smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)[O-])C2)nc3=O)cc1	ZINC000049421367	493873253	/nfs/dbraw/zinc/87/32/53/493873253.db2.gz	LNIDDYOTENEZNS-CYBMUJFWSA-N	-2	1	369.446	3.261	50	0		FGAAML
Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)[O-])C2)nc3=O)cc1	ZINC000049421366	493873708	/nfs/dbraw/zinc/87/37/08/493873708.db2.gz	LNIDDYOTENEZNS-ZDUSSCGKSA-N	-2	1	369.446	3.261	50	0		FGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1Cl	ZINC000032610499	494000154	/nfs/dbraw/zinc/00/01/54/494000154.db2.gz	BDRBXKBJGCGXRT-UHFFFAOYSA-N	-2	1	351.811	3.328	50	0		FGAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000033253842	494054650	/nfs/dbraw/zinc/05/46/50/494054650.db2.gz	LAEPBXGXIPHOAH-UHFFFAOYSA-N	-2	1	362.451	3.422	50	0		FGAAML
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2Br)c1	ZINC000012584944	494243966	/nfs/dbraw/zinc/24/39/66/494243966.db2.gz	FZAFHJMUHVKWSN-UHFFFAOYSA-N	-2	1	362.226	3.010	50	0		FGAAML
Cc1ccc([O-])c(C(=O)c2cnn(-c3cc(C(=O)[O-])ccc3Cl)c2)c1	ZINC000028000843	493772067	/nfs/dbraw/zinc/77/20/67/493772067.db2.gz	SEHMVRYLELUESU-UHFFFAOYSA-N	-2	1	356.765	3.469	50	0		FGAAML
CCCCOP(=O)([O-])CP(=O)([O-])C[P@@](=O)([O-])OCCCC	ZINC000004833922	204168364	/nfs/dbraw/zinc/16/83/64/204168364.db2.gz	PZCGBFMMXTXCEG-UHFFFAOYSA-N	-3	1	366.224	3.176	50	0		FGAAML
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000047318049	206079922	/nfs/dbraw/zinc/07/99/22/206079922.db2.gz	ZACJJRXHKSJQEO-UHFFFAOYSA-N	-2	1	353.783	3.042	50	0		FGAAML
CCOc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc(Cl)c1[O-]	ZINC000263401520	713744954	/nfs/dbraw/zinc/74/49/54/713744954.db2.gz	GRIBKHKUHBRDQU-NSHDSACASA-N	-2	1	355.818	3.161	50	0		FGAAML
Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1OCC(=O)[O-]	ZINC000058377102	493848177	/nfs/dbraw/zinc/84/81/77/493848177.db2.gz	COGAOLHRAWQPNU-UHFFFAOYSA-N	-2	1	371.414	3.412	50	0		FGAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Br	ZINC000006316019	206242430	/nfs/dbraw/zinc/24/24/30/206242430.db2.gz	KTJHBYDTIQFEDR-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000007052682	206243155	/nfs/dbraw/zinc/24/31/55/206243155.db2.gz	NATKWIWFACRPNZ-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)ccc2o1	ZINC000034798113	494068932	/nfs/dbraw/zinc/06/89/32/494068932.db2.gz	LFEOWCBYEJFADL-UHFFFAOYSA-N	-2	1	360.391	3.252	50	0		FGAAML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000096747878	700459673	/nfs/dbraw/zinc/45/96/73/700459673.db2.gz	FRGIAZXDBWDSQC-RAXLEYEMSA-N	-2	1	357.431	3.464	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1F	ZINC000036398779	205016126	/nfs/dbraw/zinc/01/61/26/205016126.db2.gz	PXXAMFCNVBFKKK-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
Cc1nnc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[O-])[nH]1	ZINC000006129839	204238176	/nfs/dbraw/zinc/23/81/76/204238176.db2.gz	NFPAYMHTJZCVDP-RIYZIHGNSA-N	-2	1	371.374	3.289	50	0		FGAAML
Cc1nc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[O-])n[nH]1	ZINC000006129839	204238179	/nfs/dbraw/zinc/23/81/79/204238179.db2.gz	NFPAYMHTJZCVDP-RIYZIHGNSA-N	-2	1	371.374	3.289	50	0		FGAAML
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000007417248	206245016	/nfs/dbraw/zinc/24/50/16/206245016.db2.gz	IETVHSHSLVXMQK-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000037742536	494108534	/nfs/dbraw/zinc/10/85/34/494108534.db2.gz	XQKMPJOHNVXFHM-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ncccc32)ccc1Cl	ZINC000058366826	493846980	/nfs/dbraw/zinc/84/69/80/493846980.db2.gz	FZTLMVBTEDYDEK-UHFFFAOYSA-N	-2	1	362.794	3.387	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1	ZINC000072312985	494151925	/nfs/dbraw/zinc/15/19/25/494151925.db2.gz	IBFMJGOEOQUKOF-UHFFFAOYSA-N	-2	1	361.419	3.152	50	0		FGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1	ZINC000013341031	132306772	/nfs/dbraw/zinc/30/67/72/132306772.db2.gz	HEFKOWNCRWPVHD-UHFFFAOYSA-N	-2	1	360.435	3.176	50	0		FGAAML
O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1[O-]	ZINC000004753573	207046856	/nfs/dbraw/zinc/04/68/56/207046856.db2.gz	LJMLRIYZAXHWTD-UHFFFAOYSA-N	-2	1	356.403	3.323	50	0		FGAAML
O=C([O-])c1[nH]c2ccccc2c1CCn1c(=S)[n-]nc1-c1ccncc1	ZINC000006062550	207128465	/nfs/dbraw/zinc/12/84/65/207128465.db2.gz	MLPFUIKXQGLNCX-UHFFFAOYSA-N	-2	1	365.418	3.425	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c2ccccc12	ZINC000011635118	207316963	/nfs/dbraw/zinc/31/69/63/207316963.db2.gz	QNZKVZZRWYYUFO-UHFFFAOYSA-N	-2	1	357.387	3.353	50	0		FGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)CCC2	ZINC000058365496	493847048	/nfs/dbraw/zinc/84/70/48/493847048.db2.gz	OQTKZODIHQDWNM-UHFFFAOYSA-N	-2	1	351.811	3.328	50	0		FGAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1	ZINC000005134619	493915276	/nfs/dbraw/zinc/91/52/76/493915276.db2.gz	HLLAYHGOHRYRRH-UHFFFAOYSA-N	-2	1	357.790	3.297	50	0		FGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1	ZINC000002635861	493813163	/nfs/dbraw/zinc/81/31/63/493813163.db2.gz	LTPRULXNJZKLJL-UHFFFAOYSA-N	-2	1	361.297	3.084	50	0		FGAAML
Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000076081947	493818261	/nfs/dbraw/zinc/81/82/61/493818261.db2.gz	BYAJCZAUJGJPAK-UHFFFAOYSA-N	-2	1	351.399	3.297	50	0		FGAAML
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F	ZINC000055678476	494387746	/nfs/dbraw/zinc/38/77/46/494387746.db2.gz	BBPYFTFOGKTAAZ-UHFFFAOYSA-N	-2	1	353.371	3.032	50	0		FGAAML
CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cn1	ZINC000241139488	497352644	/nfs/dbraw/zinc/35/26/44/497352644.db2.gz	JRJBOARYISSVCL-UHFFFAOYSA-N	-2	1	363.361	3.064	50	0		FGAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000076019144	208193472	/nfs/dbraw/zinc/19/34/72/208193472.db2.gz	CNUYDWQSFCDLAE-UHFFFAOYSA-N	-2	1	351.399	3.297	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000028196103	493779068	/nfs/dbraw/zinc/77/90/68/493779068.db2.gz	NGUTYFYKCYOGJR-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000006623476	493970954	/nfs/dbraw/zinc/97/09/54/493970954.db2.gz	JPLIBDDBDQTTIM-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1	ZINC000007708148	494037598	/nfs/dbraw/zinc/03/75/98/494037598.db2.gz	LRYVJAWVDILLBS-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1	ZINC000048343304	209330127	/nfs/dbraw/zinc/33/01/27/209330127.db2.gz	IMKJMNUTWJIQTF-UHFFFAOYSA-N	-2	1	367.398	3.360	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12	ZINC000008714933	207244101	/nfs/dbraw/zinc/24/41/01/207244101.db2.gz	QEINEUOYXSUHPK-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c1)CCC2	ZINC000058381851	493848051	/nfs/dbraw/zinc/84/80/51/493848051.db2.gz	RTQBJUHFGXJOIN-UHFFFAOYSA-N	-2	1	369.801	3.467	50	0		FGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1	ZINC000005234353	493920201	/nfs/dbraw/zinc/92/02/01/493920201.db2.gz	RKJOKHBAERNEHN-UHFFFAOYSA-N	-2	1	353.399	3.437	50	0		FGAAML
C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2)C1	ZINC000032971127	494033466	/nfs/dbraw/zinc/03/34/66/494033466.db2.gz	GIYRGOPTOVBIFH-CQSZACIVSA-N	-2	1	374.462	3.422	50	0		FGAAML
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl	ZINC000096747902	495014602	/nfs/dbraw/zinc/01/46/02/495014602.db2.gz	NKXNVXSICXEUIJ-WTKPLQERSA-N	-2	1	367.810	3.247	50	0		FGAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1	ZINC000021516582	494498708	/nfs/dbraw/zinc/49/87/08/494498708.db2.gz	ODMDNCTZHKYHDX-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1F	ZINC000005234957	493920076	/nfs/dbraw/zinc/92/00/76/493920076.db2.gz	AXQXDZDRZRGBKO-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
CCOc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc(Cl)c1[O-]	ZINC000263401519	713745060	/nfs/dbraw/zinc/74/50/60/713745060.db2.gz	GRIBKHKUHBRDQU-LLVKDONJSA-N	-2	1	355.818	3.161	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)[O-]	ZINC000004884953	493898433	/nfs/dbraw/zinc/89/84/33/493898433.db2.gz	RLVQKHQQUJHCQK-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000013196699	494281808	/nfs/dbraw/zinc/28/18/08/494281808.db2.gz	FNDPYGJWNIGZIE-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1nc(Nc2ccc(O)c(C(=O)[O-])c2)[n-]c(=O)c1Cc1ccccc1	ZINC000025497838	494749433	/nfs/dbraw/zinc/74/94/33/494749433.db2.gz	UCIYUSVKNHXWKR-UHFFFAOYSA-N	-2	1	351.362	3.229	50	0		FGAAML
COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(C)[n-][nH]c1=O	ZINC000095478239	494979657	/nfs/dbraw/zinc/97/96/57/494979657.db2.gz	BYRAKDWEWIHNMF-ZDUSSCGKSA-N	-2	1	370.361	3.077	50	0		FGAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1F	ZINC000095974176	494993106	/nfs/dbraw/zinc/99/31/06/494993106.db2.gz	GCWHZZYFVACCJA-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)s1	ZINC000038058393	494111521	/nfs/dbraw/zinc/11/15/21/494111521.db2.gz	MOJSNHUALGJDHP-UHFFFAOYSA-N	-2	1	362.226	3.010	50	0		FGAAML
COc1ccc(Cc2n[n-]c(=S)n2Cc2cccc(C(=O)[O-])c2)cc1	ZINC000013735809	211055674	/nfs/dbraw/zinc/05/56/74/211055674.db2.gz	JWXDEMKYAXNXED-UHFFFAOYSA-N	-2	1	355.419	3.287	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1F	ZINC000003018284	493828735	/nfs/dbraw/zinc/82/87/35/493828735.db2.gz	ABNXSWIGCAMFKY-UHFFFAOYSA-N	-2	1	363.288	3.344	50	0		FGAAML
O=C([O-])COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000015018468	211114695	/nfs/dbraw/zinc/11/46/95/211114695.db2.gz	DLFDYILIIUKQQR-WTKPLQERSA-N	-2	1	374.237	3.242	50	0		FGAAML
Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)[O-])C1)nc2=O	ZINC000049421368	493874016	/nfs/dbraw/zinc/87/40/16/493874016.db2.gz	QMNPCZDMKLNCII-LBPRGKRZSA-N	-2	1	369.446	3.261	50	0		FGAAML
COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2c1	ZINC000041091961	494148252	/nfs/dbraw/zinc/14/82/52/494148252.db2.gz	XNBYFWHYCNJMLW-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
CN(C)c1ccc(Nc2c(C(=O)[O-])cnc3ccc(C(=O)[O-])cc32)cc1	ZINC000005510837	493933492	/nfs/dbraw/zinc/93/34/92/493933492.db2.gz	CAYKBUYKSMTNTB-UHFFFAOYSA-N	-2	1	351.362	3.441	50	0		FGAAML
Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2s1	ZINC000007708772	494037330	/nfs/dbraw/zinc/03/73/30/494037330.db2.gz	YJINNIMEUVHPJI-UHFFFAOYSA-N	-2	1	362.432	3.412	50	0		FGAAML
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1	ZINC000079106636	494404720	/nfs/dbraw/zinc/40/47/20/494404720.db2.gz	NKCNPDVYCGGSEX-JTQLQIEISA-N	-2	1	351.428	3.121	50	0		FGAAML
COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(Cl)c(C(=O)[O-])c3)c2)c1	ZINC000015232308	220150711	/nfs/dbraw/zinc/15/07/11/220150711.db2.gz	XZSRNYVFGOLVFY-UHFFFAOYSA-N	-2	1	372.764	3.169	50	0		FGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)[O-])c1	ZINC000000947873	219345246	/nfs/dbraw/zinc/34/52/46/219345246.db2.gz	FZJWGJWIYVESOH-UHFFFAOYSA-N	-3	1	371.370	3.037	50	0		FGAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000013078584	220057552	/nfs/dbraw/zinc/05/75/52/220057552.db2.gz	TURJIZYJHWJFRG-UHFFFAOYSA-N	-2	1	359.447	3.383	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(C)c1	ZINC000055577591	221072043	/nfs/dbraw/zinc/07/20/43/221072043.db2.gz	KNJFZIGNRBPVHJ-UHFFFAOYSA-N	-2	1	367.448	3.225	50	0		FGAAML
CC(C)n1c(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])n[n-]c1=S	ZINC000066639258	221246468	/nfs/dbraw/zinc/24/64/68/221246468.db2.gz	VSBQKGCKPQZSKD-UHFFFAOYSA-N	-2	1	361.254	3.464	50	0		FGAAML
COc1ccc2[nH]c(C(=O)[O-])c([N-]S(=O)(=O)c3ccc(C)cc3C)c2c1	ZINC000002241443	493803156	/nfs/dbraw/zinc/80/31/56/493803156.db2.gz	KUUWYZFPAGBCKG-UHFFFAOYSA-N	-2	1	374.418	3.292	50	0		FGAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000013345872	220064541	/nfs/dbraw/zinc/06/45/41/220064541.db2.gz	FRGIAZXDBWDSQC-JLHYYAGUSA-N	-2	1	357.431	3.464	50	0		FGAAML
Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)[O-])CC2)nc3=O)c1	ZINC000096511569	132225704	/nfs/dbraw/zinc/22/57/04/132225704.db2.gz	FJYUQCBMCIXMAZ-UHFFFAOYSA-N	-2	1	369.446	3.261	50	0		FGAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Br	ZINC000006316002	493958565	/nfs/dbraw/zinc/95/85/65/493958565.db2.gz	JQKHWOKESOWMMW-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1ccc(Cc2c(C)nc(Nc3ccc(O)c(C(=O)[O-])c3)[n-]c2=O)cc1	ZINC000082237994	493980654	/nfs/dbraw/zinc/98/06/54/493980654.db2.gz	KDPBFQFUSDJEGX-UHFFFAOYSA-N	-2	1	365.389	3.125	50	0		FGAAML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000021500948	220357903	/nfs/dbraw/zinc/35/79/03/220357903.db2.gz	GVSYAAFRGWAUDB-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2)C1	ZINC000032971128	494033478	/nfs/dbraw/zinc/03/34/78/494033478.db2.gz	GIYRGOPTOVBIFH-AWEZNQCLSA-N	-2	1	374.462	3.422	50	0		FGAAML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000035306751	494074059	/nfs/dbraw/zinc/07/40/59/494074059.db2.gz	WZCHEXDTFNISMU-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000008715820	494101522	/nfs/dbraw/zinc/10/15/22/494101522.db2.gz	JZHNKEXLWCIYFC-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C(=O)[O-]	ZINC000078726072	494349241	/nfs/dbraw/zinc/34/92/41/494349241.db2.gz	NAMZRLQALIZYMC-UHFFFAOYSA-N	-2	1	373.434	3.425	50	0		FGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4[nH]ccc43)c1)CCC2	ZINC000065548170	221232753	/nfs/dbraw/zinc/23/27/53/221232753.db2.gz	VLVACBHNJITFBN-UHFFFAOYSA-N	-2	1	356.403	3.156	50	0		FGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C	ZINC000058190512	221104184	/nfs/dbraw/zinc/10/41/84/221104184.db2.gz	QQSHFHARXQSDDG-UHFFFAOYSA-N	-2	1	368.842	3.213	50	0		FGAAML
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21	ZINC000004817936	493894411	/nfs/dbraw/zinc/89/44/11/493894411.db2.gz	SUQHJIHQDWQYID-UHFFFAOYSA-N	-2	1	373.386	3.443	50	0		FGAAML
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000058406216	221117440	/nfs/dbraw/zinc/11/74/40/221117440.db2.gz	LGIWDNODURMFPD-UHFFFAOYSA-N	-2	1	363.288	3.344	50	0		FGAAML
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000004755880	601825096	/nfs/dbraw/zinc/82/50/96/601825096.db2.gz	BHDJGZJWLRSNSR-UHFFFAOYSA-N	-2	1	353.783	3.042	50	0		FGAAML
Cc1ccc([O-])c(C(=O)c2cc(-c3nc(=O)c4sccc4[n-]3)n(C)c2)c1	ZINC000009458388	204368553	/nfs/dbraw/zinc/36/85/53/204368553.db2.gz	NIQQDUNLNFDMNS-UHFFFAOYSA-N	-2	1	365.414	3.235	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000008714993	204340524	/nfs/dbraw/zinc/34/05/24/204340524.db2.gz	DBLKKJGQBJOZCJ-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
O=C([O-])C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1	ZINC000049421370	493873485	/nfs/dbraw/zinc/87/34/85/493873485.db2.gz	SCTYRAFYSKUGBQ-UHFFFAOYSA-N	-2	1	373.409	3.092	50	0		FGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1	ZINC000078726070	494349705	/nfs/dbraw/zinc/34/97/05/494349705.db2.gz	CBTUTVUFRRYDQR-UHFFFAOYSA-N	-2	1	373.434	3.425	50	0		FGAAML
COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(C)[n-][nH]c1=O	ZINC000095478240	494979668	/nfs/dbraw/zinc/97/96/68/494979668.db2.gz	BYRAKDWEWIHNMF-CYBMUJFWSA-N	-2	1	370.361	3.077	50	0		FGAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1O	ZINC000004001760	206236209	/nfs/dbraw/zinc/23/62/09/206236209.db2.gz	XPDMZHHAAUXENW-UHFFFAOYSA-N	-2	1	362.190	3.198	50	0		FGAAML
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005133994	206239601	/nfs/dbraw/zinc/23/96/01/206239601.db2.gz	IDJRMNCVLNJESC-UHFFFAOYSA-N	-2	1	353.827	3.466	50	0		FGAAML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005135000	206239650	/nfs/dbraw/zinc/23/96/50/206239650.db2.gz	JXBPWGBEFUFTIG-UHFFFAOYSA-N	-2	1	353.827	3.466	50	0		FGAAML
COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc2c1	ZINC000041091960	205088351	/nfs/dbraw/zinc/08/83/51/205088351.db2.gz	MIXFJCSZOQKLNA-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1Br	ZINC000004868722	493898107	/nfs/dbraw/zinc/89/81/07/493898107.db2.gz	HWQZAWWYICPHQF-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
CCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033254052	494054517	/nfs/dbraw/zinc/05/45/17/494054517.db2.gz	QFZKOXSHMVQAHJ-UHFFFAOYSA-N	-2	1	362.451	3.340	50	0		FGAAML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1	ZINC000096747860	206544126	/nfs/dbraw/zinc/54/41/26/206544126.db2.gz	BKTHQSLOWRKPGG-BAQGIRSFSA-N	-2	1	355.774	3.378	50	0		FGAAML
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1	ZINC000058418856	221118369	/nfs/dbraw/zinc/11/83/69/221118369.db2.gz	HJQYHSNZPCNKDG-UHFFFAOYSA-N	-2	1	363.460	3.396	50	0		FGAAML
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21	ZINC000000816419	493775323	/nfs/dbraw/zinc/77/53/23/493775323.db2.gz	SAMXJKBYIDVDPJ-UHFFFAOYSA-N	-2	1	373.386	3.443	50	0		FGAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1	ZINC000058356184	493846248	/nfs/dbraw/zinc/84/62/48/493846248.db2.gz	ZBLBVTSEQFVWTN-UHFFFAOYSA-N	-2	1	363.288	3.344	50	0		FGAAML
CC(=O)c1ccc([O-])c([C@@H](CC(=O)[O-])c2ccnc3ccccc32)c1O	ZINC000217601643	206364264	/nfs/dbraw/zinc/36/42/64/206364264.db2.gz	WQBBWLFFLBQBLE-HNNXBMFYSA-N	-2	1	351.358	3.455	50	0		FGAAML
CCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000001067406	219363288	/nfs/dbraw/zinc/36/32/88/219363288.db2.gz	MZPBQWLWTQDGGS-UHFFFAOYSA-N	-2	1	355.799	3.238	50	0		FGAAML
Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2)cccc1C(=O)[O-]	ZINC000004756881	207045963	/nfs/dbraw/zinc/04/59/63/207045963.db2.gz	MFWKRVBCSHNWKZ-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1	ZINC000008720275	207243759	/nfs/dbraw/zinc/24/37/59/207243759.db2.gz	LRCPAOHOFLGBLZ-UHFFFAOYSA-N	-2	1	361.297	3.084	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)ccc1F	ZINC000075572519	208196146	/nfs/dbraw/zinc/19/61/46/208196146.db2.gz	YMFBWSRKMJIKHZ-UHFFFAOYSA-N	-2	1	360.366	3.115	50	0		FGAAML
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])ccc2c1	ZINC000041091959	208280756	/nfs/dbraw/zinc/28/07/56/208280756.db2.gz	CZUZWKHOKCMRTH-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2s1	ZINC000013349334	494286378	/nfs/dbraw/zinc/28/63/78/494286378.db2.gz	XOOLAWABUWFMLE-UHFFFAOYSA-N	-2	1	362.432	3.412	50	0		FGAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000003349444	493840059	/nfs/dbraw/zinc/84/00/59/493840059.db2.gz	SQNFRPZHMDOZMJ-UHFFFAOYSA-N	-2	1	359.325	3.133	50	0		FGAAML
CCn1cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)cc2n1	ZINC000078720363	494348432	/nfs/dbraw/zinc/34/84/32/494348432.db2.gz	RVPOVKXMQPIPBL-UHFFFAOYSA-N	-2	1	373.434	3.172	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C(=O)[O-]	ZINC000028940241	493809798	/nfs/dbraw/zinc/80/97/98/493809798.db2.gz	CDAQRUKSKKJTOZ-UHFFFAOYSA-N	-2	1	374.462	3.484	50	0		FGAAML
CCc1c(C)[n-]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c1=O	ZINC000018106946	494424951	/nfs/dbraw/zinc/42/49/51/494424951.db2.gz	ZBDIRISBDAGLNM-UHFFFAOYSA-N	-2	1	374.418	3.488	50	0		FGAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000001009460	493781973	/nfs/dbraw/zinc/78/19/73/493781973.db2.gz	BPSWJTAPOSBVBU-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl	ZINC000013346028	494286489	/nfs/dbraw/zinc/28/64/89/494286489.db2.gz	NKXNVXSICXEUIJ-RUDMXATFSA-N	-2	1	367.810	3.247	50	0		FGAAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Br	ZINC000013262510	209578715	/nfs/dbraw/zinc/57/87/15/209578715.db2.gz	HIPZMOANRHFVFU-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1nnc(SC(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[O-])[nH]1	ZINC000006129841	207130089	/nfs/dbraw/zinc/13/00/89/207130089.db2.gz	ACNNUQGZIKHQNY-RIYZIHGNSA-N	-2	1	371.374	3.289	50	0		FGAAML
Cc1nc(SC(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000006129841	207130093	/nfs/dbraw/zinc/13/00/93/207130093.db2.gz	ACNNUQGZIKHQNY-RIYZIHGNSA-N	-2	1	371.374	3.289	50	0		FGAAML
COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(C)[n-][nH]c1=O	ZINC000095473393	209056468	/nfs/dbraw/zinc/05/64/68/209056468.db2.gz	DOMXZZKJRSCDLL-CYBMUJFWSA-N	-2	1	370.361	3.077	50	0		FGAAML
Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)[O-])C1)nc2=O	ZINC000049421369	493873319	/nfs/dbraw/zinc/87/33/19/493873319.db2.gz	QMNPCZDMKLNCII-GFCCVEGCSA-N	-2	1	369.446	3.261	50	0		FGAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1	ZINC000058358159	212005864	/nfs/dbraw/zinc/00/58/64/212005864.db2.gz	AHPRNYRPXCIEGK-UHFFFAOYSA-N	-2	1	363.288	3.344	50	0		FGAAML
COc1ccc2[nH]c(C(=O)[O-])c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2c1	ZINC000002227812	210385220	/nfs/dbraw/zinc/38/52/20/210385220.db2.gz	XATQEIWWLVOSSG-UHFFFAOYSA-N	-2	1	374.418	3.292	50	0		FGAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl	ZINC000008104953	494068591	/nfs/dbraw/zinc/06/85/91/494068591.db2.gz	QGCSIZIOSZDTGX-UHFFFAOYSA-N	-2	1	353.827	3.466	50	0		FGAAML
CCOc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)ccc1Cl	ZINC000001427066	210351589	/nfs/dbraw/zinc/35/15/89/210351589.db2.gz	IXJFZFNEJBIIEX-UHFFFAOYSA-N	-2	1	369.826	3.167	50	0		FGAAML
Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Br	ZINC000007056257	493998413	/nfs/dbraw/zinc/99/84/13/493998413.db2.gz	NOBQTVWOWIBUND-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000012532668	220003909	/nfs/dbraw/zinc/00/39/09/220003909.db2.gz	CHZOKUBPOXSNCS-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000045774100	570912086	/nfs/dbraw/zinc/91/20/86/570912086.db2.gz	FQNJUSHVCOSCMU-UHFFFAOYSA-N	-2	1	372.805	3.044	50	0		FGAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000047318043	494679234	/nfs/dbraw/zinc/67/92/34/494679234.db2.gz	PBUHAJPHCQIBHB-UHFFFAOYSA-N	-2	1	353.783	3.042	50	0		FGAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Br	ZINC000013345409	220064547	/nfs/dbraw/zinc/06/45/47/220064547.db2.gz	SEMJHSUDZXNHMT-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C(=O)[O-]	ZINC000040105262	494131984	/nfs/dbraw/zinc/13/19/84/494131984.db2.gz	MNTNLLVICXESGA-UHFFFAOYSA-N	-2	1	368.842	3.213	50	0		FGAAML
Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1C(N)=O	ZINC000328596034	210110728	/nfs/dbraw/zinc/11/07/28/210110728.db2.gz	ONPJTBDENAJACJ-UHFFFAOYSA-N	-2	1	374.340	3.404	50	0		FGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1F	ZINC000037396368	211163151	/nfs/dbraw/zinc/16/31/51/211163151.db2.gz	UODZGTCRPJAPAK-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000020301746	220320354	/nfs/dbraw/zinc/32/03/54/220320354.db2.gz	DIZGFVKZOAKWMS-UHFFFAOYSA-N	-2	1	374.187	3.087	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cc1	ZINC000013262984	220062546	/nfs/dbraw/zinc/06/25/46/220062546.db2.gz	UWBWIKYMONXBKF-UHFFFAOYSA-N	-2	1	357.387	3.347	50	0		FGAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])cc1	ZINC000013342861	220064793	/nfs/dbraw/zinc/06/47/93/220064793.db2.gz	IRSLSXOULRFZSM-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000028913655	493807061	/nfs/dbraw/zinc/80/70/61/493807061.db2.gz	ADWYXSHIZAQBQA-UHFFFAOYSA-N	-2	1	370.224	3.257	50	0		FGAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000042675157	494237230	/nfs/dbraw/zinc/23/72/30/494237230.db2.gz	NXKVUPNVPDSXAC-UHFFFAOYSA-N	-2	1	355.412	3.355	50	0		FGAAML
COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1Cl	ZINC000032596969	493999040	/nfs/dbraw/zinc/99/90/40/493999040.db2.gz	HXJVEWOOVVMTGP-UHFFFAOYSA-N	-2	1	355.799	3.156	50	0		FGAAML
COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(C)[n-][nH]c1=O	ZINC000095473392	494978584	/nfs/dbraw/zinc/97/85/84/494978584.db2.gz	DOMXZZKJRSCDLL-ZDUSSCGKSA-N	-2	1	370.361	3.077	50	0		FGAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000003327983	493839035	/nfs/dbraw/zinc/83/90/35/493839035.db2.gz	JAUAEDGJPQQDIJ-UHFFFAOYSA-N	-2	1	360.218	3.421	50	0		FGAAML
CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1	ZINC000058370444	221115629	/nfs/dbraw/zinc/11/56/29/221115629.db2.gz	NVABRGORRZRSOK-UHFFFAOYSA-N	-2	1	363.460	3.396	50	0		FGAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000002653526	493814572	/nfs/dbraw/zinc/81/45/72/493814572.db2.gz	JHDALBMVZPHSDO-UHFFFAOYSA-N	-2	1	360.218	3.421	50	0		FGAAML
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005134081	493915610	/nfs/dbraw/zinc/91/56/10/493915610.db2.gz	WKJDASHNLOIRTB-UHFFFAOYSA-N	-2	1	353.827	3.466	50	0		FGAAML
CCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Cl	ZINC000032601557	493999592	/nfs/dbraw/zinc/99/95/92/493999592.db2.gz	GGWSDABQHIKCMB-UHFFFAOYSA-N	-2	1	355.799	3.238	50	0		FGAAML
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc3ccccc31)OCO2	ZINC000095939623	494990643	/nfs/dbraw/zinc/99/06/43/494990643.db2.gz	CLXPHINGOWQBAF-UHFFFAOYSA-N	-2	1	371.370	3.068	50	0		FGAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1	ZINC000013345821	220064611	/nfs/dbraw/zinc/06/46/11/220064611.db2.gz	BKTHQSLOWRKPGG-FPYGCLRLSA-N	-2	1	355.774	3.378	50	0		FGAAML
CCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000008715822	494101084	/nfs/dbraw/zinc/10/10/84/494101084.db2.gz	IPTIDZMRTLDCSB-UHFFFAOYSA-N	-2	1	355.799	3.238	50	0		FGAAML
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1	ZINC000079106634	494404572	/nfs/dbraw/zinc/40/45/72/494404572.db2.gz	NKCNPDVYCGGSEX-SNVBAGLBSA-N	-2	1	351.428	3.121	50	0		FGAAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C(=O)[O-]	ZINC000075582453	494799106	/nfs/dbraw/zinc/79/91/06/494799106.db2.gz	BSPRIJLBCHDAAN-UHFFFAOYSA-N	-2	1	358.419	3.294	50	0		FGAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)CCC2	ZINC000058369594	221116222	/nfs/dbraw/zinc/11/62/22/221116222.db2.gz	VBKDTYVLGJOAQH-UHFFFAOYSA-N	-2	1	351.811	3.328	50	0		FGAAML
CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000058421583	221118146	/nfs/dbraw/zinc/11/81/46/221118146.db2.gz	DYIDUAVKJGBCKU-UHFFFAOYSA-N	-2	1	363.460	3.396	50	0		FGAAML
CC(=O)c1ccc([O-])c([C@H](CC(=O)[O-])c2ccnc3ccccc32)c1O	ZINC000217601731	496997949	/nfs/dbraw/zinc/99/79/49/496997949.db2.gz	WQBBWLFFLBQBLE-OAHLLOKOSA-N	-2	1	351.358	3.455	50	0		FGAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1F	ZINC000012770096	220027038	/nfs/dbraw/zinc/02/70/38/220027038.db2.gz	GYIQPGOTRHLIRJ-UHFFFAOYSA-N	-2	1	363.288	3.344	50	0		FGAAML
O=C([N-]n1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3)c1ccco1	ZINC000017074429	220203643	/nfs/dbraw/zinc/20/36/43/220203643.db2.gz	YDYDQIIEFIUOGI-UHFFFAOYSA-N	-2	1	361.448	3.366	50	0		FGAAML
Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)ccc2[nH]1	ZINC000058356908	221115840	/nfs/dbraw/zinc/11/58/40/221115840.db2.gz	JVTJVSXCAWTTCG-UHFFFAOYSA-N	-2	1	370.430	3.464	50	0		FGAAML
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000034867544	263397608	/nfs/dbraw/zinc/39/76/08/263397608.db2.gz	CYQBPZSTNGIVDY-UHFFFAOYSA-N	-2	1	353.783	3.042	50	0		FGAAML
O=S(=O)([N-]N=c1[n-]c2ccccc2nc1Cl)c1ccc(Cl)cc1	ZINC000039931829	494124063	/nfs/dbraw/zinc/12/40/63/494124063.db2.gz	QKTSQMBXYAUCBR-UHFFFAOYSA-N	-2	1	369.233	3.242	50	0		FGAAML