2	1	369.782	2.747	20	10		FFCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000790411742	739449768	/nfs/dbraw/zinc/44/97/68/739449768.db2.gz	QBORADALECIRID-UHFFFAOYSA-N	-2	1	365.407	2.907	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000792702725	739695895	/nfs/dbraw/zinc/69/58/95/739695895.db2.gz	YEUXUZOQRBLVCH-UHFFFAOYSA-N	-2	1	370.408	2.837	20	10		FFCDML
O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ncc(F)cc1F	ZINC001190182170	1007508134	/nfs/dbraw/zinc/50/81/34/1007508134.db2.gz	UYDRANCMXXYJQZ-UHFFFAOYSA-N	-2	1	365.155	2.629	20	10		FFCDML
C[C@H](O)CCCC(=O)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234750151	1037166343	/nfs/dbraw/zinc/16/63/43/1037166343.db2.gz	ZOVPXQIPIFXCOY-VIFPVBQESA-N	-2	1	374.345	2.520	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000766048468	737186511	/nfs/dbraw/zinc/18/65/11/737186511.db2.gz	SZOVOMNRRUAKSI-UHFFFAOYSA-N	-2	1	363.391	2.711	20	10		FFCDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1F	ZINC000328114830	971447726	/nfs/dbraw/zinc/44/77/26/971447726.db2.gz	ZKINTYYEACNFKR-UHFFFAOYSA-N	-2	1	364.398	2.925	20	10		FFCDML
COc1cc(CNC(=O)NCc2cccc(Cl)c2[O-])ccc1C(=O)[O-]	ZINC001599410697	997416138	/nfs/dbraw/zinc/41/61/38/997416138.db2.gz	CMTDYXRBTUTPHV-UHFFFAOYSA-N	-2	1	364.785	2.752	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1F	ZINC000327166467	601361059	/nfs/dbraw/zinc/36/10/59/601361059.db2.gz	XZFQFXJNCFOCAT-UHFFFAOYSA-N	-2	1	364.398	2.925	20	10		FFCDML
O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000833211147	604983702	/nfs/dbraw/zinc/98/37/02/604983702.db2.gz	TZSVONATWMVTTJ-AWEZNQCLSA-N	-2	1	355.390	2.768	20	10		FFCDML
O=C([O-])C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000833211147	604983704	/nfs/dbraw/zinc/98/37/04/604983704.db2.gz	TZSVONATWMVTTJ-AWEZNQCLSA-N	-2	1	355.390	2.768	20	10		FFCDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753015584	736031119	/nfs/dbraw/zinc/03/11/19/736031119.db2.gz	OCIUYWBBZPNDIA-UHFFFAOYSA-N	-3	1	357.334	2.732	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000792702678	739695499	/nfs/dbraw/zinc/69/54/99/739695499.db2.gz	CWOURTKOPTZLAQ-UHFFFAOYSA-N	-2	1	356.381	2.529	20	10		FFCDML
CC(C)C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000818627793	742286098	/nfs/dbraw/zinc/28/60/98/742286098.db2.gz	NDKCUJNMJUQXOO-LLVKDONJSA-N	-2	1	373.247	2.701	20	10		FFCDML
O=C([O-])c1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1	ZINC001601542360	971013016	/nfs/dbraw/zinc/01/30/16/971013016.db2.gz	WPNNQGQXOKTPBP-UHFFFAOYSA-N	-2	1	366.171	2.570	20	10		FFCDML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1	ZINC001187589958	1006145406	/nfs/dbraw/zinc/14/54/06/1006145406.db2.gz	WBPYXCAJDFWYEJ-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
O=C1Cc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])ccc2N1	ZINC001251418846	1039122576	/nfs/dbraw/zinc/12/25/76/1039122576.db2.gz	MEVFHADWONEUAC-UHFFFAOYSA-N	-2	1	373.217	2.994	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1	ZINC001259524250	1040089967	/nfs/dbraw/zinc/08/99/67/1040089967.db2.gz	INGAKTRIRGNIDJ-UHFFFAOYSA-N	-2	1	353.371	2.736	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1F	ZINC001200811280	1059610938	/nfs/dbraw/zinc/61/09/38/1059610938.db2.gz	RPFAJLODBYNXFA-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC000293875864	510883291	/nfs/dbraw/zinc/88/32/91/510883291.db2.gz	AZCFWAKLSKVAEZ-QWRGUYRKSA-N	-2	1	366.464	2.735	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000013463991	727816628	/nfs/dbraw/zinc/81/66/28/727816628.db2.gz	FEXIMMPNQPSVQI-UHFFFAOYSA-N	-2	1	361.297	2.910	20	10		FFCDML
CN(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000322828197	845803185	/nfs/dbraw/zinc/80/31/85/845803185.db2.gz	FNSLEOOYBPEBML-UHFFFAOYSA-N	-2	1	354.815	2.905	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC001196384559	1003755854	/nfs/dbraw/zinc/75/58/54/1003755854.db2.gz	QJTQHHLUXZLZGZ-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
Cc1nnc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cn12	ZINC001251398395	1039111133	/nfs/dbraw/zinc/11/11/33/1039111133.db2.gz	OGEBTSQKDMPISD-UHFFFAOYSA-N	-2	1	373.221	2.851	20	10		FFCDML
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1cc(C)ccc1C	ZINC001254794065	1040961138	/nfs/dbraw/zinc/96/11/38/1040961138.db2.gz	LLRPVILTEVNQSX-UHFFFAOYSA-N	-2	1	353.371	2.736	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC001254794065	1040961157	/nfs/dbraw/zinc/96/11/57/1040961157.db2.gz	LLRPVILTEVNQSX-UHFFFAOYSA-N	-2	1	353.371	2.736	20	10		FFCDML
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000322871542	729754197	/nfs/dbraw/zinc/75/41/97/729754197.db2.gz	GQCNMLWRVHAKMN-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
C[C@H]1C[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748026719	735609712	/nfs/dbraw/zinc/60/97/12/735609712.db2.gz	CXWMCRHOHGRHJR-WDEREUQCSA-N	-2	1	366.464	2.640	20	10		FFCDML
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1F	ZINC000753020274	736031600	/nfs/dbraw/zinc/03/16/00/736031600.db2.gz	PRSWDSBWSCRHNI-UHFFFAOYSA-N	-2	1	360.313	2.569	20	10		FFCDML
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)s1	ZINC000776750457	738229256	/nfs/dbraw/zinc/22/92/56/738229256.db2.gz	DUPDUBRJMXZHPE-UHFFFAOYSA-N	-2	1	361.832	2.570	20	10		FFCDML
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808115542	741188526	/nfs/dbraw/zinc/18/85/26/741188526.db2.gz	IEZCWIJTJOHKFH-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCOC[C@H]3F)c1C2=O	ZINC001227993362	1035856078	/nfs/dbraw/zinc/85/60/78/1035856078.db2.gz	BERVLCHLOVPSBI-UKRRQHHQSA-N	-2	1	372.348	2.687	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC001260694734	1040728874	/nfs/dbraw/zinc/72/88/74/1040728874.db2.gz	KHKJTCKUIIVUGI-UHFFFAOYSA-N	-2	1	373.789	2.913	20	10		FFCDML
O=C([O-])[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738718383	600421485	/nfs/dbraw/zinc/42/14/85/600421485.db2.gz	FUFHKLQXAFRFCY-CQSZACIVSA-N	-2	1	355.390	2.625	20	10		FFCDML
O=C([O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738718383	600421488	/nfs/dbraw/zinc/42/14/88/600421488.db2.gz	FUFHKLQXAFRFCY-CQSZACIVSA-N	-2	1	355.390	2.625	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000792703216	739696014	/nfs/dbraw/zinc/69/60/14/739696014.db2.gz	QLJSLJQNNCJCMG-UHFFFAOYSA-N	-2	1	369.420	2.627	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1O	ZINC000797819290	740275763	/nfs/dbraw/zinc/27/57/63/740275763.db2.gz	DIALUXVVIROWLQ-UHFFFAOYSA-N	-2	1	357.771	2.553	20	10		FFCDML
C[C@@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804854457	740910536	/nfs/dbraw/zinc/91/05/36/740910536.db2.gz	HRCNOGDERZUWJO-MFKMUULPSA-N	-2	1	366.464	2.783	20	10		FFCDML
O=C1NCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])ccc21	ZINC001251419130	1039122426	/nfs/dbraw/zinc/12/24/26/1039122426.db2.gz	VNIDYGXWUINSRH-UHFFFAOYSA-N	-2	1	373.217	2.743	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C	ZINC001258926954	1039591455	/nfs/dbraw/zinc/59/14/55/1039591455.db2.gz	RELVARUIUKZAFF-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1F	ZINC001259637814	1040125255	/nfs/dbraw/zinc/12/52/55/1040125255.db2.gz	URFGRKSURBRDLT-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CCC1	ZINC000091683875	508001464	/nfs/dbraw/zinc/00/14/64/508001464.db2.gz	ALJHAXWFOXYDPV-UHFFFAOYSA-N	-2	1	366.464	2.879	20	10		FFCDML
CCn1ncc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc21	ZINC000753017231	736031105	/nfs/dbraw/zinc/03/11/05/736031105.db2.gz	SGNHLDCJHKFNOX-UHFFFAOYSA-N	-2	1	353.350	2.841	20	10		FFCDML
CCO[C@@H](C)COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O	ZINC001227993335	1035857661	/nfs/dbraw/zinc/85/76/61/1035857661.db2.gz	APEAZWREHOQAES-NSHDSACASA-N	-2	1	356.374	2.985	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC001256804906	1038623485	/nfs/dbraw/zinc/62/34/85/1038623485.db2.gz	YZDJVVOVXDDIQJ-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
Cn1nnc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])ccc21	ZINC001251419231	1039122450	/nfs/dbraw/zinc/12/24/50/1039122450.db2.gz	XBPPUSCZBRRMJT-UHFFFAOYSA-N	-2	1	373.221	2.782	20	10		FFCDML
CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000093923836	508161315	/nfs/dbraw/zinc/16/13/15/508161315.db2.gz	IGBQHXVPWQSGJO-UHFFFAOYSA-N	-2	1	366.464	2.879	20	10		FFCDML
O=c1ccc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])ccc2o1	ZINC000753015519	736031161	/nfs/dbraw/zinc/03/11/61/736031161.db2.gz	NLRIAHPUWHXVII-UHFFFAOYSA-N	-2	1	353.302	2.578	20	10		FFCDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775286340	738078509	/nfs/dbraw/zinc/07/85/09/738078509.db2.gz	PPDVHDXOZUERBB-UHFFFAOYSA-N	-2	1	367.339	2.626	20	10		FFCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1[O-]	ZINC000775288113	738078907	/nfs/dbraw/zinc/07/89/07/738078907.db2.gz	KUOLHUKLHAALLF-UHFFFAOYSA-N	-2	1	373.730	2.663	20	10		FFCDML
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1	ZINC000833295478	601848088	/nfs/dbraw/zinc/84/80/88/601848088.db2.gz	YFKMKSRJSFOZPM-UHFFFAOYSA-N	-2	1	364.398	2.925	20	10		FFCDML
CC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176936470	729124005	/nfs/dbraw/zinc/12/40/05/729124005.db2.gz	LBKDKCVRLMZDKR-JTQLQIEISA-N	-2	1	354.453	2.783	20	10		FFCDML
O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000872353551	731754570	/nfs/dbraw/zinc/75/45/70/731754570.db2.gz	LODQDYBKEPVFKZ-ZDUSSCGKSA-N	-2	1	371.361	2.639	20	10		FFCDML
C[C@@H]1C[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748026716	735609699	/nfs/dbraw/zinc/60/96/99/735609699.db2.gz	CXWMCRHOHGRHJR-GHMZBOCLSA-N	-2	1	366.464	2.640	20	10		FFCDML
Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c(C)c1O	ZINC000775291835	738079712	/nfs/dbraw/zinc/07/97/12/738079712.db2.gz	PUHOWVOLMPMALR-UHFFFAOYSA-N	-2	1	353.371	2.956	20	10		FFCDML
O=C(N[C@@H]1CC12CC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000819627891	742416372	/nfs/dbraw/zinc/41/63/72/742416372.db2.gz	ZJMOMCGFEFHNIQ-CYBMUJFWSA-N	-2	1	364.448	2.537	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OCCOC(C)C)c1C2=O	ZINC001227994689	1035859398	/nfs/dbraw/zinc/85/93/98/1035859398.db2.gz	PUIWONFTXPDHQS-UHFFFAOYSA-N	-2	1	356.374	2.985	20	10		FFCDML
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1ccc2c(c1)CCC2	ZINC001259861568	1040251582	/nfs/dbraw/zinc/25/15/82/1040251582.db2.gz	SWSAMVIWYKKGLZ-UHFFFAOYSA-N	-2	1	365.382	2.607	20	10		FFCDML
Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1C(=O)[O-]	ZINC000535594985	516415281	/nfs/dbraw/zinc/41/52/81/516415281.db2.gz	OVCZKBZYNPSRRD-UHFFFAOYSA-N	-2	1	367.383	2.638	20	10		FFCDML
CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176936453	729123843	/nfs/dbraw/zinc/12/38/43/729123843.db2.gz	LBKDKCVRLMZDKR-SNVBAGLBSA-N	-2	1	354.453	2.783	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000792701853	739695403	/nfs/dbraw/zinc/69/54/03/739695403.db2.gz	DLBVZRWFEUBOOK-UHFFFAOYSA-N	-2	1	357.384	2.752	20	10		FFCDML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1	ZINC001187582063	1006164117	/nfs/dbraw/zinc/16/41/17/1006164117.db2.gz	NKTBREZYHGOWNO-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000757653719	736416487	/nfs/dbraw/zinc/41/64/87/736416487.db2.gz	CMMVVCSTHCAGLO-UHFFFAOYSA-N	-2	1	363.391	2.730	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000765771273	737156929	/nfs/dbraw/zinc/15/69/29/737156929.db2.gz	YQNFTDSXZOACAK-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)ccc1O	ZINC000797820188	740276218	/nfs/dbraw/zinc/27/62/18/740276218.db2.gz	KNSGJEHDSQKILA-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
CCON(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000831467755	745533521	/nfs/dbraw/zinc/53/35/21/745533521.db2.gz	YZHDTKKAFACLDZ-UHFFFAOYSA-N	-2	1	370.452	2.668	20	10		FFCDML
CC[C@H](COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O)OC	ZINC001227994667	1035860451	/nfs/dbraw/zinc/86/04/51/1035860451.db2.gz	PGPFGINLDSCRMT-GFCCVEGCSA-N	-2	1	356.374	2.985	20	10		FFCDML
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc([O-])c(F)c1F)C(=O)C2	ZINC001258972467	1039628134	/nfs/dbraw/zinc/62/81/34/1039628134.db2.gz	CTIMBZLVEXEYTG-FVMDXXJSSA-N	-2	1	359.394	2.808	20	10		FFCDML
C[C@@H]1[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000293875867	510883581	/nfs/dbraw/zinc/88/35/81/510883581.db2.gz	AZCFWAKLSKVAEZ-WDEREUQCSA-N	-2	1	366.464	2.735	20	10		FFCDML
O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000833211149	604983677	/nfs/dbraw/zinc/98/36/77/604983677.db2.gz	TZSVONATWMVTTJ-CQSZACIVSA-N	-2	1	355.390	2.768	20	10		FFCDML
O=C([O-])C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000833211149	604983679	/nfs/dbraw/zinc/98/36/79/604983679.db2.gz	TZSVONATWMVTTJ-CQSZACIVSA-N	-2	1	355.390	2.768	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl	ZINC000753016082	736031192	/nfs/dbraw/zinc/03/11/92/736031192.db2.gz	OVHQARKCSWHWFA-UHFFFAOYSA-N	-3	1	363.725	2.823	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1	ZINC000766048283	737186360	/nfs/dbraw/zinc/18/63/60/737186360.db2.gz	QOYAZIPYFMWYGY-UHFFFAOYSA-N	-2	1	367.354	2.541	20	10		FFCDML
O=S(=O)([N-]c1ccc(O)cc1O)c1cc(Cl)c([O-])c(Cl)c1	ZINC001260866695	1040857962	/nfs/dbraw/zinc/85/79/62/1040857962.db2.gz	FQLIFMKDXBHYSL-UHFFFAOYSA-N	-2	1	350.179	2.911	20	10		FFCDML
CC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001337050244	1054440567	/nfs/dbraw/zinc/44/05/67/1054440567.db2.gz	KUBPRISNBLLPCL-UHFFFAOYSA-N	-2	1	352.437	2.537	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1O	ZINC000775283510	738078146	/nfs/dbraw/zinc/07/81/46/738078146.db2.gz	WKIDTSONZDXYJM-UHFFFAOYSA-N	-2	1	350.377	2.501	20	10		FFCDML
Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776433088	738193633	/nfs/dbraw/zinc/19/36/33/738193633.db2.gz	NCIYVOUFVFGAGB-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750707	738229417	/nfs/dbraw/zinc/22/94/17/738229417.db2.gz	JQUPFIAMNFFENX-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(OC)c1	ZINC000777648741	738310003	/nfs/dbraw/zinc/31/00/03/738310003.db2.gz	XDORAHAGNUUAHG-UHFFFAOYSA-N	-2	1	373.814	2.872	20	10		FFCDML
CCC(CC)(CNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000818627763	742285531	/nfs/dbraw/zinc/28/55/31/742285531.db2.gz	MOKISSNUUKVSAG-UHFFFAOYSA-N	-2	1	373.247	2.845	20	10		FFCDML
CC(C)S(=O)(=O)[N-]c1c(CC(=O)[O-])cccc1C(=O)c1ccccc1	ZINC001252522800	1039579312	/nfs/dbraw/zinc/57/93/12/1039579312.db2.gz	NEKFCWMJLRRMIY-UHFFFAOYSA-N	-2	1	361.419	2.695	20	10		FFCDML
O=C([O-])[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1	ZINC001574617882	1078037776	/nfs/dbraw/zinc/03/77/76/1078037776.db2.gz	XMDMCAQNAZUFPY-GFCCVEGCSA-N	-2	1	356.216	2.662	20	10		FFCDML
CN(CCCF)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000899815864	735556573	/nfs/dbraw/zinc/55/65/73/735556573.db2.gz	GDNBFIYPGXCZJD-UHFFFAOYSA-N	-2	1	372.443	2.686	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)ccc1O	ZINC000797820279	740276238	/nfs/dbraw/zinc/27/62/38/740276238.db2.gz	OXAUMGRHIREFRI-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1cc(F)cc(F)c1[O-]	ZINC000821156884	742595619	/nfs/dbraw/zinc/59/56/19/742595619.db2.gz	ABDJDMWVQAVJKR-UHFFFAOYSA-N	-2	1	369.324	2.796	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)ccc1Cl	ZINC001188313930	1006507524	/nfs/dbraw/zinc/50/75/24/1006507524.db2.gz	GXCGEGBFRQPBDZ-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)c1	ZINC001260189736	1040447767	/nfs/dbraw/zinc/44/77/67/1040447767.db2.gz	ASENFPOPGCKLLF-UHFFFAOYSA-N	-2	1	361.297	2.910	20	10		FFCDML
CCCN(Cc1ccccc1O)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000265869066	510272137	/nfs/dbraw/zinc/27/21/37/510272137.db2.gz	YNAMMHBSFHQRPD-UHFFFAOYSA-N	-2	1	368.393	2.502	20	10		FFCDML
O=C([O-])Nc1ccc(C(=O)NCCCSc2nccs2)c([O-])c1	ZINC000740699504	602866347	/nfs/dbraw/zinc/86/63/47/602866347.db2.gz	UXZMHXXHPONBND-UHFFFAOYSA-N	-2	1	353.425	2.851	20	10		FFCDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)cc1OC(C)C	ZINC000761995979	736780584	/nfs/dbraw/zinc/78/05/84/736780584.db2.gz	QGLLOBXSUOLRED-UHFFFAOYSA-N	-2	1	365.407	2.987	20	10		FFCDML
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C(=O)[O-]	ZINC000766047903	737186598	/nfs/dbraw/zinc/18/65/98/737186598.db2.gz	NAXNUPMJPGFAPR-UHFFFAOYSA-N	-2	1	363.391	2.656	20	10		FFCDML
O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000821163080	742596229	/nfs/dbraw/zinc/59/62/29/742596229.db2.gz	DTOCEDYOUFUWAD-UHFFFAOYSA-N	-2	1	369.374	2.990	20	10		FFCDML
C[C@@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000175260369	510558217	/nfs/dbraw/zinc/55/82/17/510558217.db2.gz	LYCJRGKIKFBKIE-LLVKDONJSA-N	-2	1	366.464	2.879	20	10		FFCDML
O=C([O-])Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c([O-])c1	ZINC000740701232	602854195	/nfs/dbraw/zinc/85/41/95/602854195.db2.gz	MWMIOJMIMUTQON-UHFFFAOYSA-N	-2	1	357.366	2.571	20	10		FFCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC=CCC1	ZINC000778996230	738427847	/nfs/dbraw/zinc/42/78/47/738427847.db2.gz	XHWFOMGTIWERCT-UHFFFAOYSA-N	-2	1	364.448	2.657	20	10		FFCDML
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000322769782	729753707	/nfs/dbraw/zinc/75/37/07/729753707.db2.gz	FLDRHTYRHWWHPO-UHFFFAOYSA-N	-3	1	363.725	2.823	20	10		FFCDML
COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)[O-]	ZINC000790382035	739445652	/nfs/dbraw/zinc/44/56/52/739445652.db2.gz	JBRIYNVTAUJKFA-UHFFFAOYSA-N	-2	1	357.771	2.553	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000792701878	739695349	/nfs/dbraw/zinc/69/53/49/739695349.db2.gz	FVPCGUKANXALOL-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1C(=O)[O-]	ZINC000792703238	739695859	/nfs/dbraw/zinc/69/58/59/739695859.db2.gz	RALBMBKWYSHYRJ-UHFFFAOYSA-N	-2	1	369.420	2.622	20	10		FFCDML
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000808115550	741188543	/nfs/dbraw/zinc/18/85/43/741188543.db2.gz	IPTMHDJBHUAMMB-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000013264883	845025754	/nfs/dbraw/zinc/02/57/54/845025754.db2.gz	LCYDUGJUPHAALO-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
CC/C=C\CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001468428545	1063985045	/nfs/dbraw/zinc/98/50/45/1063985045.db2.gz	HFLRZRJDIDLXML-ARJAWSKDSA-N	-2	1	366.464	2.951	20	10		FFCDML
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753016006	736031351	/nfs/dbraw/zinc/03/13/51/736031351.db2.gz	HWRMMTMZOFWVJQ-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
Cc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000776751178	738229884	/nfs/dbraw/zinc/22/98/84/738229884.db2.gz	PWQFDIFQYITDLC-UHFFFAOYSA-N	-3	1	359.762	2.992	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1s[n-]c(=O)c1Cl	ZINC001448959200	1058846077	/nfs/dbraw/zinc/84/60/77/1058846077.db2.gz	ARMMDDMGCPQKFA-UHFFFAOYSA-N	-2	1	363.620	2.900	20	10		FFCDML
O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1cc(F)cc(F)c1[O-]	ZINC000753022336	736032365	/nfs/dbraw/zinc/03/23/65/736032365.db2.gz	VMOCRAKCRAZHAJ-UHFFFAOYSA-N	-2	1	351.334	2.861	20	10		FFCDML
CC[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000798095031	740303489	/nfs/dbraw/zinc/30/34/89/740303489.db2.gz	DAITUIOMZXLBNS-ZWNOBZJWSA-N	-2	1	366.464	2.783	20	10		FFCDML
COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000811671018	741547007	/nfs/dbraw/zinc/54/70/07/741547007.db2.gz	LOYUTIPAFCFVKE-UHFFFAOYSA-N	-2	1	371.798	2.691	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1	ZINC001198869149	1004767469	/nfs/dbraw/zinc/76/74/69/1004767469.db2.gz	SKRSAGNDSQYDOZ-UHFFFAOYSA-N	-2	1	365.338	2.865	20	10		FFCDML
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc2)co1	ZINC000776433044	1005675591	/nfs/dbraw/zinc/67/55/91/1005675591.db2.gz	KHNQYNVOEGJWSZ-UHFFFAOYSA-N	-2	1	374.374	2.855	20	10		FFCDML
CCOC(=O)[C@H](C)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O	ZINC001227993392	1035855985	/nfs/dbraw/zinc/85/59/85/1035855985.db2.gz	BWQKEHFTVFCNNZ-JTQLQIEISA-N	-2	1	370.357	2.512	20	10		FFCDML
C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC001474648162	1065569640	/nfs/dbraw/zinc/56/96/40/1065569640.db2.gz	XBQWAULMVZQPPJ-KCJUWKMLSA-N	-2	1	352.303	2.559	20	10		FFCDML
O=C(NC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267509887	509523804	/nfs/dbraw/zinc/52/38/04/509523804.db2.gz	LPORIRXFRNSHOV-UHFFFAOYSA-N	-2	1	352.437	2.537	20	10		FFCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000268010275	509715136	/nfs/dbraw/zinc/71/51/36/509715136.db2.gz	QWYJGFILUSWZDD-UHFFFAOYSA-N	-2	1	352.412	2.662	20	10		FFCDML
O=C([O-])N[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738655709	602268067	/nfs/dbraw/zinc/26/80/67/602268067.db2.gz	OHMBXGCDTCFNIV-CQSZACIVSA-N	-2	1	370.405	2.561	20	10		FFCDML
O=C([O-])N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738655709	602268069	/nfs/dbraw/zinc/26/80/69/602268069.db2.gz	OHMBXGCDTCFNIV-CQSZACIVSA-N	-2	1	370.405	2.561	20	10		FFCDML
CCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176965010	729124952	/nfs/dbraw/zinc/12/49/52/729124952.db2.gz	DMUCLYJBXAUDHF-UHFFFAOYSA-N	-2	1	354.453	2.784	20	10		FFCDML
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748964	738229525	/nfs/dbraw/zinc/22/95/25/738229525.db2.gz	RTRACMIEWWNQSZ-UHFFFAOYSA-N	-2	1	355.799	2.941	20	10		FFCDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1F	ZINC000776751308	738229805	/nfs/dbraw/zinc/22/98/05/738229805.db2.gz	SLNRCLWLAPLQFY-UHFFFAOYSA-N	-3	1	359.762	2.992	20	10		FFCDML
CC(C)CONC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269726000	510527928	/nfs/dbraw/zinc/52/79/28/510527928.db2.gz	UMYIATHZYDQJTM-UHFFFAOYSA-N	-2	1	370.452	2.572	20	10		FFCDML
C[C@@H]1C[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748026717	735609673	/nfs/dbraw/zinc/60/96/73/735609673.db2.gz	CXWMCRHOHGRHJR-MNOVXSKESA-N	-2	1	366.464	2.640	20	10		FFCDML
CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775288496	738079015	/nfs/dbraw/zinc/07/90/15/738079015.db2.gz	NGUZGUZZOZTIBA-UHFFFAOYSA-N	-2	1	350.352	2.694	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC000793410191	739778469	/nfs/dbraw/zinc/77/84/69/739778469.db2.gz	SFKVQFCBLXECFY-UHFFFAOYSA-N	-2	1	367.354	2.541	20	10		FFCDML
Cc1noc2ncc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc12	ZINC000808113806	741187767	/nfs/dbraw/zinc/18/77/67/741187767.db2.gz	JKIOEAFNGZIRGB-UHFFFAOYSA-N	-2	1	357.750	2.830	20	10		FFCDML
C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncc(C(=O)[O-])s1	ZINC001593292967	994681088	/nfs/dbraw/zinc/68/10/88/994681088.db2.gz	QSVVDYFYWBQLMJ-LURJTMIESA-N	-2	1	357.775	2.959	20	10		FFCDML
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(Cl)c1	ZINC001193349453	1004458183	/nfs/dbraw/zinc/45/81/83/1004458183.db2.gz	DBQPQIPOOFSYMM-UHFFFAOYSA-N	-2	1	358.778	2.944	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1Cl	ZINC001188314108	1006508110	/nfs/dbraw/zinc/50/81/10/1006508110.db2.gz	IJQHKSASJAGGFS-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
CC[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000294023437	510932495	/nfs/dbraw/zinc/93/24/95/510932495.db2.gz	NKFBDBGQULJVEM-LBPRGKRZSA-N	-2	1	366.464	2.879	20	10		FFCDML
C[C@H]1C[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748026718	735609669	/nfs/dbraw/zinc/60/96/69/735609669.db2.gz	CXWMCRHOHGRHJR-QWRGUYRKSA-N	-2	1	366.464	2.640	20	10		FFCDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000751214300	735854077	/nfs/dbraw/zinc/85/40/77/735854077.db2.gz	MSEXDUTXSWTOEN-UHFFFAOYSA-N	-2	1	363.391	2.549	20	10		FFCDML
COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000811696205	741548991	/nfs/dbraw/zinc/54/89/91/741548991.db2.gz	KUXYLQWFYIADFB-UHFFFAOYSA-N	-2	1	372.786	2.901	20	10		FFCDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821124350	742591497	/nfs/dbraw/zinc/59/14/97/742591497.db2.gz	UCMTVXLSEAREHQ-UHFFFAOYSA-N	-2	1	358.322	2.996	20	10		FFCDML
COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC001197036327	1004057485	/nfs/dbraw/zinc/05/74/85/1004057485.db2.gz	JKYGZIDNCCZXIS-UHFFFAOYSA-N	-2	1	355.799	2.941	20	10		FFCDML
O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000872353550	731754560	/nfs/dbraw/zinc/75/45/60/731754560.db2.gz	LODQDYBKEPVFKZ-CYBMUJFWSA-N	-2	1	371.361	2.639	20	10		FFCDML
C[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000751060965	735842840	/nfs/dbraw/zinc/84/28/40/735842840.db2.gz	SIAJGSNWDUQURZ-LLVKDONJSA-N	-2	1	366.464	2.737	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1O	ZINC000751185770	735852519	/nfs/dbraw/zinc/85/25/19/735852519.db2.gz	CXNYEGUQWWJBGG-UHFFFAOYSA-N	-2	1	362.338	2.579	20	10		FFCDML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(F)c1	ZINC000776751121	738229894	/nfs/dbraw/zinc/22/98/94/738229894.db2.gz	OABRZTMTOWDAGK-UHFFFAOYSA-N	-2	1	358.778	2.944	20	10		FFCDML
CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1O	ZINC001188312833	1006507679	/nfs/dbraw/zinc/50/76/79/1006507679.db2.gz	XZVPSBQUPPLQRM-UHFFFAOYSA-N	-2	1	369.782	2.747	20	10		FFCDML
CCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177124932	509887286	/nfs/dbraw/zinc/88/72/86/509887286.db2.gz	NBALOBUDTBHXKL-UHFFFAOYSA-N	-2	1	354.453	2.737	20	10		FFCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCCC1	ZINC000175179097	510519046	/nfs/dbraw/zinc/51/90/46/510519046.db2.gz	BIEMWCNYHHSLJT-UHFFFAOYSA-N	-2	1	366.464	2.881	20	10		FFCDML
C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C(=O)[O-])C1	ZINC000828345379	603593468	/nfs/dbraw/zinc/59/34/68/603593468.db2.gz	BCAHPZPPWKGFJQ-AWEZNQCLSA-N	-2	1	370.405	2.513	20	10		FFCDML
C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C(=O)[O-])C1	ZINC000828345379	603593471	/nfs/dbraw/zinc/59/34/71/603593471.db2.gz	BCAHPZPPWKGFJQ-AWEZNQCLSA-N	-2	1	370.405	2.513	20	10		FFCDML
COCCOCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000872378625	731759309	/nfs/dbraw/zinc/75/93/09/731759309.db2.gz	DCIJQHUORRXGIJ-UHFFFAOYSA-N	-2	1	373.377	2.634	20	10		FFCDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(Cl)cc1F	ZINC000776434668	738194066	/nfs/dbraw/zinc/19/40/66/738194066.db2.gz	JBJHQJFDOVDFNN-UHFFFAOYSA-N	-2	1	359.762	2.992	20	10		FFCDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cs1	ZINC000808114686	741188334	/nfs/dbraw/zinc/18/83/34/741188334.db2.gz	DYIZYQNYBGCSNM-UHFFFAOYSA-N	-2	1	352.752	2.955	20	10		FFCDML
CC(C)OCc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1O	ZINC001591731399	975709855	/nfs/dbraw/zinc/70/98/55/975709855.db2.gz	XEBBNRHGONRPCZ-UHFFFAOYSA-N	-2	1	371.436	2.878	20	10		FFCDML
COc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1	ZINC001259299687	1039892640	/nfs/dbraw/zinc/89/26/40/1039892640.db2.gz	FNYOKQZHRXLCJO-UHFFFAOYSA-N	-2	1	358.213	2.964	20	10		FFCDML
O=C(N[C@@H]1C=CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001300453893	1058391778	/nfs/dbraw/zinc/39/17/78/1058391778.db2.gz	NEYTYZOLSCRZIQ-LLVKDONJSA-N	-2	1	364.448	2.703	20	10		FFCDML
CC(C)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267106560	509348155	/nfs/dbraw/zinc/34/81/55/509348155.db2.gz	ZNMUVFDEXDFADZ-UHFFFAOYSA-N	-2	1	368.480	2.983	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1O	ZINC000013464122	727816578	/nfs/dbraw/zinc/81/65/78/727816578.db2.gz	JAVZREVJDYNOGA-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2O1	ZINC000753020666	736031772	/nfs/dbraw/zinc/03/17/72/736031772.db2.gz	UBVQMMVOACXVJA-UHFFFAOYSA-N	-2	1	357.334	2.979	20	10		FFCDML
COc1c(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1F	ZINC000753019817	736031880	/nfs/dbraw/zinc/03/18/80/736031880.db2.gz	YZVZJSDBKHXQQD-UHFFFAOYSA-N	-2	1	351.277	2.758	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000792702985	739695796	/nfs/dbraw/zinc/69/57/96/739695796.db2.gz	MIYWUKVVGKBBDV-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000792703452	739695955	/nfs/dbraw/zinc/69/59/55/739695955.db2.gz	WTWQSGNIODRNQP-UHFFFAOYSA-N	-2	1	367.448	2.932	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000795352785	740008806	/nfs/dbraw/zinc/00/88/06/740008806.db2.gz	KBQPHNMHTIRLQW-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
O=C([O-])C1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1	ZINC001605929835	972852368	/nfs/dbraw/zinc/85/23/68/972852368.db2.gz	KWMLXNMCXYDLLK-UHFFFAOYSA-N	-2	1	356.216	2.806	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)ccc1Cl	ZINC001188308562	1006528097	/nfs/dbraw/zinc/52/80/97/1006528097.db2.gz	IOHLSIFYAKZSIH-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
CC(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176962824	729124977	/nfs/dbraw/zinc/12/49/77/729124977.db2.gz	PSLPBQFYTOOYNM-UHFFFAOYSA-N	-2	1	354.453	2.640	20	10		FFCDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c2cccnc12	ZINC000328179887	729793922	/nfs/dbraw/zinc/79/39/22/729793922.db2.gz	WFUFFPICJIRDKM-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
CC(C)C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC000818627795	742286017	/nfs/dbraw/zinc/28/60/17/742286017.db2.gz	NDKCUJNMJUQXOO-NSHDSACASA-N	-2	1	373.247	2.701	20	10		FFCDML
O=C([O-])CCCCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000840992113	747252156	/nfs/dbraw/zinc/25/21/56/747252156.db2.gz	JIZWZYXTJBRWNX-UHFFFAOYSA-N	-2	1	359.220	2.599	20	10		FFCDML
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3ccco3)ccc([O-])c21	ZINC001186859039	1003467922	/nfs/dbraw/zinc/46/79/22/1003467922.db2.gz	MLHMPQIJICZXAJ-UHFFFAOYSA-N	-2	1	369.354	2.561	20	10		FFCDML
O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1cc(F)cc(F)c1[O-]	ZINC000753018480	736031685	/nfs/dbraw/zinc/03/16/85/736031685.db2.gz	NLFOGVIGTXZJLV-UHFFFAOYSA-N	-2	1	351.334	2.657	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])ccc1O	ZINC001599445263	997997792	/nfs/dbraw/zinc/99/77/92/997997792.db2.gz	BVGBVILBXLADGQ-UHFFFAOYSA-N	-2	1	357.771	2.553	20	10		FFCDML
C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001341324591	1051679915	/nfs/dbraw/zinc/67/99/15/1051679915.db2.gz	AEFNYTDPPQEDAR-ADEWGFFLSA-N	-2	1	354.834	2.980	20	10		FFCDML
O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000833193564	604468058	/nfs/dbraw/zinc/46/80/58/604468058.db2.gz	BKWYKQPEKFVKBC-HNNXBMFYSA-N	-2	1	362.769	2.965	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000013464035	727816589	/nfs/dbraw/zinc/81/65/89/727816589.db2.gz	OVUBLYKRCUYNTG-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)ccc1[O-]	ZINC000133749490	728727791	/nfs/dbraw/zinc/72/77/91/728727791.db2.gz	YSLJJCQISMHBTH-UHFFFAOYSA-N	-2	1	363.326	2.789	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000758775234	736519892	/nfs/dbraw/zinc/51/98/92/736519892.db2.gz	UGRUJKRAXFVDOF-UHFFFAOYSA-N	-2	1	363.391	2.711	20	10		FFCDML
C[C@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804854453	740910670	/nfs/dbraw/zinc/91/06/70/740910670.db2.gz	HRCNOGDERZUWJO-GWCFXTLKSA-N	-2	1	366.464	2.783	20	10		FFCDML
Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113941	741187930	/nfs/dbraw/zinc/18/79/30/741187930.db2.gz	NLSVSEDJBUALTB-UHFFFAOYSA-N	-2	1	352.174	2.616	20	10		FFCDML
O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c(Cl)c3)ccc2N1	ZINC000120436111	728611376	/nfs/dbraw/zinc/61/13/76/728611376.db2.gz	YCQCQPKDFHGKPE-UHFFFAOYSA-N	-2	1	373.217	2.994	20	10		FFCDML
CC(C)=CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000191823930	729419582	/nfs/dbraw/zinc/41/95/82/729419582.db2.gz	QMPQUHBOVFJVJB-UHFFFAOYSA-N	-2	1	366.464	2.951	20	10		FFCDML
O=C([N-]CC1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1)C(F)(F)F	ZINC000877776917	732428386	/nfs/dbraw/zinc/42/83/86/732428386.db2.gz	GQXMDQFXDUQUCU-UHFFFAOYSA-N	-2	1	357.159	2.809	20	10		FFCDML
Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Cl)cc1F	ZINC000760365124	736632948	/nfs/dbraw/zinc/63/29/48/736632948.db2.gz	JRSQOTSOSKOXET-UHFFFAOYSA-N	-2	1	359.762	2.992	20	10		FFCDML
Cc1c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cnn1-c1ccccn1	ZINC000776751932	738229772	/nfs/dbraw/zinc/22/97/72/738229772.db2.gz	ZEGKQGGFWZPUAS-UHFFFAOYSA-N	-2	1	364.814	2.736	20	10		FFCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000790409394	739449232	/nfs/dbraw/zinc/44/92/32/739449232.db2.gz	PPNKSCWPZSHGPV-UHFFFAOYSA-N	-2	1	368.367	2.514	20	10		FFCDML
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1C	ZINC000821151076	742595308	/nfs/dbraw/zinc/59/53/08/742595308.db2.gz	UJRLWRYSPUGLRB-UHFFFAOYSA-N	-2	1	356.350	2.738	20	10		FFCDML
O=C(c1ccccc1)c1ccc([O-])c(CN2CCOCC(F)(F)C2)c1[O-]	ZINC000808235182	1004784931	/nfs/dbraw/zinc/78/49/31/1004784931.db2.gz	GOQJECDWMQIYCA-UHFFFAOYSA-N	-2	1	363.360	2.796	20	10		FFCDML
CCO[C@H](C)COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O	ZINC001227993332	1035857051	/nfs/dbraw/zinc/85/70/51/1035857051.db2.gz	APEAZWREHOQAES-LLVKDONJSA-N	-2	1	356.374	2.985	20	10		FFCDML
C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCN(C(=O)[O-])C1	ZINC000828345380	603593609	/nfs/dbraw/zinc/59/36/09/603593609.db2.gz	BCAHPZPPWKGFJQ-CQSZACIVSA-N	-2	1	370.405	2.513	20	10		FFCDML
C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCN(C(=O)[O-])C1	ZINC000828345380	603593611	/nfs/dbraw/zinc/59/36/11/603593611.db2.gz	BCAHPZPPWKGFJQ-CQSZACIVSA-N	-2	1	370.405	2.513	20	10		FFCDML
C[C@@H]1C[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000792534508	739681048	/nfs/dbraw/zinc/68/10/48/739681048.db2.gz	RSTKGCCRINHNQQ-GHMZBOCLSA-N	-2	1	366.464	2.877	20	10		FFCDML
Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc2s1	ZINC000793971185	739832502	/nfs/dbraw/zinc/83/25/02/739832502.db2.gz	IDZUBTCVFMUMCC-UHFFFAOYSA-N	-2	1	364.404	2.809	20	10		FFCDML
CCc1coc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])n1	ZINC001251387598	1039105079	/nfs/dbraw/zinc/10/50/79/1039105079.db2.gz	BDRRWVFOKIPKGE-UHFFFAOYSA-N	-2	1	351.211	2.728	20	10		FFCDML
O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1	ZINC000326875597	600243834	/nfs/dbraw/zinc/24/38/34/600243834.db2.gz	AGPFGDNIIQVCTH-UHFFFAOYSA-N	-2	1	360.435	2.715	20	10		FFCDML
CC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCC1	ZINC000093246209	728474746	/nfs/dbraw/zinc/47/47/46/728474746.db2.gz	MTZIRFCXMOGHJS-UHFFFAOYSA-N	-2	1	366.464	2.927	20	10		FFCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cccc2c1OCCO2	ZINC000808114493	741188082	/nfs/dbraw/zinc/18/80/82/741188082.db2.gz	ATTPKZXJYFRVNR-UHFFFAOYSA-N	-2	1	359.762	2.757	20	10		FFCDML
O=C(NCCCCF)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000812611243	741638529	/nfs/dbraw/zinc/63/85/29/741638529.db2.gz	MWGOMFLYZQDCRK-UHFFFAOYSA-N	-2	1	372.443	2.734	20	10		FFCDML
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)Cc1ccc(C)cc1	ZINC001259265781	1039859498	/nfs/dbraw/zinc/85/94/98/1039859498.db2.gz	YCWCLEHDCFUKAT-UHFFFAOYSA-N	-2	1	353.371	2.568	20	10		FFCDML
C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001341324592	1051680637	/nfs/dbraw/zinc/68/06/37/1051680637.db2.gz	AEFNYTDPPQEDAR-ZMLRMANQSA-N	-2	1	354.834	2.980	20	10		FFCDML
CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267028454	509314329	/nfs/dbraw/zinc/31/43/29/509314329.db2.gz	DHUBHQXEVKNUHU-UHFFFAOYSA-N	-2	1	354.453	2.737	20	10		FFCDML
C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@@H]1C	ZINC000293875859	510883499	/nfs/dbraw/zinc/88/34/99/510883499.db2.gz	AZCFWAKLSKVAEZ-GHMZBOCLSA-N	-2	1	366.464	2.735	20	10		FFCDML
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000322843721	729754120	/nfs/dbraw/zinc/75/41/20/729754120.db2.gz	ROORPOMGPCZQQQ-UHFFFAOYSA-N	-3	1	357.771	2.553	20	10		FFCDML
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(Cl)cc1C(=O)[O-]	ZINC000749146502	735698375	/nfs/dbraw/zinc/69/83/75/735698375.db2.gz	XXEZKCOCLALFEN-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(F)cc1F	ZINC001195234291	1004912718	/nfs/dbraw/zinc/91/27/18/1004912718.db2.gz	HFFWESAJKOZQLZ-UHFFFAOYSA-N	-3	1	363.725	2.823	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC001256501796	1038536185	/nfs/dbraw/zinc/53/61/85/1038536185.db2.gz	MLAUSLQLJMCAQK-UHFFFAOYSA-N	-2	1	365.791	2.834	20	10		FFCDML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1F	ZINC001344101297	1052595425	/nfs/dbraw/zinc/59/54/25/1052595425.db2.gz	MZLYPCFEBWAKHT-UHFFFAOYSA-N	-2	1	358.778	2.944	20	10		FFCDML
CC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000752821531	736015153	/nfs/dbraw/zinc/01/51/53/736015153.db2.gz	VWFNSJJPOOKZRM-UHFFFAOYSA-N	-2	1	366.464	2.784	20	10		FFCDML
C[C@@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804854459	740910598	/nfs/dbraw/zinc/91/05/98/740910598.db2.gz	HRCNOGDERZUWJO-ZWNOBZJWSA-N	-2	1	366.464	2.783	20	10		FFCDML
O=C([O-])c1ccccc1C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC001574810688	1078083797	/nfs/dbraw/zinc/08/37/97/1078083797.db2.gz	LXPIZUFACUTOTC-UHFFFAOYSA-N	-2	1	359.353	2.955	20	10		FFCDML
O=C([O-])N1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000738718337	602267798	/nfs/dbraw/zinc/26/77/98/602267798.db2.gz	DCQXUUOPBKQQIT-UHFFFAOYSA-N	-2	1	370.405	2.515	20	10		FFCDML
O=C([O-])N1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000738718337	602267800	/nfs/dbraw/zinc/26/78/00/602267800.db2.gz	DCQXUUOPBKQQIT-UHFFFAOYSA-N	-2	1	370.405	2.515	20	10		FFCDML
O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000833193565	604467506	/nfs/dbraw/zinc/46/75/06/604467506.db2.gz	BKWYKQPEKFVKBC-OAHLLOKOSA-N	-2	1	362.769	2.965	20	10		FFCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(OC)c1	ZINC000785488906	738969417	/nfs/dbraw/zinc/96/94/17/738969417.db2.gz	VENCBWYHRDOKFB-UHFFFAOYSA-N	-2	1	371.798	2.642	20	10		FFCDML
C[C@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000792534510	739680871	/nfs/dbraw/zinc/68/08/71/739680871.db2.gz	RSTKGCCRINHNQQ-QWRGUYRKSA-N	-2	1	366.464	2.877	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cs1	ZINC000808113923	741188159	/nfs/dbraw/zinc/18/81/59/741188159.db2.gz	MHXYVXLBZQFFOM-UHFFFAOYSA-N	-3	1	351.764	2.745	20	10		FFCDML
CCC1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000837259480	746405258	/nfs/dbraw/zinc/40/52/58/746405258.db2.gz	SIFNXKCTEGCAGG-UHFFFAOYSA-N	-2	1	366.464	2.737	20	10		FFCDML
Cc1[nH]c(C(=O)NCc2cccc(Br)c2[O-])c(C)c1C(=O)[O-]	ZINC001599952154	985627010	/nfs/dbraw/zinc/62/70/10/985627010.db2.gz	IWXKDTMPKUGORB-UHFFFAOYSA-N	-2	1	367.199	2.728	20	10		FFCDML
CC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093918071	508160686	/nfs/dbraw/zinc/16/06/86/508160686.db2.gz	POFOJXDXTCMKCJ-UHFFFAOYSA-N	-2	1	354.453	2.783	20	10		FFCDML
O=C(NCC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000177052226	729127019	/nfs/dbraw/zinc/12/70/19/729127019.db2.gz	DHKATAOWHMOGQK-UHFFFAOYSA-N	-2	1	366.464	2.784	20	10		FFCDML
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000794872700	739938524	/nfs/dbraw/zinc/93/85/24/739938524.db2.gz	LTWUYBXCLDJIFU-UHFFFAOYSA-N	-2	1	358.759	2.763	20	10		FFCDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(F)(F)F)cc1	ZINC001260227736	1040475498	/nfs/dbraw/zinc/47/54/98/1040475498.db2.gz	XCFDNFKELVKWGS-UHFFFAOYSA-N	-2	1	361.297	2.910	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000765731936	737150079	/nfs/dbraw/zinc/15/00/79/737150079.db2.gz	MZKIFCGJLVDXRI-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc2s1	ZINC000793407363	739778224	/nfs/dbraw/zinc/77/82/24/739778224.db2.gz	YRQHMYZPNWFWOB-UHFFFAOYSA-N	-2	1	364.404	2.809	20	10		FFCDML
O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cc(F)cc(F)c1[O-]	ZINC000821163359	742596251	/nfs/dbraw/zinc/59/62/51/742596251.db2.gz	QSWSZKVFQWHHCU-UHFFFAOYSA-N	-2	1	351.334	2.861	20	10		FFCDML
Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2)n[nH]1	ZINC000821168522	742596946	/nfs/dbraw/zinc/59/69/46/742596946.db2.gz	GIPHMAZYICJMDK-UHFFFAOYSA-N	-2	1	366.349	2.565	20	10		FFCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccnc1OCC(F)F	ZINC000821191365	742599232	/nfs/dbraw/zinc/59/92/32/742599232.db2.gz	MZLYQZPKGUEYLZ-UHFFFAOYSA-N	-2	1	364.757	2.885	20	10		FFCDML
Cc1cc(C)c(NC(=O)c2ccc(O)c([O-])c2Cl)c(S(=O)(=O)[O-])c1	ZINC001193230603	1004429974	/nfs/dbraw/zinc/42/99/74/1004429974.db2.gz	XKAZAMVNVNXUEE-UHFFFAOYSA-N	-2	1	371.798	2.867	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC[C@H]3CCCO3)c1C2=O	ZINC001227993608	1035856788	/nfs/dbraw/zinc/85/67/88/1035856788.db2.gz	DATCTYORBJRSDE-GFCCVEGCSA-N	-2	1	354.358	2.739	20	10		FFCDML
CC(C)OCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1O	ZINC000290596285	511145592	/nfs/dbraw/zinc/14/55/92/511145592.db2.gz	YFKRCFUXFBVHDF-UHFFFAOYSA-N	-2	1	371.436	2.878	20	10		FFCDML
O=C([O-])C1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000738718380	596950214	/nfs/dbraw/zinc/95/02/14/596950214.db2.gz	FTXYLKNNPVMAOR-UHFFFAOYSA-N	-2	1	355.390	2.625	20	10		FFCDML
C[C@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000828028949	601886265	/nfs/dbraw/zinc/88/62/65/601886265.db2.gz	IXWIRJVARALSJJ-FQEVSTJZSA-N	-2	1	355.390	2.625	20	10		FFCDML
C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000828028949	601886267	/nfs/dbraw/zinc/88/62/67/601886267.db2.gz	IXWIRJVARALSJJ-FQEVSTJZSA-N	-2	1	355.390	2.625	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1O	ZINC000013464132	727816573	/nfs/dbraw/zinc/81/65/73/727816573.db2.gz	IWWZQERJJKIQML-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000177028109	729126304	/nfs/dbraw/zinc/12/63/04/729126304.db2.gz	XOWMAJUUEKPWPX-JTQLQIEISA-N	-2	1	366.464	2.783	20	10		FFCDML
O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000776745460	738228477	/nfs/dbraw/zinc/22/84/77/738228477.db2.gz	LLMFZDMOCCIZOU-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)ccc1O	ZINC000776747327	738228909	/nfs/dbraw/zinc/22/89/09/738228909.db2.gz	AZDRXOIJJUTSPV-UHFFFAOYSA-N	-2	1	363.391	2.549	20	10		FFCDML
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748849	738229338	/nfs/dbraw/zinc/22/93/38/738229338.db2.gz	LQLRQJXFQUWEQF-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1cccc(C)c1C	ZINC001260999564	1040923785	/nfs/dbraw/zinc/92/37/85/1040923785.db2.gz	XNSDZRWTGQAUIQ-UHFFFAOYSA-N	-2	1	353.371	2.736	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C	ZINC001260999564	1040923800	/nfs/dbraw/zinc/92/38/00/1040923800.db2.gz	XNSDZRWTGQAUIQ-UHFFFAOYSA-N	-2	1	353.371	2.736	20	10		FFCDML
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(C(=O)[O-])c1Cl	ZINC000759090576	736546552	/nfs/dbraw/zinc/54/65/52/736546552.db2.gz	IZZJJHRTYKVGPE-UHFFFAOYSA-N	-2	1	369.782	2.876	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(Cl)c1F	ZINC000767735938	737361932	/nfs/dbraw/zinc/36/19/32/737361932.db2.gz	NKSLMUCOSZSDAN-UHFFFAOYSA-N	-2	1	373.745	2.707	20	10		FFCDML
COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750442	738229454	/nfs/dbraw/zinc/22/94/54/738229454.db2.gz	DOROOXMRNBIYJF-UHFFFAOYSA-N	-2	1	355.799	2.941	20	10		FFCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000790408936	739449422	/nfs/dbraw/zinc/44/94/22/739449422.db2.gz	IATKOEJTNFHEMQ-UHFFFAOYSA-N	-2	1	365.407	2.907	20	10		FFCDML
COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC001261059004	1040965548	/nfs/dbraw/zinc/96/55/48/1040965548.db2.gz	UWYXWUCHNBIKDU-UHFFFAOYSA-N	-2	1	365.791	2.834	20	10		FFCDML
COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C(=O)[O-]	ZINC000790400567	739448043	/nfs/dbraw/zinc/44/80/43/739448043.db2.gz	XDXZKVQVAWZJTN-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001599809733	988312903	/nfs/dbraw/zinc/31/29/03/988312903.db2.gz	NYZMINSFGSGUMT-UHFFFAOYSA-N	-2	1	353.421	2.542	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCOC[C@H]3F)c1C2=O	ZINC001227993361	1035857705	/nfs/dbraw/zinc/85/77/05/1035857705.db2.gz	BERVLCHLOVPSBI-HIFRSBDPSA-N	-2	1	372.348	2.687	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC001251738398	1039280269	/nfs/dbraw/zinc/28/02/69/1039280269.db2.gz	JZFIWTAPZRCRES-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000755020765	736227252	/nfs/dbraw/zinc/22/72/52/736227252.db2.gz	WKDWZXGEVVRPEU-UHFFFAOYSA-N	-2	1	367.339	2.626	20	10		FFCDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1[O-]	ZINC000775289594	738079350	/nfs/dbraw/zinc/07/93/50/738079350.db2.gz	XLVVKSFLWPXYQB-UHFFFAOYSA-N	-2	1	351.365	2.711	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1	ZINC000776432856	738193535	/nfs/dbraw/zinc/19/35/35/738193535.db2.gz	HJOYJIBCXKFPKX-UHFFFAOYSA-N	-2	1	350.377	2.501	20	10		FFCDML
C[C@@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000792534509	739681132	/nfs/dbraw/zinc/68/11/32/739681132.db2.gz	RSTKGCCRINHNQQ-PHIMTYICSA-N	-2	1	366.464	2.877	20	10		FFCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C	ZINC000793430111	739780567	/nfs/dbraw/zinc/78/05/67/739780567.db2.gz	SCIWWBQEZRPBFM-UHFFFAOYSA-N	-2	1	369.370	2.737	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3CN(C(C)C)C3)c1C2=O	ZINC001227994677	1035860210	/nfs/dbraw/zinc/86/02/10/1035860210.db2.gz	PLNJVIKAZRCOIB-UHFFFAOYSA-N	-2	1	367.401	2.653	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1	ZINC001260834405	1040838086	/nfs/dbraw/zinc/83/80/86/1040838086.db2.gz	QNAYXGHEPINKDO-UHFFFAOYSA-N	-2	1	373.789	2.913	20	10		FFCDML
O=C([O-])CCCN1C(=O)/C(=C\c2cc(F)c([O-])c(F)c2)SC1=S	ZINC000749933285	735760605	/nfs/dbraw/zinc/76/06/05/735760605.db2.gz	DOECPBBGZBTYSX-UXBLZVDNSA-N	-2	1	359.375	2.736	20	10		FFCDML
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)c(F)cc2N1	ZINC000776750897	738229491	/nfs/dbraw/zinc/22/94/91/738229491.db2.gz	NKWONHITMFFZKV-UHFFFAOYSA-N	-2	1	370.789	2.870	20	10		FFCDML
Cc1c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c2ccccc2n1C	ZINC000790067795	739416201	/nfs/dbraw/zinc/41/62/01/739416201.db2.gz	FFMPJMGJTTVSPW-UHFFFAOYSA-N	-2	1	360.391	2.691	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000792703281	739696058	/nfs/dbraw/zinc/69/60/58/739696058.db2.gz	SMNBJEXYBINNPF-UHFFFAOYSA-N	-2	1	353.421	2.542	20	10		FFCDML
O=C([O-])C1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000840992518	747252204	/nfs/dbraw/zinc/25/22/04/747252204.db2.gz	SSSCKMVJCMIJLY-UHFFFAOYSA-N	-2	1	371.231	2.597	20	10		FFCDML
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1cccc(Br)c1[O-]	ZINC001603313009	972611424	/nfs/dbraw/zinc/61/14/24/972611424.db2.gz	UCULKSKYDBIPBP-UHFFFAOYSA-N	-2	1	370.243	2.908	20	10		FFCDML
O=C(CNC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccc([O-])c(O)c1	ZINC001148814764	1001217429	/nfs/dbraw/zinc/21/74/29/1001217429.db2.gz	WPWBMWCJNPHSQL-UHFFFAOYSA-N	-2	1	356.161	2.723	20	10		FFCDML
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753014007	736030807	/nfs/dbraw/zinc/03/08/07/736030807.db2.gz	DAIBQUYHALVJLP-UHFFFAOYSA-N	-3	1	371.361	2.833	20	10		FFCDML
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748787	738229407	/nfs/dbraw/zinc/22/94/07/738229407.db2.gz	HAODAGBCUDXLFP-UHFFFAOYSA-N	-2	1	359.787	2.843	20	10		FFCDML
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000778567820	738394577	/nfs/dbraw/zinc/39/45/77/738394577.db2.gz	LVMQCNBCIXRDBC-UHFFFAOYSA-N	-2	1	359.787	2.788	20	10		FFCDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(F)c1	ZINC000808114438	741187788	/nfs/dbraw/zinc/18/77/88/741187788.db2.gz	YFHATWFNUIMJNP-UHFFFAOYSA-N	-3	1	363.725	2.823	20	10		FFCDML
CC(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])no1	ZINC001251429274	1039125636	/nfs/dbraw/zinc/12/56/36/1039125636.db2.gz	NLPPAWHAKJCOPE-UHFFFAOYSA-N	-2	1	366.226	2.684	20	10		FFCDML
CON(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)C	ZINC001331108915	1049474045	/nfs/dbraw/zinc/47/40/45/1049474045.db2.gz	FFLCEOVQKMFCFV-UHFFFAOYSA-N	-2	1	370.452	2.667	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000758775624	736520242	/nfs/dbraw/zinc/52/02/42/736520242.db2.gz	ZEQPAKMSERGWLP-UHFFFAOYSA-N	-2	1	363.391	2.711	20	10		FFCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000790409045	739449270	/nfs/dbraw/zinc/44/92/70/739449270.db2.gz	LIBCWEIHNGVMBV-UHFFFAOYSA-N	-2	1	351.380	2.598	20	10		FFCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(F)c1	ZINC000794593822	739908184	/nfs/dbraw/zinc/90/81/84/739908184.db2.gz	ZANPSSAWZUSRTA-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803212838	740775869	/nfs/dbraw/zinc/77/58/69/740775869.db2.gz	IQDLBGUWQPCQJA-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821192088	742599144	/nfs/dbraw/zinc/59/91/44/742599144.db2.gz	RMXDYPOBSVKEGI-UHFFFAOYSA-N	-3	1	371.361	2.879	20	10		FFCDML
C[C@@H](O)CCCC(=O)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234750150	1037166733	/nfs/dbraw/zinc/16/67/33/1037166733.db2.gz	ZOVPXQIPIFXCOY-SECBINFHSA-N	-2	1	374.345	2.520	20	10		FFCDML
O=C([O-])[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1	ZINC001574617884	1078037568	/nfs/dbraw/zinc/03/75/68/1078037568.db2.gz	XMDMCAQNAZUFPY-LBPRGKRZSA-N	-2	1	356.216	2.662	20	10		FFCDML
COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776751933	738229982	/nfs/dbraw/zinc/22/99/82/738229982.db2.gz	ZGDINHHPHNGOOS-UHFFFAOYSA-N	-2	1	371.798	2.642	20	10		FFCDML
O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(Cl)c([O-])cc1F	ZINC000811701944	741549300	/nfs/dbraw/zinc/54/93/00/741549300.db2.gz	JEBHLQGJSYPKFW-UHFFFAOYSA-N	-2	1	351.705	2.505	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC001256317238	1038476905	/nfs/dbraw/zinc/47/69/05/1038476905.db2.gz	UOHNZDNKDQOKMO-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
CN(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1	ZINC001251384628	1039104923	/nfs/dbraw/zinc/10/49/23/1039104923.db2.gz	ZXKKCZDRMAXANL-UHFFFAOYSA-N	-2	1	362.238	2.961	20	10		FFCDML
O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC001306907778	1052218291	/nfs/dbraw/zinc/21/82/91/1052218291.db2.gz	AVPDPHGBTZTVJC-UHFFFAOYSA-N	-2	1	361.810	2.913	20	10		FFCDML
C[C@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000175260382	510558416	/nfs/dbraw/zinc/55/84/16/510558416.db2.gz	LYCJRGKIKFBKIE-NSHDSACASA-N	-2	1	366.464	2.879	20	10		FFCDML
O=C(NC1CCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000176964285	729124781	/nfs/dbraw/zinc/12/47/81/729124781.db2.gz	CDXLLQQQDJUIJS-UHFFFAOYSA-N	-2	1	366.464	2.927	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000797820359	740276350	/nfs/dbraw/zinc/27/63/50/740276350.db2.gz	UELRWHHOUBOMIO-UHFFFAOYSA-N	-2	1	357.771	2.553	20	10		FFCDML
O=C([O-])c1ncccc1NC(=O)NCc1cccc(Br)c1[O-]	ZINC001605800931	972516316	/nfs/dbraw/zinc/51/63/16/972516316.db2.gz	RGKPNFHHXISYJS-UHFFFAOYSA-N	-2	1	366.171	2.570	20	10		FFCDML
COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1	ZINC001197114842	1004090022	/nfs/dbraw/zinc/09/00/22/1004090022.db2.gz	KBJXMBNFIMLSRQ-AATRIKPKSA-N	-2	1	369.345	2.657	20	10		FFCDML
NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC001251384153	1039105506	/nfs/dbraw/zinc/10/55/06/1039105506.db2.gz	PDDKGRHLEMIUEJ-UHFFFAOYSA-N	-2	1	361.206	2.599	20	10		FFCDML
CCCS(=O)(=O)[N-]c1c(CC(=O)[O-])cccc1C(=O)c1ccccc1	ZINC001253698419	1040326782	/nfs/dbraw/zinc/32/67/82/1040326782.db2.gz	LWKCXDBSLBECGN-UHFFFAOYSA-N	-2	1	361.419	2.696	20	10		FFCDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c2cccnc12	ZINC000328275726	729794238	/nfs/dbraw/zinc/79/42/38/729794238.db2.gz	HXIWIDPBEDHEAD-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncc(C(=O)[O-])s1	ZINC001593292974	994681098	/nfs/dbraw/zinc/68/10/98/994681098.db2.gz	QSVVDYFYWBQLMJ-ZCFIWIBFSA-N	-2	1	357.775	2.959	20	10		FFCDML
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3ccoc3)ccc([O-])c21	ZINC001188615471	1006630959	/nfs/dbraw/zinc/63/09/59/1006630959.db2.gz	NYYSKXRRJFYGDV-UHFFFAOYSA-N	-2	1	369.354	2.561	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC[C@@H]3CCCO3)c1C2=O	ZINC001227993609	1035856987	/nfs/dbraw/zinc/85/69/87/1035856987.db2.gz	DATCTYORBJRSDE-LBPRGKRZSA-N	-2	1	354.358	2.739	20	10		FFCDML
C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1=CC=C[CH]1	ZINC001229788817	1036898469	/nfs/dbraw/zinc/89/84/69/1036898469.db2.gz	BAIQGBUGMXFICQ-JTQLQIEISA-N	-2	1	369.349	2.913	20	10		FFCDML
O=S(=O)([N-]c1nccnc1Cl)c1cc(Cl)cc(Cl)c1[O-]	ZINC001251384144	1039105814	/nfs/dbraw/zinc/10/58/14/1039105814.db2.gz	PBFMPPZFQMDPCX-UHFFFAOYSA-N	-2	1	354.602	2.943	20	10		FFCDML
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(F)c1[O-]	ZINC001206470129	1032299773	/nfs/dbraw/zinc/29/97/73/1032299773.db2.gz	BNHYCELXYGFGFY-KWQFWETISA-N	-2	1	352.303	2.702	20	10		FFCDML
Cc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])ccc1O	ZINC000833747335	605203153	/nfs/dbraw/zinc/20/31/53/605203153.db2.gz	WILGEQXRMPOYKO-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
C[C@H](F)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000818291859	742259116	/nfs/dbraw/zinc/25/91/16/742259116.db2.gz	UHFFVJZEWRHGDI-JTQLQIEISA-N	-2	1	372.443	2.732	20	10		FFCDML
Cn1ncc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cnc21	ZINC001251390393	1039107504	/nfs/dbraw/zinc/10/75/04/1039107504.db2.gz	ZWJKBRSDMIOPTI-UHFFFAOYSA-N	-2	1	373.221	2.782	20	10		FFCDML
O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1)C1CC1	ZINC000753017017	736031247	/nfs/dbraw/zinc/03/12/47/736031247.db2.gz	KHNHLERTLGYOJU-UHFFFAOYSA-N	-2	1	368.361	2.820	20	10		FFCDML
O=C(NC1CC=CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000760150249	736618361	/nfs/dbraw/zinc/61/83/61/736618361.db2.gz	JXQOSRMWUCSHQD-UHFFFAOYSA-N	-2	1	364.448	2.703	20	10		FFCDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1O	ZINC000776748336	738228987	/nfs/dbraw/zinc/22/89/87/738228987.db2.gz	BOSGBOCXPQTTLA-UHFFFAOYSA-N	-2	1	359.762	2.992	20	10		FFCDML
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750755	738229364	/nfs/dbraw/zinc/22/93/64/738229364.db2.gz	KWSTYMSDKNNBRL-UHFFFAOYSA-N	-2	1	359.762	2.772	20	10		FFCDML
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821157361	742595723	/nfs/dbraw/zinc/59/57/23/742595723.db2.gz	ILHRUALFBCAVMR-UHFFFAOYSA-N	-2	1	370.377	2.609	20	10		FFCDML
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc2)co1	ZINC000757655936	1023843659	/nfs/dbraw/zinc/84/36/59/1023843659.db2.gz	MEUJIODAFYELLY-UHFFFAOYSA-N	-2	1	374.374	2.855	20	10		FFCDML
C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1=CC=C[CH]1	ZINC001229788818	1036899469	/nfs/dbraw/zinc/89/94/69/1036899469.db2.gz	BAIQGBUGMXFICQ-SNVBAGLBSA-N	-2	1	369.349	2.913	20	10		FFCDML
CC/C=C/CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001468428547	1063985128	/nfs/dbraw/zinc/98/51/28/1063985128.db2.gz	HFLRZRJDIDLXML-ONEGZZNKSA-N	-2	1	366.464	2.951	20	10		FFCDML
Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757655707	736416941	/nfs/dbraw/zinc/41/69/41/736416941.db2.gz	LETNXUNVPQENCJ-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000775286585	738078417	/nfs/dbraw/zinc/07/84/17/738078417.db2.gz	YTWLBYCUGJSDBU-UHFFFAOYSA-N	-2	1	367.339	2.626	20	10		FFCDML
Cn1cnc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cnc21	ZINC001251389877	1039107609	/nfs/dbraw/zinc/10/76/09/1039107609.db2.gz	MNIKVNGFHQPSNZ-UHFFFAOYSA-N	-2	1	373.221	2.782	20	10		FFCDML
COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)CCCC1	ZINC000290474831	511143757	/nfs/dbraw/zinc/14/37/57/511143757.db2.gz	HGWQATALIPBGLR-UHFFFAOYSA-N	-2	1	365.810	2.660	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000766048965	737187048	/nfs/dbraw/zinc/18/70/48/737187048.db2.gz	YEYIDLANHZCUJI-UHFFFAOYSA-N	-2	1	369.782	2.747	20	10		FFCDML
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748729	738229559	/nfs/dbraw/zinc/22/95/59/738229559.db2.gz	DITKRDTWGWZOCN-UHFFFAOYSA-N	-3	1	359.762	2.992	20	10		FFCDML
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000790415175	739450967	/nfs/dbraw/zinc/45/09/67/739450967.db2.gz	AMHZVFFXBILRNZ-UHFFFAOYSA-N	-2	1	353.371	2.901	20	10		FFCDML
CC[C@@H](COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O)OC	ZINC001227994668	1035858331	/nfs/dbraw/zinc/85/83/31/1035858331.db2.gz	PGPFGINLDSCRMT-LBPRGKRZSA-N	-2	1	356.374	2.985	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(F)cc1Cl	ZINC001259218946	1039809176	/nfs/dbraw/zinc/80/91/76/1039809176.db2.gz	OFEJYZVCPZOJQG-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
C[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000751060967	735842749	/nfs/dbraw/zinc/84/27/49/735842749.db2.gz	SIAJGSNWDUQURZ-NSHDSACASA-N	-2	1	366.464	2.737	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000765747028	737153234	/nfs/dbraw/zinc/15/32/34/737153234.db2.gz	KALPFOAYBKNPSB-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1	ZINC000776434231	738193624	/nfs/dbraw/zinc/19/36/24/738193624.db2.gz	AROAEKAWGVPLAK-UHFFFAOYSA-N	-2	1	360.347	2.546	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000792701904	739695472	/nfs/dbraw/zinc/69/54/72/739695472.db2.gz	GVEZOLDNOMOQKL-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000792703339	739695903	/nfs/dbraw/zinc/69/59/03/739695903.db2.gz	VBXGBKNAOMMHRH-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
O=C(N[C@H]1CC12CC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000819627892	742416396	/nfs/dbraw/zinc/41/63/96/742416396.db2.gz	ZJMOMCGFEFHNIQ-ZDUSSCGKSA-N	-2	1	364.448	2.537	20	10		FFCDML
COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000391505687	972341761	/nfs/dbraw/zinc/34/17/61/972341761.db2.gz	LTOYZCGIYDVXNL-UHFFFAOYSA-N	-3	1	357.771	2.553	20	10		FFCDML
O=C([O-])c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1	ZINC001606508522	973997686	/nfs/dbraw/zinc/99/76/86/973997686.db2.gz	JGYAYLVUHMKWQN-UHFFFAOYSA-N	-2	1	350.168	2.783	20	10		FFCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C	ZINC001185835997	1003079340	/nfs/dbraw/zinc/07/93/40/1003079340.db2.gz	BKKNKLRSVDNMDE-UHFFFAOYSA-N	-2	1	357.334	2.566	20	10		FFCDML
NC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1	ZINC001251384610	1039105102	/nfs/dbraw/zinc/10/51/02/1039105102.db2.gz	ZLNONIXDXUNLIR-UHFFFAOYSA-N	-2	1	361.206	2.599	20	10		FFCDML
O=C1NCc2c1cccc2[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001251419183	1039122205	/nfs/dbraw/zinc/12/22/05/1039122205.db2.gz	WDVJGEQLMIFMQA-UHFFFAOYSA-N	-2	1	373.217	2.743	20	10		FFCDML
CCc1ccc(S(=O)(=O)Nc2cc(F)c(O)cc2C(=O)OC)cc1	ZINC001255085335	1041132056	/nfs/dbraw/zinc/13/20/56/1041132056.db2.gz	VLTXGBJQQUUOAD-UHFFFAOYSA-N	-2	1	353.371	2.681	20	10		FFCDML
CC(C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000093928227	508161099	/nfs/dbraw/zinc/16/10/99/508161099.db2.gz	XPWQDQFUEHFRTR-UHFFFAOYSA-N	-2	1	354.453	2.735	20	10		FFCDML
C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[C@H]1C	ZINC000293875861	510883168	/nfs/dbraw/zinc/88/31/68/510883168.db2.gz	AZCFWAKLSKVAEZ-MNOVXSKESA-N	-2	1	366.464	2.735	20	10		FFCDML
CCOc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1C(=O)[O-]	ZINC001192648231	1004218507	/nfs/dbraw/zinc/21/85/07/1004218507.db2.gz	KHONQVKNVLQXEN-UHFFFAOYSA-N	-2	1	373.333	2.568	20	10		FFCDML
O=C(N[C@H]1C=CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001300453894	1058393166	/nfs/dbraw/zinc/39/31/66/1058393166.db2.gz	NEYTYZOLSCRZIQ-NSHDSACASA-N	-2	1	364.448	2.703	20	10		FFCDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000743259771	601484601	/nfs/dbraw/zinc/48/46/01/601484601.db2.gz	NEECACVOLBEJNX-UHFFFAOYSA-N	-2	1	359.762	2.992	20	10		FFCDML
O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1)C1CC1	ZINC000753022320	736032120	/nfs/dbraw/zinc/03/21/20/736032120.db2.gz	VJPMMCMDHNEDCP-UHFFFAOYSA-N	-2	1	368.361	2.820	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000765726534	737149729	/nfs/dbraw/zinc/14/97/29/737149729.db2.gz	HJSNJQLJGHQEJH-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
C[C@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804854455	740910552	/nfs/dbraw/zinc/91/05/52/740910552.db2.gz	HRCNOGDERZUWJO-GXFFZTMASA-N	-2	1	366.464	2.783	20	10		FFCDML
O=C1CSc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc2N1	ZINC000821134910	742593381	/nfs/dbraw/zinc/59/33/81/742593381.db2.gz	FKXYWVPQQADYBO-UHFFFAOYSA-N	-2	1	372.374	2.515	20	10		FFCDML
O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])ccc12	ZINC000821178729	742597469	/nfs/dbraw/zinc/59/74/69/742597469.db2.gz	UWCRWAISMWNPHT-UHFFFAOYSA-N	-3	1	368.317	2.651	20	10		FFCDML
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000390922848	845844647	/nfs/dbraw/zinc/84/46/47/845844647.db2.gz	CFUQZEOUWULHLT-UHFFFAOYSA-N	-2	1	358.759	2.763	20	10		FFCDML
O=C([O-])[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CC=CCC1	ZINC001594862894	954290263	/nfs/dbraw/zinc/29/02/63/954290263.db2.gz	CMXMDRFHPSAGBZ-HNNXBMFYSA-N	-2	1	354.200	2.582	20	10		FFCDML
O=C([O-])c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1	ZINC001605800745	972515059	/nfs/dbraw/zinc/51/50/59/972515059.db2.gz	GSGQEQMNODZKIY-UHFFFAOYSA-N	-2	1	366.171	2.570	20	10		FFCDML
O=C([O-])N[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738655707	602268125	/nfs/dbraw/zinc/26/81/25/602268125.db2.gz	OHMBXGCDTCFNIV-AWEZNQCLSA-N	-2	1	370.405	2.561	20	10		FFCDML
O=C([O-])N[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738655707	602268127	/nfs/dbraw/zinc/26/81/27/602268127.db2.gz	OHMBXGCDTCFNIV-AWEZNQCLSA-N	-2	1	370.405	2.561	20	10		FFCDML
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])c2)n[nH]1	ZINC000753018261	736031801	/nfs/dbraw/zinc/03/18/01/736031801.db2.gz	LFGUWVROOTUYDJ-UHFFFAOYSA-N	-2	1	366.349	2.565	20	10		FFCDML
O=C(NCc1cccc(Br)c1[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000765750593	737153540	/nfs/dbraw/zinc/15/35/40/737153540.db2.gz	JNCLNALPYXWNBL-UHFFFAOYSA-N	-2	1	367.155	2.699	20	10		FFCDML
Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775287604	738079189	/nfs/dbraw/zinc/07/91/89/738079189.db2.gz	DNHNCFKIYSAMOE-UHFFFAOYSA-N	-2	1	359.363	2.958	20	10		FFCDML
COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821163111	742596051	/nfs/dbraw/zinc/59/60/51/742596051.db2.gz	GEEQHJFMKDWFBG-UHFFFAOYSA-N	-2	1	372.349	2.674	20	10		FFCDML
CCC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000833952847	745800473	/nfs/dbraw/zinc/80/04/73/745800473.db2.gz	CGAMUSDZVHQOFO-UHFFFAOYSA-N	-2	1	366.464	2.927	20	10		FFCDML
O=C1Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2N1	ZINC001251423188	1039123710	/nfs/dbraw/zinc/12/37/10/1039123710.db2.gz	GIGPVHBEAXHALG-UHFFFAOYSA-N	-2	1	373.217	2.994	20	10		FFCDML
CC[C@@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000294023433	510932682	/nfs/dbraw/zinc/93/26/82/510932682.db2.gz	NKFBDBGQULJVEM-GFCCVEGCSA-N	-2	1	366.464	2.879	20	10		FFCDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000758774200	736519911	/nfs/dbraw/zinc/51/99/11/736519911.db2.gz	NQERPBIIJCPTQF-UHFFFAOYSA-N	-2	1	363.391	2.656	20	10		FFCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000758772983	736519945	/nfs/dbraw/zinc/51/99/45/736519945.db2.gz	FUGDJMAMOVAIQH-UHFFFAOYSA-N	-2	1	363.391	2.711	20	10		FFCDML
CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000761996417	736780774	/nfs/dbraw/zinc/78/07/74/736780774.db2.gz	TYLCJXYUIGMHRY-UHFFFAOYSA-N	-2	1	368.367	2.594	20	10		FFCDML
Cc1nn2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cnc2c1Cl	ZINC000776748852	738229233	/nfs/dbraw/zinc/22/92/33/738229233.db2.gz	LTDZNINHAINPJF-UHFFFAOYSA-N	-2	1	373.221	2.851	20	10		FFCDML
COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C	ZINC001599383009	996891874	/nfs/dbraw/zinc/89/18/74/996891874.db2.gz	RAXPHZYKRQTEEP-UHFFFAOYSA-N	-2	1	365.407	2.825	20	10		FFCDML
O=C([O-])c1cc(Br)ccc1NCC(=O)c1ccc([O-])c(O)c1	ZINC001170315828	1003106265	/nfs/dbraw/zinc/10/62/65/1003106265.db2.gz	HITWCENGUMRDAN-UHFFFAOYSA-N	-2	1	366.167	2.853	20	10		FFCDML
O=C([O-])c1cc(Br)cc(NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001170321674	1003109665	/nfs/dbraw/zinc/10/96/65/1003109665.db2.gz	CNUHLKJNFSKOKH-UHFFFAOYSA-N	-2	1	366.167	2.853	20	10		FFCDML
O=C([O-])c1cc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)ccc1Cl	ZINC001188303483	1006525911	/nfs/dbraw/zinc/52/59/11/1006525911.db2.gz	RCZCYAQAMQWKJH-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
O=S(=O)([N-]c1cncnc1Cl)c1cc(Cl)cc(Cl)c1[O-]	ZINC001251389780	1039106726	/nfs/dbraw/zinc/10/67/26/1039106726.db2.gz	HVLJSAGBEBQFIV-UHFFFAOYSA-N	-2	1	354.602	2.943	20	10		FFCDML
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1	ZINC000740147065	600424373	/nfs/dbraw/zinc/42/43/73/600424373.db2.gz	YSGDTICPYKFVCX-UHFFFAOYSA-N	-2	1	364.398	2.925	20	10		FFCDML
O=C([O-])NC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1	ZINC000740595592	602268641	/nfs/dbraw/zinc/26/86/41/602268641.db2.gz	GIWURFGZWRWGDE-UHFFFAOYSA-N	-2	1	370.405	2.561	20	10		FFCDML
O=C(NCCC1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000175257008	729091294	/nfs/dbraw/zinc/09/12/94/729091294.db2.gz	XVLGZZHZXKFWCC-UHFFFAOYSA-N	-2	1	366.464	2.784	20	10		FFCDML
Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)[O-]	ZINC000318417807	729748901	/nfs/dbraw/zinc/74/89/01/729748901.db2.gz	NCPABTZZUMACNN-UHFFFAOYSA-N	-2	1	365.194	2.537	20	10		FFCDML
COCCOCc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000872340991	731753308	/nfs/dbraw/zinc/75/33/08/731753308.db2.gz	XTMSWWVDPPTMPT-UHFFFAOYSA-N	-2	1	373.377	2.634	20	10		FFCDML
CC1(C)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000790234076	739428001	/nfs/dbraw/zinc/42/80/01/739428001.db2.gz	FGNBMRPUULUFRY-UHFFFAOYSA-N	-2	1	366.464	2.737	20	10		FFCDML
O=C([O-])c1csc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000808114391	741187874	/nfs/dbraw/zinc/18/78/74/741187874.db2.gz	WNGVOWACUDYHFL-UHFFFAOYSA-N	-2	1	351.764	2.745	20	10		FFCDML
Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cn2n1	ZINC001251394618	1039109382	/nfs/dbraw/zinc/10/93/82/1039109382.db2.gz	QHILPEXCLMRUGB-UHFFFAOYSA-N	-2	1	373.221	2.851	20	10		FFCDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-]	ZINC000833747404	605152138	/nfs/dbraw/zinc/15/21/38/605152138.db2.gz	XVPUDOPJGADCCT-UHFFFAOYSA-N	-2	1	358.375	2.748	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000013464068	727816604	/nfs/dbraw/zinc/81/66/04/727816604.db2.gz	PIPSBPDRVILDGA-UHFFFAOYSA-N	-2	1	372.196	2.654	20	10		FFCDML
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748778	738229351	/nfs/dbraw/zinc/22/93/51/738229351.db2.gz	GPGRHRQFCGXWIQ-UHFFFAOYSA-N	-2	1	370.814	2.813	20	10		FFCDML
CCOc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1C(=O)[O-]	ZINC001192648282	1004219310	/nfs/dbraw/zinc/21/93/10/1004219310.db2.gz	LXYJDOMGYLTDHX-UHFFFAOYSA-N	-2	1	373.333	2.568	20	10		FFCDML
O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc21	ZINC000821185020	742597890	/nfs/dbraw/zinc/59/78/90/742597890.db2.gz	JBENILDSRJRDHO-UHFFFAOYSA-N	-2	1	353.346	2.990	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001599809324	988305916	/nfs/dbraw/zinc/30/59/16/988305916.db2.gz	BUYMZILOFOUWLF-UHFFFAOYSA-N	-2	1	353.421	2.922	20	10		FFCDML
CCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1C(=O)[O-]	ZINC001192638817	1004229054	/nfs/dbraw/zinc/22/90/54/1004229054.db2.gz	FCLMBFIDPYTVOG-UHFFFAOYSA-N	-2	1	373.333	2.568	20	10		FFCDML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1	ZINC001187582264	1006164089	/nfs/dbraw/zinc/16/40/89/1006164089.db2.gz	QJTGQHHYKXBAPH-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3CCOCC3)c1C2=O	ZINC001227994648	1035860917	/nfs/dbraw/zinc/86/09/17/1035860917.db2.gz	OMIMBTVRUVVDGB-UHFFFAOYSA-N	-2	1	354.358	2.739	20	10		FFCDML
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833746902	604691185	/nfs/dbraw/zinc/69/11/85/604691185.db2.gz	LHNLPWYIVWOPAZ-UHFFFAOYSA-N	-2	1	350.396	2.718	20	10		FFCDML
Cn1nc2c(c1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F)CCCC2	ZINC000872372052	731758186	/nfs/dbraw/zinc/75/81/86/731758186.db2.gz	UTLBPXHOSUEHPA-UHFFFAOYSA-N	-2	1	359.810	2.598	20	10		FFCDML
COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)[O-]	ZINC000790391827	739446982	/nfs/dbraw/zinc/44/69/82/739446982.db2.gz	YQIYETMAXZSHFO-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCOC[C@@H]3F)c1C2=O	ZINC001227993363	1035856518	/nfs/dbraw/zinc/85/65/18/1035856518.db2.gz	BERVLCHLOVPSBI-ZFWWWQNUSA-N	-2	1	372.348	2.687	20	10		FFCDML
O=C(NCc1cccc(Cl)c1[O-])c1ncc(Br)cc1[O-]	ZINC001457035834	1060261040	/nfs/dbraw/zinc/26/10/40/1060261040.db2.gz	KSJKZMDFTFFNPN-UHFFFAOYSA-N	-2	1	357.591	2.839	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O	ZINC000013464092	727816583	/nfs/dbraw/zinc/81/65/83/727816583.db2.gz	HNZUWDKJDOGFDB-UHFFFAOYSA-N	-2	1	361.297	2.910	20	10		FFCDML
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776751433	738229875	/nfs/dbraw/zinc/22/98/75/738229875.db2.gz	VKAZAJVIXGIVAF-UHFFFAOYSA-N	-3	1	357.771	2.559	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000797820396	740276380	/nfs/dbraw/zinc/27/63/80/740276380.db2.gz	VXQQWFKYTGQTNE-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000811671279	741547025	/nfs/dbraw/zinc/54/70/25/741547025.db2.gz	QBISAVALCLFBIR-UHFFFAOYSA-N	-2	1	371.798	2.691	20	10		FFCDML
CC1(C)C[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000839814404	746930253	/nfs/dbraw/zinc/93/02/53/746930253.db2.gz	ADQKKZKKSNGVEJ-ZDUSSCGKSA-N	-2	1	366.464	2.783	20	10		FFCDML
O=C1NCc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc21	ZINC001251418672	1039121727	/nfs/dbraw/zinc/12/17/27/1039121727.db2.gz	GNFSNBUHBHFXBN-UHFFFAOYSA-N	-2	1	373.217	2.743	20	10		FFCDML
CC(C)(C)ONC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001319591774	1045206179	/nfs/dbraw/zinc/20/61/79/1045206179.db2.gz	SHXWYJJWNWZNFH-UHFFFAOYSA-N	-2	1	370.452	2.714	20	10		FFCDML
CN(CC1CC1)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000081943725	728406164	/nfs/dbraw/zinc/40/61/64/728406164.db2.gz	KHTTZBGUEOOSLC-UHFFFAOYSA-N	-2	1	366.464	2.737	20	10		FFCDML
C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C1CC1	ZINC000177028125	729126243	/nfs/dbraw/zinc/12/62/43/729126243.db2.gz	XOWMAJUUEKPWPX-SNVBAGLBSA-N	-2	1	366.464	2.783	20	10		FFCDML
CC(C)(F)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000869623376	731420897	/nfs/dbraw/zinc/42/08/97/731420897.db2.gz	FEILHTSRWNBFII-UHFFFAOYSA-N	-2	1	372.443	2.732	20	10		FFCDML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753014670	736031207	/nfs/dbraw/zinc/03/12/07/736031207.db2.gz	CIJBNQZWUAYDPE-UHFFFAOYSA-N	-2	1	357.334	2.648	20	10		FFCDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000753522793	736074646	/nfs/dbraw/zinc/07/46/46/736074646.db2.gz	ULEZPSTVGHWQIT-UHFFFAOYSA-N	-2	1	367.339	2.572	20	10		FFCDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286341	738078722	/nfs/dbraw/zinc/07/87/22/738078722.db2.gz	PQEFDFWSJUHOFO-UHFFFAOYSA-N	-2	1	367.339	2.626	20	10		FFCDML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C)c(C)c1O	ZINC000775292343	738080034	/nfs/dbraw/zinc/08/00/34/738080034.db2.gz	YNQIVMJRXOMXMQ-UHFFFAOYSA-N	-2	1	351.380	2.522	20	10		FFCDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000792701899	739695357	/nfs/dbraw/zinc/69/53/57/739695357.db2.gz	GQPWBXNCZSEXDM-UHFFFAOYSA-N	-2	1	357.384	2.752	20	10		FFCDML
C[C@@H](F)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000818291860	742259107	/nfs/dbraw/zinc/25/91/07/742259107.db2.gz	UHFFVJZEWRHGDI-SNVBAGLBSA-N	-2	1	372.443	2.732	20	10		FFCDML
O=C([O-])[C@]1(C(=O)NCc2cccc(Br)c2[O-])CC=CCC1	ZINC001594862896	954290435	/nfs/dbraw/zinc/29/04/35/954290435.db2.gz	CMXMDRFHPSAGBZ-OAHLLOKOSA-N	-2	1	354.200	2.582	20	10		FFCDML
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCOC[C@@H]3F)c1C2=O	ZINC001227993360	1035856393	/nfs/dbraw/zinc/85/63/93/1035856393.db2.gz	BERVLCHLOVPSBI-DZGCQCFKSA-N	-2	1	372.348	2.687	20	10		FFCDML
O=C([O-])[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738718382	600715241	/nfs/dbraw/zinc/71/52/41/600715241.db2.gz	FUFHKLQXAFRFCY-AWEZNQCLSA-N	-2	1	355.390	2.625	20	10		FFCDML
O=C([O-])[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000738718382	600715243	/nfs/dbraw/zinc/71/52/43/600715243.db2.gz	FUFHKLQXAFRFCY-AWEZNQCLSA-N	-2	1	355.390	2.625	20	10		FFCDML
C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000828028950	601886374	/nfs/dbraw/zinc/88/63/74/601886374.db2.gz	IXWIRJVARALSJJ-HXUWFJFHSA-N	-2	1	355.390	2.625	20	10		FFCDML
C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000828028950	601886375	/nfs/dbraw/zinc/88/63/75/601886375.db2.gz	IXWIRJVARALSJJ-HXUWFJFHSA-N	-2	1	355.390	2.625	20	10		FFCDML
O=C([O-])CCCN1C(=O)/C(=C/c2cc(F)c([O-])c(F)c2)SC1=S	ZINC000749933284	735760647	/nfs/dbraw/zinc/76/06/47/735760647.db2.gz	DOECPBBGZBTYSX-POHAHGRESA-N	-2	1	359.375	2.736	20	10		FFCDML
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753022638	736032239	/nfs/dbraw/zinc/03/22/39/736032239.db2.gz	ZOQDVZJOGLOOJA-UHFFFAOYSA-N	-2	1	368.361	2.598	20	10		FFCDML
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cs1	ZINC000808113899	741188068	/nfs/dbraw/zinc/18/80/68/741188068.db2.gz	LFQZAFZPTAWFSI-UHFFFAOYSA-N	-2	1	365.791	2.834	20	10		FFCDML
CCOc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1C(=O)[O-]	ZINC001192640059	1004230720	/nfs/dbraw/zinc/23/07/20/1004230720.db2.gz	PKMMOQIRCFDUFG-UHFFFAOYSA-N	-2	1	373.333	2.568	20	10		FFCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000013464049	727816463	/nfs/dbraw/zinc/81/64/63/727816463.db2.gz	MEPGVOXUSZTJLO-UHFFFAOYSA-N	-2	1	361.297	2.910	20	10		FFCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1O	ZINC000782259300	738703481	/nfs/dbraw/zinc/70/34/81/738703481.db2.gz	PSCBFCXTDURAQF-UHFFFAOYSA-N	-2	1	360.347	2.546	20	10		FFCDML
CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000776435115	738194085	/nfs/dbraw/zinc/19/40/85/738194085.db2.gz	YIMQAVVSUBGSPZ-UHFFFAOYSA-N	-2	1	363.391	2.730	20	10		FFCDML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)ccc1O	ZINC000797820232	740276342	/nfs/dbraw/zinc/27/63/42/740276342.db2.gz	MUXDFQIDRZTHJP-UHFFFAOYSA-N	-2	1	371.798	2.862	20	10		FFCDML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1	ZINC001187578914	1006162488	/nfs/dbraw/zinc/16/24/88/1006162488.db2.gz	ILYQDXVGBDEXJW-UHFFFAOYSA-N	-2	1	363.725	2.823	20	10		FFCDML
O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1[N-]S(=O)(=O)C1CCC1	ZINC001188137607	1006425270	/nfs/dbraw/zinc/42/52/70/1006425270.db2.gz	VRCTULPYHONMJR-UHFFFAOYSA-N	-2	1	373.430	2.839	20	10		FFCDML