smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1F	ZINC000749146143	601224439	/nfs/dbraw/zinc/22/44/39/601224439.db2.gz	RNWRLLCAJRSKOQ-UHFFFAOYSA-N	-2	2	395.408	2.995	20	0		GFADLL
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cc1C(=O)[O-]	ZINC000833050581	601783861	/nfs/dbraw/zinc/78/38/61/601783861.db2.gz	HVATXWYHSHGNFC-UHFFFAOYSA-N	-2	2	393.204	2.529	20	0		GFADLL
Cc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000738335170	600679131	/nfs/dbraw/zinc/67/91/31/600679131.db2.gz	CLJMPCHKUFJJCD-UHFFFAOYSA-N	-2	2	390.355	2.848	20	0		GFADLL
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000431186739	563556716	/nfs/dbraw/zinc/55/67/16/563556716.db2.gz	JJJGWSQWXXOXOP-UHFFFAOYSA-N	-2	2	395.336	2.964	20	0		GFADLL
Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cc(C)c(F)cc2F)c1	ZINC000175771418	552128603	/nfs/dbraw/zinc/12/86/03/552128603.db2.gz	IRWSXFMRLCNPRD-UHFFFAOYSA-N	-2	2	390.433	2.754	20	0		GFADLL
CS(=O)(=O)Nc1nnc(NC(=O)c2c(Cl)cc(F)cc2Cl)s1	ZINC000431477885	563560481	/nfs/dbraw/zinc/56/04/81/563560481.db2.gz	NLVXMFOFKNWCFD-UHFFFAOYSA-N	-2	2	385.229	2.608	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1F	ZINC000832868360	601224606	/nfs/dbraw/zinc/22/46/06/601224606.db2.gz	QUBIZPPSBUIAGU-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
CC(C)Oc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cccc1C(=O)[O-]	ZINC000410399119	563589948	/nfs/dbraw/zinc/58/99/48/563589948.db2.gz	CXIHLIGLNXSLEZ-UHFFFAOYSA-N	-2	2	385.419	2.733	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000265738413	600898609	/nfs/dbraw/zinc/89/86/09/600898609.db2.gz	FDKJNWFENCZYTE-UHFFFAOYSA-N	-2	2	383.447	2.918	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1F	ZINC000749142335	601223894	/nfs/dbraw/zinc/22/38/94/601223894.db2.gz	NAUSYDYXUCTLEF-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C(=O)[O-]	ZINC000753781250	655858666	/nfs/dbraw/zinc/85/86/66/655858666.db2.gz	XVINDYRMQJWTFW-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000833741999	605127274	/nfs/dbraw/zinc/12/72/74/605127274.db2.gz	ZDLPLACWLDVHOK-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1	ZINC000758149497	655924129	/nfs/dbraw/zinc/92/41/29/655924129.db2.gz	XNOZXWFYOGETKK-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-]	ZINC000758149004	655924142	/nfs/dbraw/zinc/92/41/42/655924142.db2.gz	QVGQZCVDXMUCJV-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1F	ZINC000749144686	601224148	/nfs/dbraw/zinc/22/41/48/601224148.db2.gz	ZOYXFKPLJMVKHH-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000827047469	601575944	/nfs/dbraw/zinc/57/59/44/601575944.db2.gz	JJFRCSVOJGNYLX-UHFFFAOYSA-N	-2	2	385.419	2.733	20	0		GFADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000475735600	564317349	/nfs/dbraw/zinc/31/73/49/564317349.db2.gz	RTUPCTRJVKYJNY-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c(C(=O)[O-])[nH]1	ZINC000738461465	600255829	/nfs/dbraw/zinc/25/58/29/600255829.db2.gz	DJHWPDSTLMPHQR-UHFFFAOYSA-N	-2	2	393.204	2.827	20	0		GFADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000833300861	601486523	/nfs/dbraw/zinc/48/65/23/601486523.db2.gz	PATKXDSONSMERE-UHFFFAOYSA-N	-2	2	397.217	2.647	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])sc1C(=O)[O-]	ZINC000518646126	564558740	/nfs/dbraw/zinc/55/87/40/564558740.db2.gz	MZWLSBUCFHLMQE-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1F	ZINC000832868231	601224397	/nfs/dbraw/zinc/22/43/97/601224397.db2.gz	JAEUVZPTUGANJU-UHFFFAOYSA-N	-2	2	386.332	2.862	20	0		GFADLL
Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000832872148	601335430	/nfs/dbraw/zinc/33/54/30/601335430.db2.gz	JWTCFTYUVCVBTN-UHFFFAOYSA-N	-2	2	385.344	2.779	20	0		GFADLL
Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000833744669	605169265	/nfs/dbraw/zinc/16/92/65/605169265.db2.gz	LYQUQIUSHLZNHZ-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000736232919	600678676	/nfs/dbraw/zinc/67/86/76/600678676.db2.gz	SAWCXGWZDQZPAY-UHFFFAOYSA-N	-2	2	381.381	2.687	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000830138414	603404186	/nfs/dbraw/zinc/40/41/86/603404186.db2.gz	UDVKDMMWZQYTIH-SECBINFHSA-N	-2	2	384.435	2.884	20	0		GFADLL
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000443357031	563802748	/nfs/dbraw/zinc/80/27/48/563802748.db2.gz	DJNDEYJLRHHAGE-UHFFFAOYSA-N	-2	2	385.419	2.733	20	0		GFADLL
Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000826267557	609530461	/nfs/dbraw/zinc/53/04/61/609530461.db2.gz	KQRBEFCZLZPTQW-UHFFFAOYSA-N	-2	2	385.236	2.678	20	0		GFADLL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cs1	ZINC000740154539	600237774	/nfs/dbraw/zinc/23/77/74/600237774.db2.gz	FOUNVUGWKVUNGX-UHFFFAOYSA-N	-2	2	393.345	2.547	20	0		GFADLL
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1	ZINC000748671212	601249780	/nfs/dbraw/zinc/24/97/80/601249780.db2.gz	FCNHNNQCMJPZHV-UHFFFAOYSA-N	-2	2	387.369	2.743	20	0		GFADLL
O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1	ZINC000779824553	656945905	/nfs/dbraw/zinc/94/59/05/656945905.db2.gz	CUFKXPTZRUQULH-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
COc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1	ZINC000190311108	655391048	/nfs/dbraw/zinc/39/10/48/655391048.db2.gz	GARCNXBSDZWMAE-UHFFFAOYSA-N	-2	2	381.216	2.545	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)sc1Cl	ZINC000518156234	564546705	/nfs/dbraw/zinc/54/67/05/564546705.db2.gz	UELWDEOBFOBVMX-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000762616417	601881000	/nfs/dbraw/zinc/88/10/00/601881000.db2.gz	CIVAKWNZFSMART-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1	ZINC000512768167	564410765	/nfs/dbraw/zinc/41/07/65/564410765.db2.gz	WXWUZHPLVKAGEK-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000830138417	603404155	/nfs/dbraw/zinc/40/41/55/603404155.db2.gz	UDVKDMMWZQYTIH-VIFPVBQESA-N	-2	2	384.435	2.884	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000270392290	655043116	/nfs/dbraw/zinc/04/31/16/655043116.db2.gz	CFZMCSXBJIAECF-UHFFFAOYSA-N	-2	2	383.447	2.963	20	0		GFADLL
O=C([O-])c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1	ZINC000833343704	602116315	/nfs/dbraw/zinc/11/63/15/602116315.db2.gz	MPNDRDVBNGWEOY-UHFFFAOYSA-N	-2	2	381.431	2.824	20	0		GFADLL
C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000825449211	603526382	/nfs/dbraw/zinc/52/63/82/603526382.db2.gz	LTCXWKJMIOOQGX-VIFPVBQESA-N	-2	2	382.369	2.653	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000543663269	564358122	/nfs/dbraw/zinc/35/81/22/564358122.db2.gz	JVEZPSOTRATMTP-SNVBAGLBSA-N	-2	2	383.447	2.819	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)sc1C(=O)[O-]	ZINC000738477077	600638009	/nfs/dbraw/zinc/63/80/09/600638009.db2.gz	INNFDYKAWKYXGW-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])sc1C(=O)[O-]	ZINC000740093549	602245659	/nfs/dbraw/zinc/24/56/59/602245659.db2.gz	LNXVTZHZGVJECN-UHFFFAOYSA-N	-2	2	382.419	2.596	20	0		GFADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000475739798	564317141	/nfs/dbraw/zinc/31/71/41/564317141.db2.gz	XCAGLGCGPKIZIR-UHFFFAOYSA-N	-2	2	385.781	2.551	20	0		GFADLL
O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(Br)ccc1F	ZINC000486870132	564668893	/nfs/dbraw/zinc/66/88/93/564668893.db2.gz	SMANHINWMHGJAN-UHFFFAOYSA-N	-2	2	398.217	2.569	20	0		GFADLL
C[C@@H](Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-]	ZINC000507617040	564234126	/nfs/dbraw/zinc/23/41/26/564234126.db2.gz	NGXHEKBBORWQJJ-MRVPVSSYSA-N	-2	2	387.460	2.812	20	0		GFADLL
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc12	ZINC000740089912	600236903	/nfs/dbraw/zinc/23/69/03/600236903.db2.gz	NLYJTPHAYFINMY-UHFFFAOYSA-N	-2	2	396.327	2.643	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1F	ZINC000832868151	601224413	/nfs/dbraw/zinc/22/44/13/601224413.db2.gz	GQRJFQDSKJNQCQ-UHFFFAOYSA-N	-2	2	382.369	2.747	20	0		GFADLL
C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000825449209	603526455	/nfs/dbraw/zinc/52/64/55/603526455.db2.gz	LTCXWKJMIOOQGX-SECBINFHSA-N	-2	2	382.369	2.653	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])sc1C(=O)[O-]	ZINC000068321254	551191274	/nfs/dbraw/zinc/19/12/74/551191274.db2.gz	VHKBJVZINZOFEE-UHFFFAOYSA-N	-2	2	377.346	2.532	20	0		GFADLL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1SC	ZINC000013278896	601319775	/nfs/dbraw/zinc/31/97/75/601319775.db2.gz	MMLFZSOSMWSTRP-UHFFFAOYSA-N	-2	2	397.430	2.614	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])sc1C(=O)[O-]	ZINC000509659370	564308232	/nfs/dbraw/zinc/30/82/32/564308232.db2.gz	RUZFMJJDANQRDL-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1ccc(O)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)n1	ZINC000512658457	564407888	/nfs/dbraw/zinc/40/78/88/564407888.db2.gz	UAAWBJMBKXBGFP-UHFFFAOYSA-N	-2	2	376.463	2.965	20	0		GFADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1	ZINC000833323362	604400075	/nfs/dbraw/zinc/40/00/75/604400075.db2.gz	HLKGEXRDDRDITI-UHFFFAOYSA-N	-2	2	395.336	2.964	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)sc1C(=O)[O-]	ZINC000067874396	600481771	/nfs/dbraw/zinc/48/17/71/600481771.db2.gz	QIQAVBILRYTBIA-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000438787986	563710147	/nfs/dbraw/zinc/71/01/47/563710147.db2.gz	XLIGRVLPGXOKJD-UHFFFAOYSA-N	-2	2	385.394	2.745	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)sc1C(=O)[O-]	ZINC000042796563	654645136	/nfs/dbraw/zinc/64/51/36/654645136.db2.gz	DVFZMVMLJNVSAA-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000543663266	564358079	/nfs/dbraw/zinc/35/80/79/564358079.db2.gz	JVEZPSOTRATMTP-JTQLQIEISA-N	-2	2	383.447	2.819	20	0		GFADLL
CC[C@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-]	ZINC000463775324	564889671	/nfs/dbraw/zinc/88/96/71/564889671.db2.gz	BHKUZDIXDWLXSL-LLVKDONJSA-N	-2	2	383.447	2.900	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1F	ZINC000749142405	655800970	/nfs/dbraw/zinc/80/09/70/655800970.db2.gz	KHMHVHMBJGCBRL-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000484557612	564591229	/nfs/dbraw/zinc/59/12/29/564591229.db2.gz	MGVBKHCZJXKVIZ-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cnc1Cl	ZINC000826271313	609530702	/nfs/dbraw/zinc/53/07/02/609530702.db2.gz	MSGUIUDZZSLGCD-UHFFFAOYSA-N	-2	2	385.236	2.678	20	0		GFADLL
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000798166074	659077899	/nfs/dbraw/zinc/07/78/99/659077899.db2.gz	OYJHBVJQCHWZBZ-UHFFFAOYSA-N	-2	2	385.394	2.745	20	0		GFADLL
O=S(=O)(NCCNc1nc(C2CC2)ns1)c1cccc(Cl)c1Cl	ZINC000553265197	564714412	/nfs/dbraw/zinc/71/44/12/564714412.db2.gz	ASQSMWDRDDESTH-UHFFFAOYSA-N	-2	2	393.321	2.535	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1F	ZINC000832868272	601224504	/nfs/dbraw/zinc/22/45/04/601224504.db2.gz	KZICTZBMFVLVER-UHFFFAOYSA-N	-2	2	396.396	2.743	20	0		GFADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833652677	605420479	/nfs/dbraw/zinc/42/04/79/605420479.db2.gz	XOMIQBWQXUNJQF-UHFFFAOYSA-N	-2	2	397.405	2.828	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1F	ZINC000832868503	601224399	/nfs/dbraw/zinc/22/43/99/601224399.db2.gz	XDEJXTRWMSLCIB-UHFFFAOYSA-N	-2	2	381.381	2.650	20	0		GFADLL
CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C(=O)[O-])c1	ZINC000827124837	601249760	/nfs/dbraw/zinc/24/97/60/601249760.db2.gz	RWMCMSKMCYAREW-UHFFFAOYSA-N	-2	2	379.390	2.713	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])sc1C(=O)[O-]	ZINC000740094117	602646431	/nfs/dbraw/zinc/64/64/31/602646431.db2.gz	QFPPDMPJZPGKED-UHFFFAOYSA-N	-2	2	396.446	2.986	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)sc1C(=O)[O-]	ZINC000583769672	564907058	/nfs/dbraw/zinc/90/70/58/564907058.db2.gz	PXKNJCFYRSNTDG-UHFFFAOYSA-N	-2	2	380.403	2.735	20	0		GFADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000833741560	605124893	/nfs/dbraw/zinc/12/48/93/605124893.db2.gz	RXCULYGFXXFRLE-UHFFFAOYSA-N	-2	2	377.346	2.532	20	0		GFADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000443363075	604502568	/nfs/dbraw/zinc/50/25/68/604502568.db2.gz	UQWCADAYBPVVCF-UHFFFAOYSA-N	-2	2	383.378	2.574	20	0		GFADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1	ZINC000756938303	655907320	/nfs/dbraw/zinc/90/73/20/655907320.db2.gz	GRWXKZHIPTXFLM-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000737946237	601117760	/nfs/dbraw/zinc/11/77/60/601117760.db2.gz	BTYYHBFQLOVAAT-UHFFFAOYSA-N	-2	2	385.781	2.546	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1Cl	ZINC000753774898	655858367	/nfs/dbraw/zinc/85/83/67/655858367.db2.gz	IYQHNXCIINOXJG-UHFFFAOYSA-N	-2	2	385.781	2.551	20	0		GFADLL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1	ZINC000544641847	564392021	/nfs/dbraw/zinc/39/20/21/564392021.db2.gz	PZGLDDJBHWKHDZ-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
CC[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-]	ZINC000463775331	564889696	/nfs/dbraw/zinc/88/96/96/564889696.db2.gz	BHKUZDIXDWLXSL-NSHDSACASA-N	-2	2	383.447	2.900	20	0		GFADLL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1C(=O)[O-]	ZINC000567158051	564360222	/nfs/dbraw/zinc/36/02/22/564360222.db2.gz	CHNUOMODGISNGT-UHFFFAOYSA-N	-2	2	395.336	2.964	20	0		GFADLL
CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1	ZINC000486119240	564640127	/nfs/dbraw/zinc/64/01/27/564640127.db2.gz	UIKBZQLJQCCDDR-UHFFFAOYSA-N	-2	2	384.435	2.601	20	0		GFADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000829528191	601575652	/nfs/dbraw/zinc/57/56/52/601575652.db2.gz	RJYIJTHPXYGZCM-UHFFFAOYSA-N	-2	2	385.419	2.734	20	0		GFADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000392923722	677410236	/nfs/dbraw/zinc/41/02/36/677410236.db2.gz	GRVCZLGFUQMHNU-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000832933593	601881751	/nfs/dbraw/zinc/88/17/51/601881751.db2.gz	APBANVAZVXSAJY-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
Cc1nnc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)[nH]1	ZINC000502690025	565003452	/nfs/dbraw/zinc/00/34/52/565003452.db2.gz	PRKVXDXDENYOQR-UHFFFAOYSA-N	-2	2	377.451	2.536	20	0		GFADLL
Cc1cc(Cl)cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)c1O	ZINC000436787412	563679688	/nfs/dbraw/zinc/67/96/88/563679688.db2.gz	NZLSUFPBJBSPDI-UHFFFAOYSA-N	-2	2	384.841	2.562	20	0		GFADLL
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000738336123	600758457	/nfs/dbraw/zinc/75/84/57/600758457.db2.gz	YTYSKJIIMOZXDI-UHFFFAOYSA-N	-2	2	382.376	2.818	20	0		GFADLL
O=C([O-])c1nscc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000833306153	602201853	/nfs/dbraw/zinc/20/18/53/602201853.db2.gz	HVPDWWJGTIGMRY-UHFFFAOYSA-N	-2	2	397.217	2.647	20	0		GFADLL
O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1	ZINC000740715178	602646700	/nfs/dbraw/zinc/64/67/00/602646700.db2.gz	ATUHZRWSIXYLIO-UHFFFAOYSA-N	-2	2	382.419	2.678	20	0		GFADLL
O=C([O-])c1csc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1	ZINC000833343455	604633865	/nfs/dbraw/zinc/63/38/65/604633865.db2.gz	FZLDFDQDMOBJNI-UHFFFAOYSA-N	-2	2	379.774	2.738	20	0		GFADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C	ZINC000833751318	605128374	/nfs/dbraw/zinc/12/83/74/605128374.db2.gz	UAQQXSUATXRPGR-UHFFFAOYSA-N	-2	2	399.446	2.636	20	0		GFADLL
Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1C(=O)[O-]	ZINC000833744834	605265604	/nfs/dbraw/zinc/26/56/04/605265604.db2.gz	RIAZAGPUVHUXTO-UHFFFAOYSA-N	-2	2	386.332	2.862	20	0		GFADLL
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000489752269	564751809	/nfs/dbraw/zinc/75/18/09/564751809.db2.gz	JRSBWIMBUXNVQX-UHFFFAOYSA-N	-2	2	385.781	2.546	20	0		GFADLL
COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c(Cl)cc1C(=O)[O-]	ZINC000832098096	602117914	/nfs/dbraw/zinc/11/79/14/602117914.db2.gz	SVQFIPMKNNNGOS-UHFFFAOYSA-N	-2	2	391.810	2.607	20	0		GFADLL
COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000505123462	565049394	/nfs/dbraw/zinc/04/93/94/565049394.db2.gz	HRFQMYXRQYQQND-UHFFFAOYSA-N	-2	2	391.810	2.607	20	0		GFADLL
Cc1oc(C)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C(=O)[O-]	ZINC000738970249	600237016	/nfs/dbraw/zinc/23/70/16/600237016.db2.gz	SWURJIJIPGOTDH-UHFFFAOYSA-N	-2	2	378.362	2.575	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000738477070	600487970	/nfs/dbraw/zinc/48/79/70/600487970.db2.gz	HFHBVXSOABYIBO-UHFFFAOYSA-N	-2	2	399.446	2.799	20	0		GFADLL
O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000833320851	600867981	/nfs/dbraw/zinc/86/79/81/600867981.db2.gz	SKTLEGJQPJGIND-UHFFFAOYSA-N	-2	2	393.398	2.804	20	0		GFADLL
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1	ZINC000756935695	604632918	/nfs/dbraw/zinc/63/29/18/604632918.db2.gz	HTFTZMKDQXOFFY-UHFFFAOYSA-N	-2	2	399.371	2.826	20	0		GFADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000756935472	655907110	/nfs/dbraw/zinc/90/71/10/655907110.db2.gz	CYSQOMIGMRKTNJ-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000443378825	563803403	/nfs/dbraw/zinc/80/34/03/563803403.db2.gz	WJOVKEHWCPTADG-UHFFFAOYSA-N	-2	2	385.419	2.734	20	0		GFADLL
C[C@H](Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-]	ZINC000507617041	564234131	/nfs/dbraw/zinc/23/41/31/564234131.db2.gz	NGXHEKBBORWQJJ-QMMMGPOBSA-N	-2	2	387.460	2.812	20	0		GFADLL
COc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000832098141	601224451	/nfs/dbraw/zinc/22/44/51/601224451.db2.gz	VITRCTSYIRBSIW-UHFFFAOYSA-N	-2	2	391.810	2.607	20	0		GFADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000833741280	605126549	/nfs/dbraw/zinc/12/65/49/605126549.db2.gz	FXFVMAHQXDONCS-UHFFFAOYSA-N	-2	2	375.811	2.907	20	0		GFADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000443363694	563802713	/nfs/dbraw/zinc/80/27/13/563802713.db2.gz	XJFHMQQKURIIRR-UHFFFAOYSA-N	-2	2	385.419	2.734	20	0		GFADLL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000512740110	564409566	/nfs/dbraw/zinc/40/95/66/564409566.db2.gz	YLZSGKBBJKNUOS-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
CC(C)Oc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1C(=O)[O-]	ZINC000410395702	563589236	/nfs/dbraw/zinc/58/92/36/563589236.db2.gz	DHCAPTKDOOQTOS-UHFFFAOYSA-N	-2	2	385.419	2.733	20	0		GFADLL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1C(=O)[O-]	ZINC000731901568	655588996	/nfs/dbraw/zinc/58/89/96/655588996.db2.gz	AZNIZESJYDHQDY-UHFFFAOYSA-N	-2	2	391.188	2.586	20	0		GFADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1Cl	ZINC000788753862	657782944	/nfs/dbraw/zinc/78/29/44/657782944.db2.gz	ORTMINVUQXDSQN-UHFFFAOYSA-N	-2	2	385.781	2.551	20	0		GFADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(F)cc1F	ZINC000740089927	600395335	/nfs/dbraw/zinc/39/53/35/600395335.db2.gz	OASUOOSCZOZTEX-UHFFFAOYSA-N	-2	2	391.735	2.815	20	0		GFADLL
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc12	ZINC000740143813	600237045	/nfs/dbraw/zinc/23/70/45/600237045.db2.gz	KLNUTWXGDFZNDL-UHFFFAOYSA-N	-2	2	378.337	2.504	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000738477047	600301707	/nfs/dbraw/zinc/30/17/07/600301707.db2.gz	BTHAYVMLNPDQKX-UHFFFAOYSA-N	-2	2	384.435	2.665	20	0		GFADLL
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)ccc1OCCCC(=O)[O-]	ZINC000832903678	602117761	/nfs/dbraw/zinc/11/77/61/602117761.db2.gz	NDRIXUQQELSODI-UHFFFAOYSA-N	-2	2	399.446	2.799	20	0		GFADLL
CC(C)c1scnc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000288327494	563638221	/nfs/dbraw/zinc/63/82/21/563638221.db2.gz	VFEOUUPERXSALO-UHFFFAOYSA-N	-2	2	393.487	2.578	20	0		GFADLL
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000443366631	563803307	/nfs/dbraw/zinc/80/33/07/563803307.db2.gz	ALFDPJCPZSQSIU-UHFFFAOYSA-N	-2	2	385.419	2.733	20	0		GFADLL
CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1	ZINC000833685227	604634384	/nfs/dbraw/zinc/63/43/84/604634384.db2.gz	IGGDJVMUSGTESI-UHFFFAOYSA-N	-2	2	386.332	2.578	20	0		GFADLL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000512757338	564410463	/nfs/dbraw/zinc/41/04/63/564410463.db2.gz	IQQZZNNNFBVMJG-UHFFFAOYSA-N	-2	2	387.772	2.985	20	0		GFADLL
O=C([O-])c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000833784599	604505445	/nfs/dbraw/zinc/50/54/45/604505445.db2.gz	DOOOZCUAFMPSHI-UHFFFAOYSA-N	-2	2	395.336	2.964	20	0		GFADLL
O=C([O-])CSCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000833264002	600815628	/nfs/dbraw/zinc/81/56/28/600815628.db2.gz	VRTIPIZPFUMZQL-UHFFFAOYSA-N	-2	2	399.421	2.643	20	0		GFADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000833741415	605126657	/nfs/dbraw/zinc/12/66/57/605126657.db2.gz	LVRZZJPHXSJORY-UHFFFAOYSA-N	-2	2	381.431	2.742	20	0		GFADLL