smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Cl	ZINC000009061838	204353335	/nfs/dbraw/zinc/35/33/35/204353335.db2.gz	MIJRCGGTHSENOU-UHFFFAOYSA-N	-2	1	369.826	3.628	50	0		FHAAML
Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1	ZINC000047318207	206079772	/nfs/dbraw/zinc/07/97/72/206079772.db2.gz	JHZLKYRJWUOOPC-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1	ZINC000010512317	206279421	/nfs/dbraw/zinc/27/94/21/206279421.db2.gz	CLNRQVMOIPMKSV-UHFFFAOYSA-N	-2	1	359.428	3.914	50	0		FHAAML
CCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000012536088	206292676	/nfs/dbraw/zinc/29/26/76/206292676.db2.gz	RKSCVQXAKHVUJL-UHFFFAOYSA-N	-2	1	353.827	3.792	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1F	ZINC000023716809	568416727	/nfs/dbraw/zinc/41/67/27/568416727.db2.gz	ZKBHHSHGHIQAQH-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000009002238	204352005	/nfs/dbraw/zinc/35/20/05/204352005.db2.gz	OQQOVJQWMCDDLR-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C	ZINC000008105475	206246669	/nfs/dbraw/zinc/24/66/69/206246669.db2.gz	KRJSWCSINDPSSF-UHFFFAOYSA-N	-2	1	357.790	3.595	50	0		FHAAML
CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000013078591	206299411	/nfs/dbraw/zinc/29/94/11/206299411.db2.gz	IQONRWAEGUBVDD-UHFFFAOYSA-N	-2	1	351.449	3.524	50	0		FHAAML
CC(C)=CCC1=C([O-])C2=C([O-])C(=O)C(c3ccc(O)cc3)OC2=CC1=O	ZINC000014762755	560097112	/nfs/dbraw/zinc/09/71/12/560097112.db2.gz	TVMHBSODLWMMMV-UHFFFAOYSA-N	-2	1	354.358	3.791	50	0	endogenous,in-man	FHAAML
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12	ZINC000032601567	571058680	/nfs/dbraw/zinc/05/86/80/571058680.db2.gz	UUQSQAWGJUQSSD-UHFFFAOYSA-N	-2	1	371.414	3.738	50	0		FHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl	ZINC000003340502	206233210	/nfs/dbraw/zinc/23/32/10/206233210.db2.gz	ZMCQPKFVAFXADF-WEVVVXLNSA-N	-2	1	351.811	3.547	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C	ZINC000005133969	570775469	/nfs/dbraw/zinc/77/54/69/570775469.db2.gz	LGXMUCZJIIRBSI-UHFFFAOYSA-N	-2	1	353.827	3.764	50	0		FHAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1	ZINC000058357655	571350886	/nfs/dbraw/zinc/35/08/86/571350886.db2.gz	PMFIXKOHMPPZIQ-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1	ZINC000047318141	206079084	/nfs/dbraw/zinc/07/90/84/206079084.db2.gz	KLQXSJSVEPWAFK-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000014097328	206309371	/nfs/dbraw/zinc/30/93/71/206309371.db2.gz	RGHOECFQPQWASI-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1C	ZINC000005133660	570588616	/nfs/dbraw/zinc/58/86/16/570588616.db2.gz	YFKIPSVGQLRDKK-UHFFFAOYSA-N	-2	1	355.415	3.956	50	0		FHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])cc1	ZINC000013078352	570773474	/nfs/dbraw/zinc/77/34/74/570773474.db2.gz	HQIBHVHULZHCAW-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000033047688	571121350	/nfs/dbraw/zinc/12/13/50/571121350.db2.gz	LCALUXCCPXLEHW-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
CCCCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000007813987	206245832	/nfs/dbraw/zinc/24/58/32/206245832.db2.gz	JYDLMZYTCACAQI-UHFFFAOYSA-N	-2	1	361.463	3.847	50	0		FHAAML
O=C([O-])c1ccc(CNCc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000013689653	570784994	/nfs/dbraw/zinc/78/49/94/570784994.db2.gz	LZIXFQRNYIMZOI-UHFFFAOYSA-N	-2	1	351.358	3.633	50	0		FHAAML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000032601594	571058650	/nfs/dbraw/zinc/05/86/50/571058650.db2.gz	XCLXSMUQNMABMQ-UHFFFAOYSA-N	-2	1	371.414	3.738	50	0		FHAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000003227317	204082949	/nfs/dbraw/zinc/08/29/49/204082949.db2.gz	IZEATXHGLJMWIR-RMKNXTFCSA-N	-2	1	371.336	3.604	50	0		FHAAML
CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000012605385	206293904	/nfs/dbraw/zinc/29/39/04/206293904.db2.gz	VUUKPAYGVNIZKZ-UHFFFAOYSA-N	-2	1	357.840	3.561	50	0		FHAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000012557206	206293943	/nfs/dbraw/zinc/29/39/43/206293943.db2.gz	CLVRAYCWJMLSFH-JLHYYAGUSA-N	-2	1	353.399	3.738	50	0		FHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C(=O)[O-]	ZINC000015347991	206314309	/nfs/dbraw/zinc/31/43/09/206314309.db2.gz	VGSAZMQBYVEGFS-UHFFFAOYSA-N	-2	1	373.402	3.809	50	0		FHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000000888005	571123580	/nfs/dbraw/zinc/12/35/80/571123580.db2.gz	MJINLPVCIKOFCV-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1	ZINC000036287672	204373096	/nfs/dbraw/zinc/37/30/96/204373096.db2.gz	XIVVLFAUTMRRGK-XCVCLJGOSA-N	-2	1	371.336	3.604	50	0		FHAAML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)sc1C(=O)[O-]	ZINC000037238856	204561116	/nfs/dbraw/zinc/56/11/16/204561116.db2.gz	HMMDNBLCFKPEGZ-UHFFFAOYSA-N	-2	1	366.247	3.862	50	0		FHAAML
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1	ZINC000084341009	205122868	/nfs/dbraw/zinc/12/28/68/205122868.db2.gz	XSLUNGLKCIESGZ-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1	ZINC000047318205	206079617	/nfs/dbraw/zinc/07/96/17/206079617.db2.gz	XPMKPYDLUWPUIA-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000013342220	206301656	/nfs/dbraw/zinc/30/16/56/206301656.db2.gz	VNCWJGQZEQCBLY-UHFFFAOYSA-N	-2	1	353.827	3.962	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccccc32)c1C	ZINC000005133624	570588601	/nfs/dbraw/zinc/58/86/01/570588601.db2.gz	IDCTZNGEAFHFFX-UHFFFAOYSA-N	-2	1	355.415	3.956	50	0		FHAAML
CCCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000028051460	571026568	/nfs/dbraw/zinc/02/65/68/571026568.db2.gz	OPJAJWGXEYCJNI-UHFFFAOYSA-N	-2	1	369.826	3.628	50	0		FHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1	ZINC000032918508	571060102	/nfs/dbraw/zinc/06/01/02/571060102.db2.gz	UONHUHLBHUDTKA-UHFFFAOYSA-N	-2	1	371.389	3.992	50	0		FHAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000012526046	571174237	/nfs/dbraw/zinc/17/42/37/571174237.db2.gz	ZEEFTWAMNIZZPX-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000032601649	571308430	/nfs/dbraw/zinc/30/84/30/571308430.db2.gz	POTOJALKNHSJEB-UHFFFAOYSA-N	-2	1	371.414	3.738	50	0		FHAAML
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000057996784	568304795	/nfs/dbraw/zinc/30/47/95/568304795.db2.gz	SLHWCVBLZZZIEQ-UHFFFAOYSA-N	-2	1	353.827	3.792	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1	ZINC000003884720	570570286	/nfs/dbraw/zinc/57/02/86/570570286.db2.gz	SJGLSXQBPIJTSK-UHFFFAOYSA-N	-2	1	359.375	3.500	50	0		FHAAML
Cc1c(Br)c([O-])c(Br)c([O-])c1Br	ZINC000000640795	571130752	/nfs/dbraw/zinc/13/07/52/571130752.db2.gz	LGNJOSCBEAIVNB-UHFFFAOYSA-N	-2	1	360.827	3.694	50	0		FHAAML
CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21	ZINC000063476070	571170474	/nfs/dbraw/zinc/17/04/74/571170474.db2.gz	PDFNHIKPFPPXCW-UHFFFAOYSA-N	-2	1	372.446	3.796	50	0		FHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1	ZINC000007708248	571286179	/nfs/dbraw/zinc/28/61/79/571286179.db2.gz	GIKCUINIECOPPQ-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)[O-])c3c2)cc1	ZINC000004660892	207035140	/nfs/dbraw/zinc/03/51/40/207035140.db2.gz	HENRGIXNZGQUPE-UHFFFAOYSA-N	-2	1	359.403	3.803	50	0		FHAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000013278883	571323198	/nfs/dbraw/zinc/32/31/98/571323198.db2.gz	ULMKORFZJILWFG-UHFFFAOYSA-N	-2	1	351.449	3.524	50	0		FHAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C	ZINC000058370568	571131704	/nfs/dbraw/zinc/13/17/04/571131704.db2.gz	NYYFCCIFTGRMCB-UHFFFAOYSA-N	-2	1	371.867	3.869	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(Cl)c1Cl	ZINC000058488275	571133319	/nfs/dbraw/zinc/13/33/19/571133319.db2.gz	QKFOUPAUKSYXTD-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C	ZINC000006509186	571206189	/nfs/dbraw/zinc/20/61/89/571206189.db2.gz	CQYVFJIRVFCASP-UHFFFAOYSA-N	-2	1	353.827	3.764	50	0		FHAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000014097288	571271687	/nfs/dbraw/zinc/27/16/87/571271687.db2.gz	HZRGKIMRJWTHBI-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl	ZINC000047318178	209328036	/nfs/dbraw/zinc/32/80/36/209328036.db2.gz	KEWNTZZFULXJSG-UHFFFAOYSA-N	-2	1	361.806	3.992	50	0		FHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1	ZINC000000888009	570462804	/nfs/dbraw/zinc/46/28/04/570462804.db2.gz	DYAJQJOKLKIBDB-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1	ZINC000003186063	570553950	/nfs/dbraw/zinc/55/39/50/570553950.db2.gz	RXJZUNUPHJTJNO-UHFFFAOYSA-N	-2	1	359.375	3.500	50	0		FHAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000005134121	570588683	/nfs/dbraw/zinc/58/86/83/570588683.db2.gz	SACQCMSCGQBHDS-UHFFFAOYSA-N	-2	1	374.245	3.811	50	0		FHAAML
O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)[N-]OCc1ccccc1	ZINC000010319182	571124906	/nfs/dbraw/zinc/12/49/06/571124906.db2.gz	DSQDCKCUXUVXIF-UHFFFAOYSA-N	-2	1	374.853	3.509	50	0		FHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1	ZINC000003361136	206973833	/nfs/dbraw/zinc/97/38/33/206973833.db2.gz	JIDLQVJSXXNSMO-UHFFFAOYSA-N	-2	1	367.426	3.776	50	0		FHAAML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1	ZINC000075582005	208197228	/nfs/dbraw/zinc/19/72/28/208197228.db2.gz	JHTZNTIRJFUNEV-UHFFFAOYSA-N	-2	1	359.325	3.571	50	0		FHAAML
O=C([N-]n1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S)c1ccco1	ZINC000017075714	570867360	/nfs/dbraw/zinc/86/73/60/570867360.db2.gz	MEZXXEIFNADXDQ-UHFFFAOYSA-N	-2	1	369.427	3.764	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C	ZINC000008508584	571048976	/nfs/dbraw/zinc/04/89/76/571048976.db2.gz	MSTGOALKMQQMBR-UHFFFAOYSA-N	-2	1	353.827	3.764	50	0		FHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C(=O)[O-])o2)cc1	ZINC000226353536	571340830	/nfs/dbraw/zinc/34/08/30/571340830.db2.gz	GTGUOXIOFWCKDU-UHFFFAOYSA-N	-2	1	357.387	3.754	50	0		FHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1	ZINC000003291522	571346759	/nfs/dbraw/zinc/34/67/59/571346759.db2.gz	NFFFXPZENJBKRP-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2o1	ZINC000032097486	208026277	/nfs/dbraw/zinc/02/62/77/208026277.db2.gz	LUPIGFNACCYJRP-UHFFFAOYSA-N	-2	1	374.418	3.624	50	0		FHAAML
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000032601645	208031950	/nfs/dbraw/zinc/03/19/50/208031950.db2.gz	XHKCFLMTOQXWKH-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1Cl	ZINC000078938563	208208241	/nfs/dbraw/zinc/20/82/41/208208241.db2.gz	DPCQSAFFVSNXGS-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2o1	ZINC000046303792	208363769	/nfs/dbraw/zinc/36/37/69/208363769.db2.gz	VQYAUZQXXJKSOA-UHFFFAOYSA-N	-2	1	374.418	3.624	50	0		FHAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4ccccc43)c1)CCC2	ZINC000069420227	571098108	/nfs/dbraw/zinc/09/81/08/571098108.db2.gz	JGLUCSLXIZKHHI-UHFFFAOYSA-N	-2	1	367.426	3.828	50	0		FHAAML
CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000005133573	570588436	/nfs/dbraw/zinc/58/84/36/570588436.db2.gz	BKVWMBVKESCOPY-UHFFFAOYSA-N	-2	1	351.449	3.524	50	0		FHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1C	ZINC000005133732	570588611	/nfs/dbraw/zinc/58/86/11/570588611.db2.gz	ODGZONGJFOUNNO-UHFFFAOYSA-N	-2	1	373.352	3.821	50	0		FHAAML
CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1	ZINC000079066346	571326818	/nfs/dbraw/zinc/32/68/18/571326818.db2.gz	MESWZQYARQQMEB-UHFFFAOYSA-N	-2	1	369.826	3.546	50	0		FHAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000008104968	571358947	/nfs/dbraw/zinc/35/89/47/571358947.db2.gz	AHIWSKGZXJNNOG-UHFFFAOYSA-N	-2	1	355.415	3.658	50	0		FHAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1	ZINC000012605578	220013309	/nfs/dbraw/zinc/01/33/09/220013309.db2.gz	XYJQIOJCCSMCRM-UHFFFAOYSA-N	-2	1	373.352	3.523	50	0		FHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl	ZINC000047318107	570885800	/nfs/dbraw/zinc/88/58/00/570885800.db2.gz	HWUOFBHQIJZNQS-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1	ZINC000007708307	571286129	/nfs/dbraw/zinc/28/61/29/571286129.db2.gz	MHNISNOFHDJOMH-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1	ZINC000058431681	221119450	/nfs/dbraw/zinc/11/94/50/221119450.db2.gz	QJQRSIWUXYHKTO-UHFFFAOYSA-N	-2	1	351.399	3.622	50	0		FHAAML
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1	ZINC000007745946	571287863	/nfs/dbraw/zinc/28/78/63/571287863.db2.gz	LFWZEKXWMRXSSJ-UHFFFAOYSA-N	-2	1	351.449	3.524	50	0		FHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1	ZINC000007708190	219819085	/nfs/dbraw/zinc/81/90/85/219819085.db2.gz	HZCKSCTXLRCFPD-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000013464625	220068581	/nfs/dbraw/zinc/06/85/81/220068581.db2.gz	QWDGODFZVIRJMB-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)sc1C(=O)[O-]	ZINC000037225800	211060479	/nfs/dbraw/zinc/06/04/79/211060479.db2.gz	UHJWJLRVVWQUPT-UHFFFAOYSA-N	-2	1	366.247	3.862	50	0		FHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1	ZINC000012535922	210966885	/nfs/dbraw/zinc/96/68/85/210966885.db2.gz	KUCPKFUZTUKLIJ-UHFFFAOYSA-N	-2	1	361.419	3.507	50	0		FHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1	ZINC000002633039	570526656	/nfs/dbraw/zinc/52/66/56/570526656.db2.gz	LVDGNNPNKCSKFC-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl	ZINC000003198700	570554407	/nfs/dbraw/zinc/55/44/07/570554407.db2.gz	VCKGEUQEYFBEPU-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1	ZINC000032601651	571058741	/nfs/dbraw/zinc/05/87/41/571058741.db2.gz	KULMRMPKELUUKN-UHFFFAOYSA-N	-2	1	361.806	3.992	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1	ZINC000007057555	571259660	/nfs/dbraw/zinc/25/96/60/571259660.db2.gz	HTSQBDLUGABSAB-UHFFFAOYSA-N	-2	1	367.426	3.776	50	0		FHAAML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1	ZINC000062640786	221140037	/nfs/dbraw/zinc/14/00/37/221140037.db2.gz	IINJCLADFHOZGI-UHFFFAOYSA-N	-2	1	373.352	3.767	50	0		FHAAML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1	ZINC000096931287	222142272	/nfs/dbraw/zinc/14/22/72/222142272.db2.gz	HEHNQVPRIDCTQB-BAQGIRSFSA-N	-2	1	359.428	3.800	50	0		FHAAML
O=C([O-])c1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccccc1F	ZINC000003335172	570560893	/nfs/dbraw/zinc/56/08/93/570560893.db2.gz	ZLAJEUNNFGHYBJ-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21	ZINC000032601564	570953063	/nfs/dbraw/zinc/95/30/63/570953063.db2.gz	AXKTYNROMLHFFS-UHFFFAOYSA-N	-2	1	361.806	3.992	50	0		FHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1	ZINC000058354961	221115482	/nfs/dbraw/zinc/11/54/82/221115482.db2.gz	BOVXBIFXJAAFGK-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000095946192	570471696	/nfs/dbraw/zinc/47/16/96/570471696.db2.gz	IRZFKGVOPCLPJZ-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000007057203	571259706	/nfs/dbraw/zinc/25/97/06/571259706.db2.gz	SDCRGOPIESVPPT-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1	ZINC000012773858	220028358	/nfs/dbraw/zinc/02/83/58/220028358.db2.gz	BZPYLQXQEDORKU-UHFFFAOYSA-N	-2	1	353.399	3.853	50	0		FHAAML
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000058330067	221115171	/nfs/dbraw/zinc/11/51/71/221115171.db2.gz	KRRGZAMITYAXSX-UHFFFAOYSA-N	-2	1	363.341	3.617	50	0		FHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000003186054	570553941	/nfs/dbraw/zinc/55/39/41/570553941.db2.gz	SDCKTRXYNWWKLT-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
CCCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000009061839	570691222	/nfs/dbraw/zinc/69/12/22/570691222.db2.gz	AKOCMYIBCVBULD-UHFFFAOYSA-N	-2	1	369.826	3.628	50	0		FHAAML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000003319733	571347322	/nfs/dbraw/zinc/34/73/22/571347322.db2.gz	CZYCQZZEHHXUJT-UHFFFAOYSA-N	-2	1	361.806	3.992	50	0		FHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl	ZINC000006714184	601316562	/nfs/dbraw/zinc/31/65/62/601316562.db2.gz	ZMCQPKFVAFXADF-UITAMQMPSA-N	-2	1	351.811	3.547	50	0		FHAAML
CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000013033077	220054870	/nfs/dbraw/zinc/05/48/70/220054870.db2.gz	VHFFOGQISAUXBI-UHFFFAOYSA-N	-2	1	357.840	3.561	50	0		FHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000058421362	221118126	/nfs/dbraw/zinc/11/81/26/221118126.db2.gz	TYTDXYQVJRAMHE-UHFFFAOYSA-N	-2	1	360.218	3.801	50	0		FHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1	ZINC000032918507	571060140	/nfs/dbraw/zinc/06/01/40/571060140.db2.gz	CRRYKTZLRSKPNR-UHFFFAOYSA-N	-2	1	371.389	3.992	50	0		FHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Cl	ZINC000078938638	571152970	/nfs/dbraw/zinc/15/29/70/571152970.db2.gz	MMQOKDOPTPKFCR-UHFFFAOYSA-N	-2	1	361.753	3.777	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3sccc3c2)ccc1F	ZINC000013454034	220068199	/nfs/dbraw/zinc/06/81/99/220068199.db2.gz	NKOFZGUHGGDYAQ-UHFFFAOYSA-N	-2	1	351.380	3.539	50	0		FHAAML
Cc1oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)[O-]	ZINC000005234931	570638469	/nfs/dbraw/zinc/63/84/69/570638469.db2.gz	REQRYHBGVXYGHI-UHFFFAOYSA-N	-2	1	359.403	3.857	50	0		FHAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000047318113	570885894	/nfs/dbraw/zinc/88/58/94/570885894.db2.gz	KTUZALKXTBMKTG-UHFFFAOYSA-N	-2	1	353.827	3.962	50	0		FHAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C	ZINC000058394328	571131924	/nfs/dbraw/zinc/13/19/24/571131924.db2.gz	BCLANNYBKYCJKF-UHFFFAOYSA-N	-2	1	371.867	3.869	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1F	ZINC000007057200	571259664	/nfs/dbraw/zinc/25/96/64/571259664.db2.gz	ADQSQIKOSIVSHI-UHFFFAOYSA-N	-2	1	371.389	3.992	50	0		FHAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)[O-]	ZINC000004641459	219592181	/nfs/dbraw/zinc/59/21/81/219592181.db2.gz	GLXKIRZLTZWZTG-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1	ZINC000032601596	571058708	/nfs/dbraw/zinc/05/87/08/571058708.db2.gz	ZWYGWUPUQUVVGA-UHFFFAOYSA-N	-2	1	361.806	3.992	50	0		FHAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1	ZINC000013454027	220068798	/nfs/dbraw/zinc/06/87/98/220068798.db2.gz	HEHNQVPRIDCTQB-FPYGCLRLSA-N	-2	1	359.428	3.800	50	0		FHAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000013464563	220068923	/nfs/dbraw/zinc/06/89/23/220068923.db2.gz	DNWXJQJCUWGJPQ-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C	ZINC000058370863	221116174	/nfs/dbraw/zinc/11/61/74/221116174.db2.gz	MXJGWSKQDORBHU-UHFFFAOYSA-N	-2	1	371.867	3.869	50	0		FHAAML
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2)cs1	ZINC000006581674	571210624	/nfs/dbraw/zinc/21/06/24/571210624.db2.gz	BOTQKGKOMVUYMM-UHFFFAOYSA-N	-2	1	374.443	3.618	50	0		FHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1Cl	ZINC000012864664	220037104	/nfs/dbraw/zinc/03/71/04/220037104.db2.gz	IJDZGKUCHMDRJH-UHFFFAOYSA-N	-2	1	364.181	3.632	50	0		FHAAML
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1	ZINC000019994091	220309406	/nfs/dbraw/zinc/30/94/06/220309406.db2.gz	CSHQWJSKMZIQLW-UHFFFAOYSA-N	-2	1	352.220	3.554	50	0		FHAAML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000096742793	222129025	/nfs/dbraw/zinc/12/90/25/222129025.db2.gz	AFZDHUBWROYKID-UTCJRWHESA-N	-2	1	372.229	3.892	50	0		FHAAML
Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)[O-]	ZINC000004660894	570599317	/nfs/dbraw/zinc/59/93/17/570599317.db2.gz	UZVVWRBCUSWUON-UHFFFAOYSA-N	-2	1	365.794	3.894	50	0	in-vitro	FHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1	ZINC000012521411	220002071	/nfs/dbraw/zinc/00/20/71/220002071.db2.gz	HBYQXBCGSWWSFH-UHFFFAOYSA-N	-2	1	359.325	3.513	50	0		FHAAML