smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cc1ccc(-n2c(-c3ccc4ccccc4n3)n[n-]c2=S)cc1	ZINC000005906543	204229227	/nfs/dbraw/zinc/22/92/27/204229227.db2.gz	NOZRDARYRWBEFR-UHFFFAOYSA-N	-2	0	362.414	3.772	50	0		FHAARL
CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000008714931	204339949	/nfs/dbraw/zinc/33/99/49/204339949.db2.gz	CSZJEAPRFXVWRE-UHFFFAOYSA-N	-2	0	369.826	3.546	50	0		FHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1Cl	ZINC000047318102	206080680	/nfs/dbraw/zinc/08/06/80/206080680.db2.gz	YEKWHMRLTZZRSC-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2	ZINC000012605854	206294424	/nfs/dbraw/zinc/29/44/24/206294424.db2.gz	JETVVPOWRRULPF-UHFFFAOYSA-N	-2	0	371.439	3.818	50	0		FHAARL
CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000013345501	206301821	/nfs/dbraw/zinc/30/18/21/206301821.db2.gz	PDRJRWHXXSNMEQ-AWNIVKPZSA-N	-2	0	359.447	3.883	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)sc1C(=O)[O-]	ZINC000058418926	221118410	/nfs/dbraw/zinc/11/84/10/221118410.db2.gz	OPGKWYKBWLYTDQ-UHFFFAOYSA-N	-2	0	373.455	3.807	50	0		FHAARL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000023805067	568426713	/nfs/dbraw/zinc/42/67/13/568426713.db2.gz	WZSABUGVQKEYOG-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000031903968	571056049	/nfs/dbraw/zinc/05/60/49/571056049.db2.gz	DQUZXXOLJNZQAT-UHFFFAOYSA-N	-2	0	363.435	3.591	50	0		FHAARL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000033047667	571121310	/nfs/dbraw/zinc/12/13/10/571121310.db2.gz	JRAWTJJSXVJUNY-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C(=O)[O-])[C@](C)(CCC(=O)[O-])[C@H]3CC[C@@]12C	ZINC000257358637	571163752	/nfs/dbraw/zinc/16/37/52/571163752.db2.gz	VPAQMNMQVVSVFR-DIHXIHFKSA-N	-2	0	364.482	4.000	50	0		FHAARL
CCc1cc2c(cc1[O-])oc(CCC(=O)[O-])c(-c1nc(C)cs1)c2=O	ZINC000019522840	571326477	/nfs/dbraw/zinc/32/64/77/571326477.db2.gz	ZYEPAHVOEAWWEJ-UHFFFAOYSA-N	-2	0	359.403	3.510	50	0		FHAARL
O=C([O-])c1ccc(CSc2n[n-]/c(=N\c3cccc(Cl)c3)s2)o1	ZINC000008718251	204340933	/nfs/dbraw/zinc/34/09/33/204340933.db2.gz	OOBNQLNDTQYAST-UHFFFAOYSA-N	-2	0	367.839	3.941	50	0		FHAARL
CSc1ccc(-c2noc(-c3c([O-])[n-]c4cc(F)ccc4c3=O)n2)cc1	ZINC000096398056	205875956	/nfs/dbraw/zinc/87/59/56/205875956.db2.gz	ZTJJDEKNIOCXDB-UHFFFAOYSA-N	-2	0	369.377	3.812	50	0		FHAARL
CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000031903969	571055951	/nfs/dbraw/zinc/05/59/51/571055951.db2.gz	FFVBESZHWNHKIP-UHFFFAOYSA-N	-2	0	363.435	3.591	50	0		FHAARL
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c2ccccc12	ZINC000032601567	571058677	/nfs/dbraw/zinc/05/86/77/571058677.db2.gz	UUQSQAWGJUQSSD-UHFFFAOYSA-N	-2	0	371.414	3.738	50	0		FHAARL
O=[P@@]([O-])(CCCCCC[P@](=O)([O-])c1ccccc1)c1ccccc1	ZINC000075261057	571187458	/nfs/dbraw/zinc/18/74/58/571187458.db2.gz	DJYPRLTWEXWFKJ-UHFFFAOYSA-N	-2	0	366.334	3.739	50	0		FHAARL
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000001177204	219385537	/nfs/dbraw/zinc/38/55/37/219385537.db2.gz	SCLMHOXYPVUESX-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl	ZINC000003340502	206233203	/nfs/dbraw/zinc/23/32/03/206233203.db2.gz	ZMCQPKFVAFXADF-WEVVVXLNSA-N	-2	0	351.811	3.547	50	0		FHAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c1	ZINC000013340827	206302129	/nfs/dbraw/zinc/30/21/29/206302129.db2.gz	YVHCSYZTXFUWPN-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
CC(C)(C)Cc1c(C(=O)[O-])cc(C(=O)[O-])c(CC(C)(C)C)c1C(=O)[O-]	ZINC000096319132	570480556	/nfs/dbraw/zinc/48/05/56/570480556.db2.gz	HHHNIDPQTUPFFX-UHFFFAOYSA-N	-3	0	350.411	3.958	50	0		FHAARL
C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000003212562	204082678	/nfs/dbraw/zinc/08/26/78/204082678.db2.gz	NJEOJZICOJVEDE-MQQKCMAXSA-N	-2	0	367.357	3.946	50	0		FHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3ccccc3c2)c1C	ZINC000005133660	570588613	/nfs/dbraw/zinc/58/86/13/570588613.db2.gz	YFKIPSVGQLRDKK-UHFFFAOYSA-N	-2	0	355.415	3.956	50	0		FHAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1	ZINC000052471866	206220822	/nfs/dbraw/zinc/22/08/22/206220822.db2.gz	ODTIRNGCWCAKCS-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000008108271	206246852	/nfs/dbraw/zinc/24/68/52/206246852.db2.gz	XRNFWEBNTHCDKP-UHFFFAOYSA-N	-2	0	363.435	3.591	50	0		FHAARL
O=C([O-])c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(C(=O)[O-])c1	ZINC000004506874	206237543	/nfs/dbraw/zinc/23/75/43/206237543.db2.gz	YPRDKLOZWAARRM-UHFFFAOYSA-N	-2	0	354.145	3.642	50	0		FHAARL
CCc1cc2c(cc1[O-])oc(CCCC(=O)[O-])c(-c1nc(C)cs1)c2=O	ZINC000022289134	203923774	/nfs/dbraw/zinc/92/37/74/203923774.db2.gz	CAIIQVGXMXEZRA-UHFFFAOYSA-N	-2	0	373.430	3.900	50	0		FHAARL
O=C([O-])c1ccc(-n2c(-c3cc(-c4ccccc4)[nH]n3)n[n-]c2=S)cc1	ZINC000008996525	204352195	/nfs/dbraw/zinc/35/21/95/204352195.db2.gz	PVVPDIJFJKFEOL-UHFFFAOYSA-N	-2	0	363.402	3.685	50	0		FHAARL
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccc(C(=O)[O-])cc2)n1	ZINC000089469956	205293030	/nfs/dbraw/zinc/29/30/30/205293030.db2.gz	YLQUKPVGUGPRIK-UHFFFAOYSA-N	-2	0	364.361	3.669	50	0		FHAARL
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000032601594	571058646	/nfs/dbraw/zinc/05/86/46/571058646.db2.gz	XCLXSMUQNMABMQ-UHFFFAOYSA-N	-2	0	371.414	3.738	50	0		FHAARL
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2cccc(C(=O)[O-])c2)n1	ZINC000170621824	206132566	/nfs/dbraw/zinc/13/25/66/206132566.db2.gz	KSMTVFGHZLZWLD-UHFFFAOYSA-N	-2	0	364.361	3.669	50	0		FHAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1	ZINC000012541594	206293184	/nfs/dbraw/zinc/29/31/84/206293184.db2.gz	JBIMIIHYQULNIN-UHFFFAOYSA-N	-2	0	352.220	3.554	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-]	ZINC000037238903	571266452	/nfs/dbraw/zinc/26/64/52/571266452.db2.gz	YPLZIKHIXFMZEX-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
Cc1cc(C(C)(C)c2ccc(OCC(=O)[O-])c(C)c2)ccc1OCC(=O)[O-]	ZINC000001509554	204011315	/nfs/dbraw/zinc/01/13/15/204011315.db2.gz	JOMPPCWOASJTBW-UHFFFAOYSA-N	-2	0	372.417	3.556	50	0		FHAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1	ZINC000012521184	206292431	/nfs/dbraw/zinc/29/24/31/206292431.db2.gz	YKKFNJUHVQCEQI-UHFFFAOYSA-N	-2	0	359.375	3.500	50	0		FHAARL
CC(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000013342220	206301651	/nfs/dbraw/zinc/30/16/51/206301651.db2.gz	VNCWJGQZEQCBLY-UHFFFAOYSA-N	-2	0	353.827	3.962	50	0		FHAARL
CCOc1ccc([C@H](CC(=O)[O-])c2c([O-])c3ccccc3oc2=O)cc1	ZINC000016691539	570450982	/nfs/dbraw/zinc/45/09/82/570450982.db2.gz	NKDJTNFKGHVBMN-HNNXBMFYSA-N	-2	0	354.358	3.504	50	0		FHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3ccccc32)c1C	ZINC000005133624	570588597	/nfs/dbraw/zinc/58/85/97/570588597.db2.gz	IDCTZNGEAFHFFX-UHFFFAOYSA-N	-2	0	355.415	3.956	50	0		FHAARL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000013278902	570775867	/nfs/dbraw/zinc/77/58/67/570775867.db2.gz	MHTOIWXZIKKIQJ-UHFFFAOYSA-N	-2	0	363.869	3.622	50	0		FHAARL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000058370801	571086432	/nfs/dbraw/zinc/08/64/32/571086432.db2.gz	RHVUDZBWHSQIPX-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
O=C([O-])c1cc(NC(=O)Cc2ccccc2C(=O)[O-])c(Cl)cc1Cl	ZINC000071286410	571270012	/nfs/dbraw/zinc/27/00/12/571270012.db2.gz	SOBCVODSPJPMGK-UHFFFAOYSA-N	-2	0	368.172	3.571	50	0		FHAARL
CO[C@H]1CC[C@]2(C)C(=C/C(=O)[O-])/C(=C/C(C)C)CC[C@H]2[C@@]1(C)C(=O)[O-]	ZINC000261491330	210007524	/nfs/dbraw/zinc/00/75/24/210007524.db2.gz	RFADDOHXPPKSOK-SRUYDVSWSA-N	-2	0	350.455	3.896	50	0		FHAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1	ZINC000007057617	207185223	/nfs/dbraw/zinc/18/52/23/207185223.db2.gz	ZYLDZDWRGKYTPB-UHFFFAOYSA-N	-2	0	369.398	3.978	50	0		FHAARL
O=C([O-])c1c2n(c(-c3ccc(Br)cc3)c1C(=O)[O-])CSC2	ZINC000004002226	570572759	/nfs/dbraw/zinc/57/27/59/570572759.db2.gz	YDMSUGQOLAJDKM-UHFFFAOYSA-N	-2	0	368.208	3.518	50	0		FHAARL
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000013033075	570818174	/nfs/dbraw/zinc/81/81/74/570818174.db2.gz	PFLASNMFPYDPOZ-UHFFFAOYSA-N	-2	0	357.840	3.561	50	0		FHAARL
O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000013087543	570819692	/nfs/dbraw/zinc/81/96/92/570819692.db2.gz	OTITXRGLEGREHP-UHFFFAOYSA-N	-2	0	363.341	3.617	50	0		FHAARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc2cccc(Cl)c21	ZINC000035685528	571188946	/nfs/dbraw/zinc/18/89/46/571188946.db2.gz	AGLPQVLOSKHRHI-UHFFFAOYSA-N	-2	0	361.806	3.992	50	0		FHAARL
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C(=O)[O-])[C@](C)(CCC(=O)[O-])[C@H]3CC[C@]12C	ZINC000257358638	210005510	/nfs/dbraw/zinc/00/55/10/210005510.db2.gz	VPAQMNMQVVSVFR-KUSUPKCZSA-N	-2	0	364.482	4.000	50	0		FHAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000104163917	209259871	/nfs/dbraw/zinc/25/98/71/209259871.db2.gz	ZMGBJNPVLGUQTK-UHFFFAOYSA-N	-2	0	360.417	3.677	50	0		FHAARL
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000101261214	209222555	/nfs/dbraw/zinc/22/25/55/209222555.db2.gz	SVLZSRCPZWECJR-JKSUJKDBSA-N	-2	0	372.787	3.539	50	0		FHAARL
Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1Cl	ZINC000009002242	207255215	/nfs/dbraw/zinc/25/52/15/207255215.db2.gz	XSUGYFVTBQTTAU-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
O=C([O-])c1ccc(C2(c3ccc(C(=O)[O-])cc3)OC(=O)c3ccccc32)cc1	ZINC000004015301	570572717	/nfs/dbraw/zinc/57/27/17/570572717.db2.gz	CEPYVIYDCXDLEE-UHFFFAOYSA-N	-2	0	374.348	3.545	50	0		FHAARL
CCOc1ccc([C@@H](CC(=O)[O-])c2c([O-])c3ccccc3oc2=O)cc1	ZINC000016691537	209018932	/nfs/dbraw/zinc/01/89/32/209018932.db2.gz	NKDJTNFKGHVBMN-OAHLLOKOSA-N	-2	0	354.358	3.504	50	0		FHAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	ZINC000013340850	570825206	/nfs/dbraw/zinc/82/52/06/570825206.db2.gz	ACWDIVWLEZGVRM-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
COc1ccc(Cl)cc1-c1n[n-]c(=S)n1-c1ccc(C(=O)[O-])cc1	ZINC000002351607	571318581	/nfs/dbraw/zinc/31/85/81/571318581.db2.gz	AXLQRXUBVVYWEN-UHFFFAOYSA-N	-2	0	361.810	3.957	50	0		FHAARL
CCSc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000048382779	209331987	/nfs/dbraw/zinc/33/19/87/209331987.db2.gz	DOUCIPXMEVEQPK-UHFFFAOYSA-N	-2	0	357.478	3.668	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1	ZINC000048285892	209330429	/nfs/dbraw/zinc/33/04/29/209330429.db2.gz	AKZBTOAZKPWITJ-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(Cl)c4)c=3c2=O)c1	ZINC000101260771	209222578	/nfs/dbraw/zinc/22/25/78/209222578.db2.gz	YNEGTWITNLBRJH-IAGOWNOFSA-N	-2	0	368.824	3.763	50	0		FHAARL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)cc1	ZINC000011694710	570548487	/nfs/dbraw/zinc/54/84/87/570548487.db2.gz	JVSSISPBKNALAF-UHFFFAOYSA-N	-2	0	359.341	3.688	50	0		FHAARL
C[C@H](Sc1ccc(Br)c2cccc(C(=O)[O-])c12)C(=O)[O-]	ZINC000004124333	570577523	/nfs/dbraw/zinc/57/75/23/570577523.db2.gz	ZUDAXBQWIMKEJB-ZETCQYMHSA-N	-2	0	355.209	3.866	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)[O-])c1	ZINC000058357110	571086449	/nfs/dbraw/zinc/08/64/49/571086449.db2.gz	YCXHBEXTSHVWPG-UHFFFAOYSA-N	-2	0	359.325	3.513	50	0		FHAARL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000014097361	571271627	/nfs/dbraw/zinc/27/16/27/571271627.db2.gz	MVMCTQUZSWMRKR-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(F)(F)F	ZINC000095377521	571329158	/nfs/dbraw/zinc/32/91/58/571329158.db2.gz	BLFJJECQUOUWKR-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000008715809	207243993	/nfs/dbraw/zinc/24/39/93/207243993.db2.gz	KYMDMRZEWRMOSO-UHFFFAOYSA-N	-2	0	363.435	3.708	50	0		FHAARL
Cc1cc(O)c(/C(=C\C(=O)[O-])C[P@](=O)([O-])CCc2ccccc2)cc1C	ZINC000036369987	207282161	/nfs/dbraw/zinc/28/21/61/207282161.db2.gz	UPCOZCBCBWQLCC-ATVHPVEESA-N	-2	0	374.373	3.990	50	0		FHAARL
CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000032601664	208031818	/nfs/dbraw/zinc/03/18/18/208031818.db2.gz	DJVIAYHAJHJNON-UHFFFAOYSA-N	-2	0	363.435	3.708	50	0		FHAARL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000058357644	571086462	/nfs/dbraw/zinc/08/64/62/571086462.db2.gz	YAWAPKVEPTUNIK-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(-c2ccccc2)s1	ZINC000170595637	571266330	/nfs/dbraw/zinc/26/63/30/571266330.db2.gz	LCDGMRCYIFPREO-UHFFFAOYSA-N	-2	0	374.443	3.618	50	0		FHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1Cl	ZINC000047318125	209328765	/nfs/dbraw/zinc/32/87/65/209328765.db2.gz	HHMBZKFXGVTZSR-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1C	ZINC000005134693	570588631	/nfs/dbraw/zinc/58/86/31/570588631.db2.gz	NEDHPPJOLQHUCG-UHFFFAOYSA-N	-2	0	357.790	3.595	50	0		FHAARL
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000005134121	570588681	/nfs/dbraw/zinc/58/86/81/570588681.db2.gz	SACQCMSCGQBHDS-UHFFFAOYSA-N	-2	0	374.245	3.811	50	0		FHAARL
O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000013263020	570825184	/nfs/dbraw/zinc/82/51/84/570825184.db2.gz	ACLSKYXANCBJLW-UHFFFAOYSA-N	-2	0	361.806	3.992	50	0		FHAARL
Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@@H](CCC(=O)[O-])C(=O)[O-])c2c1	ZINC000001916611	209392536	/nfs/dbraw/zinc/39/25/36/209392536.db2.gz	KKULUXXWNPSKNG-MXVUGKIDSA-N	-2	0	365.385	3.627	50	0		FHAARL
CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000008715812	207243190	/nfs/dbraw/zinc/24/31/90/207243190.db2.gz	XOCFOANPPNSIDI-UHFFFAOYSA-N	-2	0	369.826	3.546	50	0		FHAARL
Cc1c(C(=O)[O-])c2cc(OCC(=O)[O-])ccc2n1-c1cccc(Cl)c1	ZINC000038422965	208202397	/nfs/dbraw/zinc/20/23/97/208202397.db2.gz	BMJFEEJWMOZDLY-UHFFFAOYSA-N	-2	0	359.765	3.754	50	0		FHAARL
COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000012548553	571178883	/nfs/dbraw/zinc/17/88/83/571178883.db2.gz	FCCURDFGMNBWAG-UHFFFAOYSA-N	-2	0	369.464	3.553	50	0		FHAARL
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C(=O)[O-])o2)cc1	ZINC000226353536	571340829	/nfs/dbraw/zinc/34/08/29/571340829.db2.gz	GTGUOXIOFWCKDU-UHFFFAOYSA-N	-2	0	357.387	3.754	50	0		FHAARL
O=C([O-])c1ccnc2ccc(Oc3ccc4nccc(C(=O)[O-])c4c3)cc21	ZINC000022205948	930138422	/nfs/dbraw/zinc/13/84/22/930138422.db2.gz	ZOAALTOEKBGVEC-UHFFFAOYSA-N	-2	0	360.325	3.972	50	0		FHAARL
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C	ZINC000101260335	209223101	/nfs/dbraw/zinc/22/31/01/209223101.db2.gz	OFGUCQMPCWBOCQ-IRXDYDNUSA-N	-2	0	368.824	3.763	50	0		FHAARL
CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000008714928	207242941	/nfs/dbraw/zinc/24/29/41/207242941.db2.gz	NKVIBJFJFOZNLD-UHFFFAOYSA-N	-2	0	369.826	3.546	50	0		FHAARL
COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000008714927	207243407	/nfs/dbraw/zinc/24/34/07/207243407.db2.gz	FWJBHEGLBVVPJC-UHFFFAOYSA-N	-2	0	363.435	3.626	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)[O-])c1	ZINC000036961630	207353861	/nfs/dbraw/zinc/35/38/61/207353861.db2.gz	MBQCJTOJKCJKBC-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(F)(F)F	ZINC000010514399	571127788	/nfs/dbraw/zinc/12/77/88/571127788.db2.gz	KNVQBFSWYQZBMN-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1C=Nc1ccc(O)cc1C(=O)[O-]	ZINC000252619846	571204398	/nfs/dbraw/zinc/20/43/98/571204398.db2.gz	LSVZYIVDLKOVLC-UHFFFAOYSA-N	-2	0	364.741	3.725	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)sc1C(=O)[O-]	ZINC000037225801	571266157	/nfs/dbraw/zinc/26/61/57/571266157.db2.gz	KLTTUFCUCXSUQS-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)s1	ZINC000055577605	571337995	/nfs/dbraw/zinc/33/79/95/571337995.db2.gz	OSDWAJYXVZKKNR-UHFFFAOYSA-N	-2	0	357.478	3.531	50	0		FHAARL
O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000013269177	220063001	/nfs/dbraw/zinc/06/30/01/220063001.db2.gz	TYADSVBJURRHGR-UHFFFAOYSA-N	-2	0	363.341	3.617	50	0		FHAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Cl	ZINC000020255011	211272834	/nfs/dbraw/zinc/27/28/34/211272834.db2.gz	NVBDESMQYRNCMG-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
COc1ccccc1-c1noc(-c2c([O-])[n-]c3ccc(Cl)cc3c2=O)n1	ZINC000096398054	222118693	/nfs/dbraw/zinc/11/86/93/222118693.db2.gz	RNWIUTWJAXUIDL-UHFFFAOYSA-N	-2	0	369.764	3.613	50	0		FHAARL
O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000097075209	222154948	/nfs/dbraw/zinc/15/49/48/222154948.db2.gz	OCWSOJDFNWRZIW-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)c1	ZINC000101260743	222266277	/nfs/dbraw/zinc/26/62/77/222266277.db2.gz	YONAABIEVDSBOE-CVEARBPZSA-N	-2	0	372.787	3.594	50	0		FHAARL
O=C([O-])c1ccc2ncc(C(=O)[O-])c(Nc3cc(Cl)ccc3O)c2c1	ZINC000005610191	263342080	/nfs/dbraw/zinc/34/20/80/263342080.db2.gz	QWZZVFIHCYJBQG-UHFFFAOYSA-N	-2	0	358.737	3.734	50	0		FHAARL
CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000005133573	570588429	/nfs/dbraw/zinc/58/84/29/570588429.db2.gz	BKVWMBVKESCOPY-UHFFFAOYSA-N	-2	0	351.449	3.524	50	0		FHAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1C	ZINC000005133732	570588608	/nfs/dbraw/zinc/58/86/08/570588608.db2.gz	ODGZONGJFOUNNO-UHFFFAOYSA-N	-2	0	373.352	3.821	50	0		FHAARL
CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000013345442	220064583	/nfs/dbraw/zinc/06/45/83/220064583.db2.gz	NSZACQCUFISPNY-UHFFFAOYSA-N	-2	0	357.840	3.561	50	0		FHAARL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000014097291	220106439	/nfs/dbraw/zinc/10/64/39/220106439.db2.gz	AVPDZPLKVGTTKU-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(=O)[O-]	ZINC000044750138	570899027	/nfs/dbraw/zinc/89/90/27/570899027.db2.gz	APKKHXYUOLBPJN-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
Cc1ccc(O)c(/C(=C\C(=O)[O-])C[P@](=O)([O-])CCc2ccccc2)c1	ZINC000032123787	571050311	/nfs/dbraw/zinc/05/03/11/571050311.db2.gz	DTXBUZQCAJVSQP-VBKFSLOCSA-N	-2	0	360.346	3.682	50	0		FHAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)F	ZINC000012521391	220002126	/nfs/dbraw/zinc/00/21/26/220002126.db2.gz	SVQXEZRJPSDMEV-UHFFFAOYSA-N	-2	0	373.402	3.809	50	0		FHAARL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000013278912	220063027	/nfs/dbraw/zinc/06/30/27/220063027.db2.gz	SWNQZLKPPJTPKJ-UHFFFAOYSA-N	-2	0	357.840	3.561	50	0		FHAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000007708307	571286128	/nfs/dbraw/zinc/28/61/28/571286128.db2.gz	MHNISNOFHDJOMH-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1	ZINC000013300072	570825149	/nfs/dbraw/zinc/82/51/49/570825149.db2.gz	FFLJNWLLPAJDOR-UHFFFAOYSA-N	-2	0	373.455	3.838	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)sc1C(=O)[O-]	ZINC000045774656	570912123	/nfs/dbraw/zinc/91/21/23/570912123.db2.gz	JRMAAXNAWKZGGS-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cc2O)cc1	ZINC000012851837	571128555	/nfs/dbraw/zinc/12/85/55/571128555.db2.gz	LQLZQPDRUQWMBQ-UHFFFAOYSA-N	-2	0	368.462	3.959	50	0		FHAARL
Cc1cc(C)c(/C(=C\C(=O)[O-])C[P@](=O)([O-])CCc2ccccc2)c(O)c1	ZINC000036366245	571250295	/nfs/dbraw/zinc/25/02/95/571250295.db2.gz	BZFUTYGZPVFJNR-ATVHPVEESA-N	-2	0	374.373	3.990	50	0		FHAARL
CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1	ZINC000007745946	571287861	/nfs/dbraw/zinc/28/78/61/571287861.db2.gz	LFWZEKXWMRXSSJ-UHFFFAOYSA-N	-2	0	351.449	3.524	50	0		FHAARL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl	ZINC000055508464	571337683	/nfs/dbraw/zinc/33/76/83/571337683.db2.gz	ISDLJZGDYBVCAP-UHFFFAOYSA-N	-2	0	371.867	3.869	50	0		FHAARL
C[C@@H](Sc1ccc(Br)c2cccc(C(=O)[O-])c12)C(=O)[O-]	ZINC000004124334	570577632	/nfs/dbraw/zinc/57/76/32/570577632.db2.gz	ZUDAXBQWIMKEJB-SSDOTTSWSA-N	-2	0	355.209	3.866	50	0		FHAARL
Cc1ccc2oc(=O)c(Cc3c([O-])c4cc(C)ccc4oc3=O)c([O-])c2c1	ZINC000045258649	570907200	/nfs/dbraw/zinc/90/72/00/570907200.db2.gz	DLPTXAHVYPPGPQ-UHFFFAOYSA-N	-2	0	364.353	3.518	50	0		FHAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1	ZINC000028260697	571021957	/nfs/dbraw/zinc/02/19/57/571021957.db2.gz	ZPZKJPYJBKZDPL-UHFFFAOYSA-N	-2	0	367.448	3.569	50	0		FHAARL
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)c1	ZINC000032601651	571058738	/nfs/dbraw/zinc/05/87/38/571058738.db2.gz	KULMRMPKELUUKN-UHFFFAOYSA-N	-2	0	361.806	3.992	50	0		FHAARL
O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1	ZINC000096931287	222142269	/nfs/dbraw/zinc/14/22/69/222142269.db2.gz	HEHNQVPRIDCTQB-BAQGIRSFSA-N	-2	0	359.428	3.800	50	0		FHAARL
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1F	ZINC000101260351	222266364	/nfs/dbraw/zinc/26/63/64/222266364.db2.gz	RWZNEVVUQCHAAZ-HOTGVXAUSA-N	-2	0	372.787	3.594	50	0		FHAARL
Cc1cc(C)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260349	222266998	/nfs/dbraw/zinc/26/69/98/222266998.db2.gz	KGHKFAYCVGOENS-IAGOWNOFSA-N	-2	0	368.824	3.763	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)sc1C(=O)[O-]	ZINC000045774818	570912140	/nfs/dbraw/zinc/91/21/40/570912140.db2.gz	VZKDENVPVTXWJE-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000006416193	571184121	/nfs/dbraw/zinc/18/41/21/571184121.db2.gz	YUXBKFBREPHKLE-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000006588869	571211067	/nfs/dbraw/zinc/21/10/67/571211067.db2.gz	ATSHNTORVCLZRM-UHFFFAOYSA-N	-2	0	352.220	3.554	50	0		FHAARL
Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3[n-]c(=S)oc3c2)c1	ZINC000079111597	571327101	/nfs/dbraw/zinc/32/71/01/571327101.db2.gz	XDDIEJBLGZNCHD-UHFFFAOYSA-N	-2	0	371.443	3.774	50	0		FHAARL
CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000002939992	210438830	/nfs/dbraw/zinc/43/88/30/210438830.db2.gz	QFANACTWQZFBLA-GFCCVEGCSA-N	-2	0	371.389	3.614	50	0		FHAARL
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000101261213	222266755	/nfs/dbraw/zinc/26/67/55/222266755.db2.gz	SVLZSRCPZWECJR-CVEARBPZSA-N	-2	0	372.787	3.539	50	0		FHAARL
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000095946192	570471692	/nfs/dbraw/zinc/47/16/92/570471692.db2.gz	IRZFKGVOPCLPJZ-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000008715811	570685789	/nfs/dbraw/zinc/68/57/89/570685789.db2.gz	VNMYODFQLYKUGI-UHFFFAOYSA-N	-2	0	363.435	3.626	50	0		FHAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1	ZINC000013299951	570825191	/nfs/dbraw/zinc/82/51/91/570825191.db2.gz	WVOHZADNTNXVML-UHFFFAOYSA-N	-2	0	352.220	3.554	50	0		FHAARL
CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000064374803	212036511	/nfs/dbraw/zinc/03/65/11/212036511.db2.gz	WCIPPVYMVOZTOG-UHFFFAOYSA-N	-2	0	363.869	3.622	50	0		FHAARL
Cc1cc(C)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260345	222266158	/nfs/dbraw/zinc/26/61/58/222266158.db2.gz	KGHKFAYCVGOENS-SJORKVTESA-N	-2	0	368.824	3.763	50	0		FHAARL
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1C	ZINC000101260340	222266391	/nfs/dbraw/zinc/26/63/91/222266391.db2.gz	OFGUCQMPCWBOCQ-SJORKVTESA-N	-2	0	368.824	3.763	50	0		FHAARL
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C(=O)[O-])[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@@]12C	ZINC000257358640	527131911	/nfs/dbraw/zinc/13/19/11/527131911.db2.gz	VPAQMNMQVVSVFR-ZIINNREOSA-N	-2	0	364.482	4.000	50	0		FHAARL
O=C([O-])c1ccc(OCc2n[n-]c(=S)n2-c2ccc(Cl)cc2)cc1	ZINC000002562086	570524906	/nfs/dbraw/zinc/52/49/06/570524906.db2.gz	XDCNHAPIVDCSRB-UHFFFAOYSA-N	-2	0	361.810	3.860	50	0		FHAARL
O=C([O-])c1cccc2c(-c3nnc(-c4ccccc4)o3)ccc(C(=O)[O-])c12	ZINC000003074420	570657307	/nfs/dbraw/zinc/65/73/07/570657307.db2.gz	MGXBKVDKOWZIPN-UHFFFAOYSA-N	-2	0	360.325	3.953	50	0		FHAARL
CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000011614001	570704142	/nfs/dbraw/zinc/70/41/42/570704142.db2.gz	TYPAANKIMANYKG-UHFFFAOYSA-N	-2	0	363.435	3.591	50	0		FHAARL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000032833720	570819280	/nfs/dbraw/zinc/81/92/80/570819280.db2.gz	FCHQZOJBKBGENF-UHFFFAOYSA-N	-2	0	366.247	3.862	50	0		FHAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl	ZINC000047318123	570885921	/nfs/dbraw/zinc/88/59/21/570885921.db2.gz	ZACDBHUAVCGAIT-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OP(=O)([O-])[O-]	ZINC000004025811	571205215	/nfs/dbraw/zinc/20/52/15/571205215.db2.gz	NWJXKHVJFGAOMY-SGYMCOKNSA-N	-2	0	368.410	3.996	50	0	biogenic	FHAARL
CC(=O)[N-]C([N-]c1ncc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000096563969	571336184	/nfs/dbraw/zinc/33/61/84/571336184.db2.gz	WQRPMSNYLLHGGA-UHFFFAOYSA-N	-2	0	370.080	3.757	50	0		FHAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1	ZINC000013340216	220064835	/nfs/dbraw/zinc/06/48/35/220064835.db2.gz	IHRKGZBCVSVPAU-UHFFFAOYSA-N	-2	0	361.806	3.992	50	0		FHAARL
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)c1	ZINC000101260747	222266591	/nfs/dbraw/zinc/26/65/91/222266591.db2.gz	YONAABIEVDSBOE-JKSUJKDBSA-N	-2	0	372.787	3.594	50	0		FHAARL
O=C(c1cc(Br)ccc1[O-])c1cc(Br)ccc1[O-]	ZINC000001680012	560183718	/nfs/dbraw/zinc/18/37/18/560183718.db2.gz	VRLIJNKTPYPWQI-UHFFFAOYSA-N	-2	0	372.012	3.854	50	0	in-vitro	FHAARL
Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(Nc2cccc(C(=O)[O-])c2)n1	ZINC000005448124	570657699	/nfs/dbraw/zinc/65/76/99/570657699.db2.gz	YNQDLEMZPCLFIN-UHFFFAOYSA-N	-2	0	364.361	3.669	50	0		FHAARL
O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1Cl	ZINC000078938638	571152969	/nfs/dbraw/zinc/15/29/69/571152969.db2.gz	MMQOKDOPTPKFCR-UHFFFAOYSA-N	-2	0	361.753	3.777	50	0		FHAARL
Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000078949504	571153965	/nfs/dbraw/zinc/15/39/65/571153965.db2.gz	RXFXZVQAOWVDKA-UHFFFAOYSA-N	-2	0	365.354	3.574	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)cc1Cl	ZINC000032601573	220665019	/nfs/dbraw/zinc/66/50/19/220665019.db2.gz	NANVUFZGQBJTQW-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000002939993	570544724	/nfs/dbraw/zinc/54/47/24/570544724.db2.gz	QFANACTWQZFBLA-LBPRGKRZSA-N	-2	0	371.389	3.614	50	0		FHAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)cc1Cl	ZINC000003201446	570554270	/nfs/dbraw/zinc/55/42/70/570554270.db2.gz	DLTMPHWJUYBJGY-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
CCOc1ccc2ncc(C(=O)[O-])c(Nc3cccc(C(=O)[O-])c3)c2c1	ZINC000005510757	570665890	/nfs/dbraw/zinc/66/58/90/570665890.db2.gz	ARNNZHJHBSMOQA-UHFFFAOYSA-N	-2	0	352.346	3.774	50	0		FHAARL
COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000008714938	570685743	/nfs/dbraw/zinc/68/57/43/570685743.db2.gz	KGCKKXDKQATJSU-UHFFFAOYSA-N	-2	0	363.435	3.626	50	0		FHAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1	ZINC000003349137	571347987	/nfs/dbraw/zinc/34/79/87/571347987.db2.gz	UYNSUGAJQOSUAI-UHFFFAOYSA-N	-2	0	369.398	3.978	50	0		FHAARL
Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)c(C(=O)[O-])oc12	ZINC000001321454	219395245	/nfs/dbraw/zinc/39/52/45/219395245.db2.gz	ZHQHAIICYXQHPS-UHFFFAOYSA-N	-2	0	353.355	3.782	50	0	biogenic	FHAARL
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1	ZINC000002315199	219436679	/nfs/dbraw/zinc/43/66/79/219436679.db2.gz	IEOOGHVXFIFRSY-UHFFFAOYSA-N	-2	0	364.361	3.669	50	0		FHAARL
O=C([O-])c1c(F)cc(F)c(-c2c(F)cc(F)c(C(=O)[O-])c2F)c1F	ZINC000095486381	221921403	/nfs/dbraw/zinc/92/14/03/221921403.db2.gz	MWHZHXJMULHBRR-UHFFFAOYSA-N	-2	0	350.170	3.585	50	0		FHAARL
O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000097075244	222155838	/nfs/dbraw/zinc/15/58/38/222155838.db2.gz	OYLFBPSGWREXIB-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000101261212	222266583	/nfs/dbraw/zinc/26/65/83/222266583.db2.gz	SVLZSRCPZWECJR-HOTGVXAUSA-N	-2	0	372.787	3.539	50	0		FHAARL
O=c1[nH][nH]c2c1CCCCCCCc1[nH][nH]c(=O)c1CCCCCCC2	ZINC000103553506	222338161	/nfs/dbraw/zinc/33/81/61/222338161.db2.gz	KRDAPKLDJJSAJY-HOTGVXAUSA-N	-2	0	360.502	3.665	50	0		FHAARL
O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(C(=O)[O-])c1	ZINC000004667016	570599705	/nfs/dbraw/zinc/59/97/05/570599705.db2.gz	WSFQPBPCRWZNRK-UHFFFAOYSA-N	-2	0	354.145	3.642	50	0		FHAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1	ZINC000047318139	570886050	/nfs/dbraw/zinc/88/60/50/570886050.db2.gz	IOSCBIDGENBXDG-UHFFFAOYSA-N	-2	0	360.218	3.801	50	0		FHAARL
O=C([O-])CSc1ccc(Oc2ccc(SCC(=O)[O-])cc2)cc1	ZINC000000064484	219304744	/nfs/dbraw/zinc/30/47/44/219304744.db2.gz	UMJGJYXRCITRFR-UHFFFAOYSA-N	-2	0	350.417	3.832	50	0		FHAARL
O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(=O)[O-])c1	ZINC000003893693	570570497	/nfs/dbraw/zinc/57/04/97/570570497.db2.gz	XHMPEAJSWDKLQI-UHFFFAOYSA-N	-2	0	354.145	3.642	50	0		FHAARL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)cc1	ZINC000032601596	571058706	/nfs/dbraw/zinc/05/87/06/571058706.db2.gz	ZWYGWUPUQUVVGA-UHFFFAOYSA-N	-2	0	361.806	3.992	50	0		FHAARL
Cc1c(C(=O)[O-])c2cc(OCC(=O)[O-])ccc2n1-c1ccc(Cl)cc1	ZINC000038824486	571086631	/nfs/dbraw/zinc/08/66/31/571086631.db2.gz	MSJNKDFYIJCKCY-UHFFFAOYSA-N	-2	0	359.765	3.754	50	0		FHAARL
O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000095350908	571328836	/nfs/dbraw/zinc/32/88/36/571328836.db2.gz	CQFCQYCTCPWSFA-UHFFFAOYSA-N	-2	0	363.341	3.617	50	0		FHAARL
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C(=O)[O-])[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C	ZINC000257358639	527132833	/nfs/dbraw/zinc/13/28/33/527132833.db2.gz	VPAQMNMQVVSVFR-PLYMWMNVSA-N	-2	0	364.482	4.000	50	0		FHAARL
CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004525275	570594954	/nfs/dbraw/zinc/59/49/54/570594954.db2.gz	NOHAEMLLYXERQB-LBPRGKRZSA-N	-2	0	371.389	3.614	50	0		FHAARL
CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004525272	570595022	/nfs/dbraw/zinc/59/50/22/570595022.db2.gz	NOHAEMLLYXERQB-GFCCVEGCSA-N	-2	0	371.389	3.614	50	0		FHAARL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000033047680	571121323	/nfs/dbraw/zinc/12/13/23/571121323.db2.gz	RHVTWSUUKPGDLZ-UHFFFAOYSA-N	-2	0	364.181	3.632	50	0		FHAARL
O=C([O-])c1cc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1Cl	ZINC000254382742	947503071	/nfs/dbraw/zinc/50/30/71/947503071.db2.gz	XZPZOWLEEXILKP-UHFFFAOYSA-N	-2	0	370.148	3.751	50	0		FHAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-]	ZINC000032926329	570865584	/nfs/dbraw/zinc/86/55/84/570865584.db2.gz	JWJQRVHXGNKFIM-UHFFFAOYSA-N	-2	0	353.465	3.853	50	0		FHAARL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000035306780	571156628	/nfs/dbraw/zinc/15/66/28/571156628.db2.gz	LTSMZSFFBTZWSF-UHFFFAOYSA-N	-2	0	370.210	3.693	50	0		FHAARL
O=C([O-])c1ccccc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-]	ZINC000000705307	219315715	/nfs/dbraw/zinc/31/57/15/219315715.db2.gz	CJUZTFORENMKKN-UHFFFAOYSA-N	-2	0	354.145	3.642	50	0		FHAARL
Cc1ccc(-c2[nH]nc3nc(-c4ccc(C(=O)[O-])cc4)cc(C(=O)[O-])c32)cc1	ZINC000006749001	219766058	/nfs/dbraw/zinc/76/60/58/219766058.db2.gz	MEPZNTPLVFOHRE-UHFFFAOYSA-N	-2	0	373.368	3.997	50	0		FHAARL
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)c1	ZINC000101260738	222266901	/nfs/dbraw/zinc/26/69/01/222266901.db2.gz	YONAABIEVDSBOE-HOTGVXAUSA-N	-2	0	372.787	3.594	50	0		FHAARL
CCc1[n-]n2c(nc(C)c(CCC(=O)[O-])c2=O)c1-c1ccc(Cl)cc1	ZINC000102739603	222306684	/nfs/dbraw/zinc/30/66/84/222306684.db2.gz	UGTHRUYSNCBJLO-UHFFFAOYSA-N	-2	0	359.813	3.643	50	0		FHAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1	ZINC000003227283	570555241	/nfs/dbraw/zinc/55/52/41/570555241.db2.gz	AJVAVWGZGRCGFT-UHFFFAOYSA-N	-2	0	352.220	3.554	50	0		FHAARL
CCCOC(=O)c1ccc(Oc2coc3cc([O-])cc(O)c3c2=O)cc1	ZINC000004661592	946344477	/nfs/dbraw/zinc/34/44/77/946344477.db2.gz	FMWLRKXZTABSKR-UHFFFAOYSA-N	-2	0	356.330	3.563	50	0		FHAARL
Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@H](CCC(=O)[O-])C(=O)[O-])c2c1	ZINC000001916614	219422536	/nfs/dbraw/zinc/42/25/36/219422536.db2.gz	KKULUXXWNPSKNG-VBUUPXLYSA-N	-2	0	365.385	3.627	50	0		FHAARL
Cc1cc(C)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000101260343	222266660	/nfs/dbraw/zinc/26/66/60/222266660.db2.gz	KGHKFAYCVGOENS-IRXDYDNUSA-N	-2	0	368.824	3.763	50	0		FHAARL
Cc1cccc2c([O-])c(Cc3c([O-])c4cccc(C)c4oc3=O)c(=O)oc12	ZINC000033616322	570570234	/nfs/dbraw/zinc/57/02/34/570570234.db2.gz	MXUWNWZUTKMYRI-UHFFFAOYSA-N	-2	0	364.353	3.518	50	0		FHAARL
O=C([O-])c1ccc(Oc2cccc(NC(=O)c3ccco3)c2)cc1C(=O)[O-]	ZINC000004649252	570598495	/nfs/dbraw/zinc/59/84/95/570598495.db2.gz	KKBAQZBZTPHQHT-UHFFFAOYSA-N	-2	0	367.313	3.721	50	0		FHAARL
O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)[O-])c1	ZINC000004826751	570608662	/nfs/dbraw/zinc/60/86/62/570608662.db2.gz	TVEMRRHVOXDFDV-UHFFFAOYSA-N	-2	0	354.145	3.642	50	0		FHAARL
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000032718983	570779555	/nfs/dbraw/zinc/77/95/55/570779555.db2.gz	ARBUAQWNVCPAMC-UHFFFAOYSA-N	-2	0	370.210	3.693	50	0		FHAARL