smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nn1	ZINC000000644320	557034296	/nfs/dbraw/zinc/03/42/96/557034296.db2.gz	FESCBBRKEAUIIM-UHFFFAOYSA-N	-2	1	420.472	2.087	50	0		HEAAML
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[O-])cc2)nn1	ZINC000004371743	558472579	/nfs/dbraw/zinc/47/25/79/558472579.db2.gz	CEKUKBDPLSQLJL-UHFFFAOYSA-N	-2	1	400.416	2.244	50	0		HEAAML
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ncccc2[O-])CC3)no1	ZINC000077341466	559001760	/nfs/dbraw/zinc/00/17/60/559001760.db2.gz	ZJPIURVIMBJHPO-UHFFFAOYSA-N	-2	1	414.443	2.083	50	0		HEAAML
COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(F)cc1F	ZINC000048274873	568435489	/nfs/dbraw/zinc/43/54/89/568435489.db2.gz	LLJOCPRXIRUKQQ-UHFFFAOYSA-N	-2	1	401.343	2.264	50	0		HEAAML
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000010657380	558900887	/nfs/dbraw/zinc/90/08/87/558900887.db2.gz	XEHQDISVAAAJKA-UHFFFAOYSA-N	-2	1	407.400	2.134	50	0		HEAAML
CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@H]1c1ccc(OC)c(OC)c1	ZINC000101495073	560796076	/nfs/dbraw/zinc/79/60/76/560796076.db2.gz	CXCVBOSZSBYFCI-LBPRGKRZSA-N	-2	1	418.475	2.253	50	0		HEAAML
CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000101495075	560796117	/nfs/dbraw/zinc/79/61/17/560796117.db2.gz	CXCVBOSZSBYFCI-GFCCVEGCSA-N	-2	1	418.475	2.253	50	0		HEAAML
O=CN1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036357489	569148965	/nfs/dbraw/zinc/14/89/65/569148965.db2.gz	DBNWNJUUXRFVCY-OAQYLSRUSA-N	-2	1	421.453	2.288	50	0		HEAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC000072301107	558751078	/nfs/dbraw/zinc/75/10/78/558751078.db2.gz	PQPINFVSPBXKLA-UHFFFAOYSA-N	-2	1	401.343	2.100	50	0		HEAAML
Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)N(CC(=O)[O-])C(=O)CO4)ccc2[nH]1	ZINC000031721839	568929756	/nfs/dbraw/zinc/92/97/56/568929756.db2.gz	HCHRPTCTVKKDCC-UHFFFAOYSA-N	-2	1	415.427	2.087	50	0		HEAAML
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036352554	569147438	/nfs/dbraw/zinc/14/74/38/569147438.db2.gz	XFRJSUWKTPUSQU-GOSISDBHSA-N	-2	1	417.462	2.404	50	0		HEAAML
O=CN1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365097	569152174	/nfs/dbraw/zinc/15/21/74/569152174.db2.gz	UZLSUEPIASZWJX-OAQYLSRUSA-N	-2	1	421.453	2.288	50	0		HEAAML
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000003342473	557478131	/nfs/dbraw/zinc/47/81/31/557478131.db2.gz	MRKCLHFFMFMRNU-UHFFFAOYSA-N	-2	1	413.249	2.064	50	0		HEAAML
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1OC	ZINC000006101773	569002589	/nfs/dbraw/zinc/00/25/89/569002589.db2.gz	ANRQHRNOYCDENV-ZZXKWVIFSA-N	-2	1	423.399	2.006	50	0		HEAAML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000035397704	569034981	/nfs/dbraw/zinc/03/49/81/569034981.db2.gz	AQHCVSKCFPJDKR-UHFFFAOYSA-N	-2	1	411.867	2.379	50	0		HEAAML
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1	ZINC000064461975	569063164	/nfs/dbraw/zinc/06/31/64/569063164.db2.gz	YMPZZWPTLPPTNB-UHFFFAOYSA-N	-2	1	419.503	2.336	50	0		HEAAML
O=C([O-])C=CC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C=CC(=O)[O-])cc3[nH]2)cc1	ZINC000002025114	569065008	/nfs/dbraw/zinc/06/50/08/569065008.db2.gz	MCKQGECYKBXUFV-FIFLTTCUSA-N	-2	1	420.381	2.389	50	0		HEAAML
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cc(=O)oc2cc([O-])ccc12	ZINC000002098175	569281046	/nfs/dbraw/zinc/28/10/46/569281046.db2.gz	FAHZZVDBRSXCPZ-SFHVURJKSA-N	-2	1	406.394	2.335	50	0	biogenic	HEAAML
CN1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])CC1	ZINC000064491167	569064400	/nfs/dbraw/zinc/06/44/00/569064400.db2.gz	VSANUZBTAHIAAK-UHFFFAOYSA-N	-2	1	411.430	2.216	50	0		HEAAML
Cc1cc([O-])c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1	ZINC000020412609	558360933	/nfs/dbraw/zinc/36/09/33/558360933.db2.gz	FSJULAQQWFCXPN-INIZCTEOSA-N	-2	1	411.410	2.176	50	0	biogenic	HEAAML
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1OC	ZINC000004567637	558731646	/nfs/dbraw/zinc/73/16/46/558731646.db2.gz	WIFPZDZJNRLTLB-BAQGIRSFSA-N	-2	1	407.400	2.301	50	0		HEAAML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(F)cc1	ZINC000000917288	557117791	/nfs/dbraw/zinc/11/77/91/557117791.db2.gz	SIHXBWYKQIJYKE-UHFFFAOYSA-N	-2	1	408.436	2.217	50	0		HEAAML
CN1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036355087	569148206	/nfs/dbraw/zinc/14/82/06/569148206.db2.gz	GIKDCQGHVYXPTD-KRWDZBQOSA-N	-2	1	424.295	2.252	50	0		HEAAML
Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1	ZINC000000898217	557113688	/nfs/dbraw/zinc/11/36/88/557113688.db2.gz	BFLNKNVVAWTHLS-UHFFFAOYSA-N	-2	1	404.473	2.387	50	0		HEAAML
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(NC(=O)c3ccc4c(c3)OCO4)c(=O)c12	ZINC000017083145	558815641	/nfs/dbraw/zinc/81/56/41/558815641.db2.gz	LXXRTOOKUIBZRR-UHFFFAOYSA-N	-2	1	405.413	2.240	50	0		HEAAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000033254066	558922383	/nfs/dbraw/zinc/92/23/83/558922383.db2.gz	XBLUBLOJVLJRBW-UHFFFAOYSA-N	-2	1	406.460	2.421	50	0		HEAAML
O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000015682357	568968717	/nfs/dbraw/zinc/96/87/17/568968717.db2.gz	UNAORABQKGXYFZ-UHFFFAOYSA-N	-2	1	405.379	2.458	50	0		HEAAML
CCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-]	ZINC000064461985	569063125	/nfs/dbraw/zinc/06/31/25/569063125.db2.gz	GXQARSRGNVRYBV-UHFFFAOYSA-N	-2	1	403.504	2.500	50	0		HEAAML
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036352552	569147430	/nfs/dbraw/zinc/14/74/30/569147430.db2.gz	XFRJSUWKTPUSQU-SFHVURJKSA-N	-2	1	417.462	2.404	50	0		HEAAML
CN1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036355089	569148373	/nfs/dbraw/zinc/14/83/73/569148373.db2.gz	GIKDCQGHVYXPTD-QGZVFWFLSA-N	-2	1	424.295	2.252	50	0		HEAAML
COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl	ZINC000069814645	571245575	/nfs/dbraw/zinc/24/55/75/571245575.db2.gz	XMFBUMPUKSIRKU-UHFFFAOYSA-N	-3	1	413.791	2.324	50	0		HEAAML
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000069814569	571245642	/nfs/dbraw/zinc/24/56/42/571245642.db2.gz	DHYACJMFDLIESG-UHFFFAOYSA-N	-3	1	407.400	2.449	50	0		HEAAML
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000048325671	568438671	/nfs/dbraw/zinc/43/86/71/568438671.db2.gz	LKDOMVDCMPTEGS-UHFFFAOYSA-N	-3	1	413.791	2.308	50	0		HEAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000035397644	569034931	/nfs/dbraw/zinc/03/49/31/569034931.db2.gz	XKWWEKOBJDBTRL-UHFFFAOYSA-N	-2	1	409.464	2.444	50	0		HEAAML
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2	ZINC000022990115	558529484	/nfs/dbraw/zinc/52/94/84/558529484.db2.gz	JWAKFNJGMWBJSQ-UHFFFAOYSA-N	-2	1	404.444	2.421	50	0		HEAAML
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1OC	ZINC000005818595	568819725	/nfs/dbraw/zinc/81/97/25/568819725.db2.gz	XOXUKLFBWWHKOS-BQYQJAHWSA-N	-2	1	407.400	2.301	50	0		HEAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000012541966	568848761	/nfs/dbraw/zinc/84/87/61/568848761.db2.gz	RFPKKVVOPAOSHT-UHFFFAOYSA-N	-2	1	424.500	2.360	50	0		HEAAML
O=CN1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365095	569152224	/nfs/dbraw/zinc/15/22/24/569152224.db2.gz	UZLSUEPIASZWJX-NRFANRHFSA-N	-2	1	421.453	2.288	50	0		HEAAML
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000205960423	559187091	/nfs/dbraw/zinc/18/70/91/559187091.db2.gz	HWVSANJHRMJNNL-CYBMUJFWSA-N	-2	1	402.790	2.447	50	0		HEAAML
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1	ZINC000064461953	569063118	/nfs/dbraw/zinc/06/31/18/569063118.db2.gz	FUFZRAAOVRGJIT-UHFFFAOYSA-N	-2	1	403.504	2.500	50	0		HEAAML
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1OC	ZINC000000715666	557067888	/nfs/dbraw/zinc/06/78/88/557067888.db2.gz	WIFPZDZJNRLTLB-FPYGCLRLSA-N	-2	1	407.400	2.301	50	0		HEAAML
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1OC	ZINC000001470128	557269199	/nfs/dbraw/zinc/26/91/99/557269199.db2.gz	DDIIINOQVMVDBG-VOTSOKGWSA-N	-2	1	407.400	2.301	50	0		HEAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c1C	ZINC000005135035	559250305	/nfs/dbraw/zinc/25/03/05/559250305.db2.gz	GMIXLDZEMOLPFT-UHFFFAOYSA-N	-2	1	412.489	2.053	50	0		HEAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011865454	559263409	/nfs/dbraw/zinc/26/34/09/559263409.db2.gz	BYFDOESZBSWNRE-GOSISDBHSA-N	-2	1	411.410	2.257	50	0		HEAAML
COC(=O)c1cc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(F)cc1F	ZINC000040155214	571202414	/nfs/dbraw/zinc/20/24/14/571202414.db2.gz	HKXHSIISGNDBCA-UHFFFAOYSA-N	-2	1	415.370	2.188	50	0		HEAAML
O=CN1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036357488	569148913	/nfs/dbraw/zinc/14/89/13/569148913.db2.gz	DBNWNJUUXRFVCY-NRFANRHFSA-N	-2	1	421.453	2.288	50	0		HEAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000013464595	558533067	/nfs/dbraw/zinc/53/30/67/558533067.db2.gz	JOVCRTPMPXWSBH-UHFFFAOYSA-N	-2	1	424.500	2.279	50	0		HEAAML
O=C(c1ncccc1[O-])N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1	ZINC000077427817	559004867	/nfs/dbraw/zinc/00/48/67/559004867.db2.gz	WYTWUCHLOYLNBM-UHFFFAOYSA-N	-2	1	410.455	2.182	50	0		HEAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCOCC1	ZINC000035397694	569034956	/nfs/dbraw/zinc/03/49/56/569034956.db2.gz	NHHXQQHXWABKDE-UHFFFAOYSA-N	-2	1	417.487	2.296	50	0		HEAAML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000004217387	557529661	/nfs/dbraw/zinc/52/96/61/557529661.db2.gz	FLSLEGPOVLMJMN-YSSFQJQWSA-N	-2	1	410.470	2.089	50	0	endogenous,in-man	HEAAML
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1	ZINC000024360221	558596203	/nfs/dbraw/zinc/59/62/03/558596203.db2.gz	SMILIRZRPOJNJV-UHFFFAOYSA-N	-2	1	418.349	2.200	50	0		HEAAML
CCc1nn2c([n-]1)nc(C)c([N-]S(=O)(=O)c1ccc(Br)s1)c2=O	ZINC000015942089	569024214	/nfs/dbraw/zinc/02/42/14/569024214.db2.gz	BCNYFEOYHRQUDW-UHFFFAOYSA-N	-2	1	418.298	2.326	50	0		HEAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002104260	569282085	/nfs/dbraw/zinc/28/20/85/569282085.db2.gz	BYFDOESZBSWNRE-SFHVURJKSA-N	-2	1	411.410	2.257	50	0	biogenic	HEAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000032971222	518409674	/nfs/dbraw/zinc/40/96/74/518409674.db2.gz	CRGNEQJRXZFGSJ-UHFFFAOYSA-N	-2	1	404.444	2.225	50	0		HEAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000012825591	569009290	/nfs/dbraw/zinc/00/92/90/569009290.db2.gz	DHEUDGNXYRMOBU-UHFFFAOYSA-N	-2	1	424.500	2.360	50	0		HEAAML
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000012825595	569009299	/nfs/dbraw/zinc/00/92/99/569009299.db2.gz	UWVSHOAFWCCGFX-UHFFFAOYSA-N	-2	1	412.489	2.182	50	0		HEAAML
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)[N-]n1c(=O)c2ccccc2[n-]c1=S	ZINC000002790905	557761463	/nfs/dbraw/zinc/76/14/63/557761463.db2.gz	ZGLOQRSXMASVQT-UHFFFAOYSA-N	-2	1	403.773	2.475	50	0		HEAAML
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000205960404	559187054	/nfs/dbraw/zinc/18/70/54/559187054.db2.gz	HWVSANJHRMJNNL-ZDUSSCGKSA-N	-2	1	402.790	2.447	50	0		HEAAML
COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(=O)[O-])cc1OC	ZINC000012556954	568856040	/nfs/dbraw/zinc/85/60/40/568856040.db2.gz	GZFAFCFYBDIYQK-UHFFFAOYSA-N	-2	1	409.416	2.364	50	0		HEAAML
O=C([O-])Cn1cc(C=C2C(=O)[N-]C(=S)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000006400198	569259150	/nfs/dbraw/zinc/25/91/50/569259150.db2.gz	KSKJBYQWWVPQRP-NVNXTCNLSA-N	-2	1	409.423	2.146	50	0		HEAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000032755032	526380028	/nfs/dbraw/zinc/38/00/28/526380028.db2.gz	LMMPPYVZCFLPRG-UHFFFAOYSA-N	-2	1	424.500	2.360	50	0		HEAAML
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)ccc1O	ZINC000079054861	569425834	/nfs/dbraw/zinc/42/58/34/569425834.db2.gz	ACEJRYVJQCXNJI-UHFFFAOYSA-N	-2	1	407.400	2.027	50	0		HEAAML
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1OC	ZINC000005729301	560855387	/nfs/dbraw/zinc/85/53/87/560855387.db2.gz	XOXUKLFBWWHKOS-FPLPWBNLSA-N	-2	1	407.400	2.301	50	0		HEAAML
CN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000032961737	523923557	/nfs/dbraw/zinc/92/35/57/523923557.db2.gz	NFHCSLCCOIKUTI-UHFFFAOYSA-N	-2	1	411.430	2.216	50	0		HEAAML
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1	ZINC000012521404	568841869	/nfs/dbraw/zinc/84/18/69/568841869.db2.gz	AVLXHWZXVOEVKJ-UHFFFAOYSA-N	-2	1	407.400	2.052	50	0		HEAAML
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000040058717	571146300	/nfs/dbraw/zinc/14/63/00/571146300.db2.gz	IDEULOZVBCLUMF-UHFFFAOYSA-N	-2	1	416.452	2.013	50	0		HEAAML
CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000023718049	558570348	/nfs/dbraw/zinc/57/03/48/558570348.db2.gz	ZZLUROGZZYTYKD-UHFFFAOYSA-N	-2	1	416.452	2.011	50	0		HEAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1O	ZINC000008834389	560756773	/nfs/dbraw/zinc/75/67/73/560756773.db2.gz	PWOSPQIKPOCVPG-UHFFFAOYSA-N	-2	1	419.196	2.496	50	0		HEAAML
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000013042296	558507963	/nfs/dbraw/zinc/50/79/63/558507963.db2.gz	GNZXUNNUWCAZPZ-UHFFFAOYSA-N	-2	1	412.489	2.216	50	0		HEAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc2c1OCCO2	ZINC000079020507	569424275	/nfs/dbraw/zinc/42/42/75/569424275.db2.gz	SFMHSMZXPSNZKL-UHFFFAOYSA-N	-2	1	418.427	2.084	50	0		HEAAML
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1C(=O)[O-]	ZINC000069510534	571228715	/nfs/dbraw/zinc/22/87/15/571228715.db2.gz	IOSYPWLGJUWUGL-UHFFFAOYSA-N	-2	1	404.444	2.477	50	0		HEAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)ccc1F	ZINC000013262164	558528209	/nfs/dbraw/zinc/52/82/09/558528209.db2.gz	MGHSYFHUFPPTKA-UHFFFAOYSA-N	-2	1	409.363	2.321	50	0		HEAAML
COc1cc(OC)cc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[n-]c2=S)c1	ZINC000102236238	560808907	/nfs/dbraw/zinc/80/89/07/560808907.db2.gz	HRWPDNHIUKJOFW-UHFFFAOYSA-N	-2	1	421.456	2.154	50	0		HEAAML