smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C(=O)c1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)cc1	ZINC000032466214	520553502	/nfs/dbraw/zinc/55/35/02/520553502.db2.gz	ONGRXYHBGKDYTD-UHFFFAOYSA-N	-1	1	423.542	4.037	50	0		HIAAMM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(F)ccc3s2)c1	ZINC000024760869	520804978	/nfs/dbraw/zinc/80/49/78/520804978.db2.gz	HGKDQBBMYVGUAH-UHFFFAOYSA-N	-1	1	422.503	4.029	50	0		HIAAMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1OC	ZINC000032097384	522223012	/nfs/dbraw/zinc/22/30/12/522223012.db2.gz	OTYSDGWZSOWRMW-UHFFFAOYSA-N	-1	1	404.488	4.252	50	0		HIAAMM
CCc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(OC)cc4)no3)n2)cc1	ZINC000040454486	523853368	/nfs/dbraw/zinc/85/33/68/523853368.db2.gz	BFQCNOYFGWTMLF-UHFFFAOYSA-N	-1	1	420.494	4.350	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1	ZINC000020554795	524806965	/nfs/dbraw/zinc/80/69/65/524806965.db2.gz	QMTYVGSNZXBRPR-UHFFFAOYSA-N	-1	1	422.554	4.489	50	0		HIAAMM
Cc1ccc(NC(=O)COc2ccccc2CNCc2ccc(C(=O)[O-])cc2)cc1	ZINC000040732829	525073564	/nfs/dbraw/zinc/07/35/64/525073564.db2.gz	ZCEXUSGCLZJLFF-UHFFFAOYSA-N	-1	1	404.466	4.001	50	0		HIAAMM
COc1cccc(CCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000032930142	525882656	/nfs/dbraw/zinc/88/26/56/525882656.db2.gz	YUBZXTZAWJMWRL-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
O=S(=O)([N-]c1cccc2ccccc21)c1ccc(I)cc1	ZINC000000642701	557033480	/nfs/dbraw/zinc/03/34/80/557033480.db2.gz	KYALMKOGAHYXBA-UHFFFAOYSA-N	-1	1	409.248	4.245	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2C)c(C)c1	ZINC000001077523	557174395	/nfs/dbraw/zinc/17/43/95/557174395.db2.gz	XMUNIXDIBQYZBZ-UHFFFAOYSA-N	-1	1	400.544	4.429	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3C)ccc2C)c1	ZINC000002888901	557423254	/nfs/dbraw/zinc/42/32/54/557423254.db2.gz	PXKRPFPCGVFSMX-UHFFFAOYSA-N	-1	1	408.523	4.343	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000007990938	557769094	/nfs/dbraw/zinc/76/90/94/557769094.db2.gz	IQNNVWPZKUHWHT-KRWDZBQOSA-N	-1	1	413.543	4.363	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1sccc1C)C(C(=O)OCC)=C(C)N2	ZINC000008346004	557782946	/nfs/dbraw/zinc/78/29/46/557782946.db2.gz	UYRNXGGCEQEUJA-ZDUSSCGKSA-N	-1	1	405.545	4.036	50	0		HIAAMM
C[C@@H]1Cn2c(nnc2-c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)S1	ZINC000009526089	557845052	/nfs/dbraw/zinc/84/50/52/557845052.db2.gz	SGBFLIGKAVBUPK-CQSZACIVSA-N	-1	1	422.535	4.393	50	0		HIAAMM
COc1ccccc1Cc1nnc([N-]C(=O)c2c(C)onc2-c2ccccc2)s1	ZINC000009614695	557847061	/nfs/dbraw/zinc/84/70/61/557847061.db2.gz	VUGPIMPASOHVBP-UHFFFAOYSA-N	-1	1	406.467	4.353	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1	ZINC000012799410	558471020	/nfs/dbraw/zinc/47/10/20/558471020.db2.gz	XJUNZMRWWVSLLH-QGZVFWFLSA-N	-1	1	406.507	4.387	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1	ZINC000022412177	558488035	/nfs/dbraw/zinc/48/80/35/558488035.db2.gz	RFXPGURFVDAMON-UHFFFAOYSA-N	-1	1	424.482	4.090	50	0		HIAAMM
CC[C@H](C)c1c([O-])nc(SCC(=O)Nc2ccccc2C)n([C@@H](C)CC)c1=O	ZINC000013957260	558607852	/nfs/dbraw/zinc/60/78/52/558607852.db2.gz	GCLGXIOSTQQXLE-ZFWWWQNUSA-N	-1	1	403.548	4.473	50	0		HIAAMM
O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000024926808	558620968	/nfs/dbraw/zinc/62/09/68/558620968.db2.gz	CUANIZRWIMXWPO-UHFFFAOYSA-N	-1	1	400.887	4.322	50	0		HIAAMM
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1	ZINC000029243768	558712295	/nfs/dbraw/zinc/71/22/95/558712295.db2.gz	DLSMJYLDAYTPIN-KKSFZXQISA-N	-1	1	424.522	4.476	50	0		HIAAMM
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000029975915	558725183	/nfs/dbraw/zinc/72/51/83/558725183.db2.gz	XVZMGJJJKLIENB-UHFFFAOYSA-N	-1	1	415.467	4.210	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)c1	ZINC000015869541	558760184	/nfs/dbraw/zinc/76/01/84/558760184.db2.gz	UMNYXAOKAXTZLC-UHFFFAOYSA-N	-1	1	424.522	4.045	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2OC)s1	ZINC000033007897	558828700	/nfs/dbraw/zinc/82/87/00/558828700.db2.gz	OSHBFEVFVYYPMW-UHFFFAOYSA-N	-1	1	419.528	4.017	50	0		HIAAMM
Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5cccc(F)c5)c4[n-]3)CC2)c1	ZINC000049421032	558849076	/nfs/dbraw/zinc/84/90/76/558849076.db2.gz	AHMVYHYZHDBTMG-UHFFFAOYSA-N	-1	1	420.513	4.426	50	0		HIAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2	ZINC000013696242	558856524	/nfs/dbraw/zinc/85/65/24/558856524.db2.gz	VDXGVNRVVSVCCY-UHFFFAOYSA-N	-1	1	416.499	4.199	50	0		HIAAMM
O=C1C[C@@H](c2cccc(O)c2)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1	ZINC000021784138	558949365	/nfs/dbraw/zinc/94/93/65/558949365.db2.gz	QWFLQRDGXBWZFY-HNNXBMFYSA-N	-1	1	413.886	4.308	50	0		HIAAMM
O=C(Nc1ccccn1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000096602440	558981637	/nfs/dbraw/zinc/98/16/37/558981637.db2.gz	ZWAHAYXWODPQJG-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1)c1ccco1	ZINC000011361051	559060680	/nfs/dbraw/zinc/06/06/80/559060680.db2.gz	KGGJOERRQPDEPF-UHFFFAOYSA-N	-1	1	401.216	4.252	50	0		HIAAMM
COc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1	ZINC000098072938	559126496	/nfs/dbraw/zinc/12/64/96/559126496.db2.gz	FEJHSXVMRZVICR-UHFFFAOYSA-N	-1	1	410.211	4.277	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1	ZINC000005204354	560538490	/nfs/dbraw/zinc/53/84/90/560538490.db2.gz	NKYSFDLJFFEJNE-UHFFFAOYSA-N	-1	1	419.506	4.057	50	0		HIAAMM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)nn1	ZINC000017315649	560708250	/nfs/dbraw/zinc/70/82/50/560708250.db2.gz	JWJQWPWYWPKOPY-UHFFFAOYSA-N	-1	1	409.511	4.222	50	0		HIAAMM
O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N(Cc1ccccc1F)C1CC1	ZINC000018213875	560784820	/nfs/dbraw/zinc/78/48/20/560784820.db2.gz	QIOLDKHYOIFKPN-UHFFFAOYSA-N	-1	1	424.497	4.431	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1	ZINC000102727380	560821977	/nfs/dbraw/zinc/82/19/77/560821977.db2.gz	BTBCIESDFHRXTQ-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1cc(C)c([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)c(C)c1	ZINC000046914271	560879145	/nfs/dbraw/zinc/87/91/45/560879145.db2.gz	CJLXATUBDSOHAP-UHFFFAOYSA-N	-1	1	408.483	4.458	50	0		HIAAMM
CCCn1c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2sc1=O	ZINC000046017528	568423765	/nfs/dbraw/zinc/42/37/65/568423765.db2.gz	NUEFJIIBSKVTIL-UHFFFAOYSA-N	-1	1	404.557	4.472	50	0		HIAAMM
CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421244	568450541	/nfs/dbraw/zinc/45/05/41/568450541.db2.gz	METCDCWIZKWEOF-NVXWUHKLSA-N	-1	1	424.570	4.091	50	0		HIAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)N[C@H](C)CCc1ccccc1	ZINC000023138492	568509072	/nfs/dbraw/zinc/50/90/72/568509072.db2.gz	OQUNZGHWSDJDJW-QGZVFWFLSA-N	-1	1	421.566	4.051	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)cc1	ZINC000033170520	568511716	/nfs/dbraw/zinc/51/17/16/568511716.db2.gz	ZZICRGWUOCDJNR-UHFFFAOYSA-N	-1	1	424.507	4.053	50	0		HIAAMM
Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Br	ZINC000225607356	568656348	/nfs/dbraw/zinc/65/63/48/568656348.db2.gz	MIRWZKWAGMPSFV-UHFFFAOYSA-N	-1	1	420.760	4.373	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3n2C)c1	ZINC000021357172	568688261	/nfs/dbraw/zinc/68/82/61/568688261.db2.gz	LPMDPTNHAHHHNB-UHFFFAOYSA-N	-1	1	405.523	4.468	50	0		HIAAMM
O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc(F)c(Cl)c1)SCC(=O)N2	ZINC000096117105	568696683	/nfs/dbraw/zinc/69/66/83/568696683.db2.gz	UXUJUSFVXXJRKS-HNNXBMFYSA-N	-1	1	413.927	4.224	50	0		HIAAMM
CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)O[C@@H](C)C2	ZINC000029129537	568820952	/nfs/dbraw/zinc/82/09/52/568820952.db2.gz	AZNNUJJUTPCLHT-AWEZNQCLSA-N	-1	1	424.526	4.277	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C)CC2)c1	ZINC000012526081	568843015	/nfs/dbraw/zinc/84/30/15/568843015.db2.gz	GUTUROPFZKHFND-UHFFFAOYSA-N	-1	1	400.544	4.413	50	0		HIAAMM
Cc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000003533143	568861771	/nfs/dbraw/zinc/86/17/71/568861771.db2.gz	QSNYRFDPDDGJAO-UHFFFAOYSA-N	-1	1	418.474	4.080	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)OCCC(C)C)ccc2C)c1	ZINC000058130945	568890067	/nfs/dbraw/zinc/89/00/67/568890067.db2.gz	JXVQDYWQYNWWIJ-SFHVURJKSA-N	-1	1	418.559	4.494	50	0		HIAAMM
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(Br)ccc1[O-]	ZINC000031329955	568923970	/nfs/dbraw/zinc/92/39/70/568923970.db2.gz	XNVMGCVNBKGSRU-UHFFFAOYSA-N	-1	1	404.182	4.326	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2F)c1	ZINC000012748963	568935342	/nfs/dbraw/zinc/93/53/42/568935342.db2.gz	WRHQLCCLSLVMPD-UHFFFAOYSA-N	-1	1	412.486	4.173	50	0		HIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1	ZINC000004036363	568935619	/nfs/dbraw/zinc/93/56/19/568935619.db2.gz	RHQXSVBLEFFPAB-UHFFFAOYSA-N	-1	1	409.492	4.362	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCc2ccccc2C1	ZINC000012767612	568949388	/nfs/dbraw/zinc/94/93/88/568949388.db2.gz	ABGTWRFJYZKITI-UHFFFAOYSA-N	-1	1	424.497	4.133	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccsc3)cc2)c1C	ZINC000008172593	568979984	/nfs/dbraw/zinc/97/99/84/568979984.db2.gz	PABUWAWXSCGYEH-UHFFFAOYSA-N	-1	1	414.552	4.438	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)cc1	ZINC000015733844	568983371	/nfs/dbraw/zinc/98/33/71/568983371.db2.gz	VHIUGWIYYWURGB-UHFFFAOYSA-N	-1	1	412.511	4.449	50	0		HIAAMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1	ZINC000085664768	569006667	/nfs/dbraw/zinc/00/66/67/569006667.db2.gz	MSGIVTXUFLHVHE-UHFFFAOYSA-N	-1	1	417.434	4.357	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1	ZINC000015870335	569017280	/nfs/dbraw/zinc/01/72/80/569017280.db2.gz	VQEFPYYXZODJMS-UHFFFAOYSA-N	-1	1	403.529	4.254	50	0		HIAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)c1	ZINC000064747771	569089032	/nfs/dbraw/zinc/08/90/32/569089032.db2.gz	LLYWAEFJNFYTNN-UHFFFAOYSA-N	-1	1	419.462	4.407	50	0		HIAAMM
Cc1ccc([O-])c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1	ZINC000006683913	569089324	/nfs/dbraw/zinc/08/93/24/569089324.db2.gz	KHNUUFYLHCRNIH-UHFFFAOYSA-N	-1	1	400.793	4.049	50	0		HIAAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCC1	ZINC000064861977	569110507	/nfs/dbraw/zinc/11/05/07/569110507.db2.gz	KHTLFGNIJIVZCA-UHFFFAOYSA-N	-1	1	413.543	4.119	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)n(C)c2C)cc1	ZINC000065009105	569153291	/nfs/dbraw/zinc/15/32/91/569153291.db2.gz	OSWCBXIBQAVOTH-UHFFFAOYSA-N	-1	1	405.545	4.273	50	0		HIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc1	ZINC000006887630	569170790	/nfs/dbraw/zinc/17/07/90/569170790.db2.gz	LHOUIHSOKXTJSF-UHFFFAOYSA-N	-1	1	412.511	4.414	50	0	aggregator	HIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2CC)cc1	ZINC000006887823	569171412	/nfs/dbraw/zinc/17/14/12/569171412.db2.gz	UIROFZSMXUPQDR-UHFFFAOYSA-N	-1	1	414.483	4.190	50	0		HIAAMM
CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2Br)c1	ZINC000065112441	569180562	/nfs/dbraw/zinc/18/05/62/569180562.db2.gz	BELWSTPDJLOPJW-UHFFFAOYSA-N	-1	1	412.334	4.195	50	0		HIAAMM
Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccccc2Br)s1	ZINC000065183528	569190968	/nfs/dbraw/zinc/19/09/68/569190968.db2.gz	UWYTYALGEAZGAA-UHFFFAOYSA-N	-1	1	414.350	4.391	50	0		HIAAMM
CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C1=O	ZINC000065241638	569201751	/nfs/dbraw/zinc/20/17/51/569201751.db2.gz	JUIRGDSIWBNWQO-UHFFFAOYSA-N	-1	1	409.467	4.045	50	0		HIAAMM
COc1ccccc1-c1nc2c(c(=O)[n-]1)Cc1cc(Br)cc(OC)c1O2	ZINC000009908788	569251726	/nfs/dbraw/zinc/25/17/26/569251726.db2.gz	ADVOMRRVABXXDZ-UHFFFAOYSA-N	-1	1	415.243	4.325	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2c(F)cccc2Cl)cc1	ZINC000014244987	569259195	/nfs/dbraw/zinc/25/91/95/569259195.db2.gz	UODIKBKDMVHFCK-UHFFFAOYSA-N	-1	1	404.898	4.367	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1	ZINC000016954582	569268578	/nfs/dbraw/zinc/26/85/78/569268578.db2.gz	LMHXWQVXCBDLPL-UHFFFAOYSA-N	-1	1	422.506	4.089	50	0		HIAAMM
CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252485374	569289189	/nfs/dbraw/zinc/28/91/89/569289189.db2.gz	GSPCANKEUSUJEJ-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000136652093	569359260	/nfs/dbraw/zinc/35/92/60/569359260.db2.gz	CYSKHBCHNLYEME-VSKRKVRLSA-N	-1	1	402.425	4.185	50	0		HIAAMM
O=c1cc([O-])[nH]c2c1sc1nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12	ZINC000018045728	569383169	/nfs/dbraw/zinc/38/31/69/569383169.db2.gz	OQWILSGBGYEYES-UHFFFAOYSA-N	-1	1	420.368	4.300	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(Cl)c1F	ZINC000067298695	571072690	/nfs/dbraw/zinc/07/26/90/571072690.db2.gz	SUILPOZWUPMWLI-GRPLCDDYSA-N	-1	1	416.836	4.072	50	0		HIAAMM
Cc1ccc(Cl)cc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000008690703	571101991	/nfs/dbraw/zinc/10/19/91/571101991.db2.gz	ZMUCMAJDAVMXHA-SFHVURJKSA-N	-1	1	420.943	4.368	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCCC3)c2)cc1	ZINC000040023409	571139421	/nfs/dbraw/zinc/13/94/21/571139421.db2.gz	JCBAALDIKFBRPU-UHFFFAOYSA-N	-1	1	416.543	4.291	50	0		HIAAMM
O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21	ZINC000008961204	571189372	/nfs/dbraw/zinc/18/93/72/571189372.db2.gz	OKNSKNRZTJJMIJ-UHFFFAOYSA-N	-1	1	400.843	4.499	50	0		HIAAMM
Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3cccc(F)c3)ccc1O2	ZINC000008961478	571189995	/nfs/dbraw/zinc/18/99/95/571189995.db2.gz	WGNZUYIAARTGLD-UHFFFAOYSA-N	-1	1	412.442	4.317	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1	ZINC000009168167	571233085	/nfs/dbraw/zinc/23/30/85/571233085.db2.gz	KTDRRSWDQXQEDP-UHFFFAOYSA-N	-1	1	416.543	4.203	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2OCC(C)(C)C1=O	ZINC000009167582	571233203	/nfs/dbraw/zinc/23/32/03/571233203.db2.gz	DYKJPMKDRXYEEV-UHFFFAOYSA-N	-1	1	416.543	4.266	50	0		HIAAMM
COc1ccccc1NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000009486450	571262425	/nfs/dbraw/zinc/26/24/25/571262425.db2.gz	XKDJGUJWOHAUPV-UHFFFAOYSA-N	-1	1	417.417	4.192	50	0		HIAAMM
COc1ccccc1NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000009486450	571262426	/nfs/dbraw/zinc/26/24/26/571262426.db2.gz	XKDJGUJWOHAUPV-UHFFFAOYSA-N	-1	1	417.417	4.192	50	0		HIAAMM
Cc1nnsc1C(=O)[N-]c1nnc(SCc2cccc(C(F)(F)F)c2)s1	ZINC000070634956	571270312	/nfs/dbraw/zinc/27/03/12/571270312.db2.gz	ONZXFAUTDAUAGV-UHFFFAOYSA-N	-1	1	417.463	4.261	50	0		HIAAMM
Cc1cccc(OCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)c1	ZINC000009640775	571275800	/nfs/dbraw/zinc/27/58/00/571275800.db2.gz	MTURQFPNODMJPP-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc2cccnc21	ZINC000009904279	571289910	/nfs/dbraw/zinc/28/99/10/571289910.db2.gz	ZXRPCZIOPNDSOI-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
COc1ccc(CCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000032930140	523926514	/nfs/dbraw/zinc/92/65/14/523926514.db2.gz	MDIMIGSOBMHZKS-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(Br)ccc3C)c2)n1	ZINC000032915874	524494219	/nfs/dbraw/zinc/49/42/19/524494219.db2.gz	ANOFRGYVNIZREM-UHFFFAOYSA-N	-1	1	420.332	4.361	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C	ZINC000020554855	525613117	/nfs/dbraw/zinc/61/31/17/525613117.db2.gz	LHJAXYVKCRDNLC-UHFFFAOYSA-N	-1	1	408.527	4.161	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c1	ZINC000032943894	526140307	/nfs/dbraw/zinc/14/03/07/526140307.db2.gz	KIQNBGLZDRANSE-GFCCVEGCSA-N	-1	1	408.570	4.056	50	0		HIAAMM
O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)c(Cl)c1	ZINC000032776756	527254071	/nfs/dbraw/zinc/25/40/71/527254071.db2.gz	PYYOMQUQYIYASQ-CQSZACIVSA-N	-1	1	402.299	4.352	50	0		HIAAMM
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000000991270	557134749	/nfs/dbraw/zinc/13/47/49/557134749.db2.gz	FFLXUMCMWNUNIA-LIKPIUCQSA-N	-1	1	401.849	4.442	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1	ZINC000001006536	557141109	/nfs/dbraw/zinc/14/11/09/557141109.db2.gz	XUKYFFNEAOLVRC-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)c1ccc(F)cc1	ZINC000001133856	557200014	/nfs/dbraw/zinc/20/00/14/557200014.db2.gz	IMKMOUPUAMYGOI-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1	ZINC000001196764	557238009	/nfs/dbraw/zinc/23/80/09/557238009.db2.gz	BVRXWKJRUUDFLB-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CCc1c(C)[n-]n(-c2nc(-c3ccc(I)cc3)cs2)c1=O	ZINC000001219025	557247735	/nfs/dbraw/zinc/24/77/35/557247735.db2.gz	DWNNLYZDPQMWGK-LBPRGKRZSA-N	-1	1	411.268	4.163	50	0		HIAAMM
O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccc1[O-]	ZINC000003947792	557503533	/nfs/dbraw/zinc/50/35/33/557503533.db2.gz	UFOUABRZSDGGAZ-UHFFFAOYSA-N	-1	1	406.825	4.094	50	0	in-vitro	HIAAMM
C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccn1	ZINC000010557677	557539704	/nfs/dbraw/zinc/53/97/04/557539704.db2.gz	BLJHWZJECFGAJF-AWEZNQCLSA-N	-1	1	415.902	4.027	50	0		HIAAMM
COc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCc1ccc(F)cc1	ZINC000005447779	557654626	/nfs/dbraw/zinc/65/46/26/557654626.db2.gz	DESWCCPGDMZKMJ-UHFFFAOYSA-N	-1	1	408.886	4.373	50	0		HIAAMM
CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1	ZINC000006269985	557697181	/nfs/dbraw/zinc/69/71/81/557697181.db2.gz	YJVFYFRIYWVLNJ-UHFFFAOYSA-N	-1	1	408.479	4.251	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2	ZINC000007990970	557769122	/nfs/dbraw/zinc/76/91/22/557769122.db2.gz	OLIDYWBNIXBEDE-AWEZNQCLSA-N	-1	1	405.545	4.118	50	0		HIAAMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[n-]3)nc12	ZINC000009936670	557851950	/nfs/dbraw/zinc/85/19/50/557851950.db2.gz	NFEOFZPFUNWZLT-UHFFFAOYSA-N	-1	1	415.497	4.371	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000012017313	558309149	/nfs/dbraw/zinc/30/91/49/558309149.db2.gz	VDZXUDRJEAQYRU-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000020275048	558353713	/nfs/dbraw/zinc/35/37/13/558353713.db2.gz	JZGDXSXJZLYXDE-UHFFFAOYSA-N	-1	1	413.524	4.305	50	0		HIAAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000020440489	558363465	/nfs/dbraw/zinc/36/34/65/558363465.db2.gz	QDPUASXKIFAZJE-QGZVFWFLSA-N	-1	1	416.271	4.221	50	0		HIAAMM
Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1C	ZINC000012630318	558441607	/nfs/dbraw/zinc/44/16/07/558441607.db2.gz	OJFATAMBIHZNAB-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1cccc(-c2ccc(CO)o2)c1	ZINC000013624817	558550734	/nfs/dbraw/zinc/55/07/34/558550734.db2.gz	ORCWSQRYQZATOW-UHFFFAOYSA-N	-1	1	419.433	4.131	50	0		HIAAMM
Cc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)ccc1Br	ZINC000010916930	558562458	/nfs/dbraw/zinc/56/24/58/558562458.db2.gz	JGTDJYNWUJSGKY-UHFFFAOYSA-N	-1	1	409.334	4.379	50	0		HIAAMM
CC[C@@H](C)c1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n([C@@H](C)CC)c1=O	ZINC000013957249	558607809	/nfs/dbraw/zinc/60/78/09/558607809.db2.gz	KLRSUPASYZEQSH-CABCVRRESA-N	-1	1	403.548	4.473	50	0		HIAAMM
COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc2[n-]c(-c3ccco3)nc(=O)c2c1C	ZINC000024769178	558611912	/nfs/dbraw/zinc/61/19/12/558611912.db2.gz	MWQWMCYNIALGSY-CYBMUJFWSA-N	-1	1	423.494	4.361	50	0		HIAAMM
COc1cccc(C=C2SC(=O)[N-]C2=O)c1OCCCOc1cc(C)cc(C)c1	ZINC000015857175	558757194	/nfs/dbraw/zinc/75/71/94/558757194.db2.gz	JBHQKWBKBVPTIC-UYRXBGFRSA-N	-1	1	413.495	4.484	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1	ZINC000015869517	558760083	/nfs/dbraw/zinc/76/00/83/558760083.db2.gz	JFPWUJHFBWMXEA-QGZVFWFLSA-N	-1	1	400.544	4.051	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1	ZINC000002850516	558774010	/nfs/dbraw/zinc/77/40/10/558774010.db2.gz	WZHKKANJEUAHGR-UHFFFAOYSA-N	-1	1	422.506	4.089	50	0		HIAAMM
CCc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3[O-])n2C)cc1	ZINC000001160334	558775506	/nfs/dbraw/zinc/77/55/06/558775506.db2.gz	ZLRCQBWQXXIZBD-UHFFFAOYSA-N	-1	1	402.907	4.134	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)N1CCCC1	ZINC000016651693	558798013	/nfs/dbraw/zinc/79/80/13/558798013.db2.gz	OBKUMOMHOYXJPL-UHFFFAOYSA-N	-1	1	404.557	4.062	50	0		HIAAMM
CCc1ccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)cc1	ZINC000039383668	558820635	/nfs/dbraw/zinc/82/06/35/558820635.db2.gz	SSGCVAIJHMKKMP-UHFFFAOYSA-N	-1	1	404.518	4.078	50	0		HIAAMM
O=S(=O)([N-]CCc1cccs1)c1c(Cl)cc(Br)cc1Cl	ZINC000033047998	558883896	/nfs/dbraw/zinc/88/38/96/558883896.db2.gz	XNHHQUVGUDZUFP-UHFFFAOYSA-N	-1	1	415.161	4.338	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)c1	ZINC000033170532	558903724	/nfs/dbraw/zinc/90/37/24/558903724.db2.gz	HMQDDQFPZXXWTN-UHFFFAOYSA-N	-1	1	424.507	4.053	50	0		HIAAMM
Cc1cc(C)c(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)c(C)c1	ZINC000023138088	559018524	/nfs/dbraw/zinc/01/85/24/559018524.db2.gz	CGFLYMCYVGZXPK-UHFFFAOYSA-N	-1	1	411.502	4.308	50	0		HIAAMM
Cc1ccccc1OCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000014640469	559171621	/nfs/dbraw/zinc/17/16/21/559171621.db2.gz	ZZFOYBALORYKCY-UHFFFAOYSA-N	-1	1	411.479	4.032	50	0		HIAAMM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000135885245	559276281	/nfs/dbraw/zinc/27/62/81/559276281.db2.gz	WSIPDBWUZFVXNM-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1	ZINC000137680683	559280693	/nfs/dbraw/zinc/28/06/93/559280693.db2.gz	ZJGYCTPYSNYSNS-BHDDXSALSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CC(C)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CC3)cc1	ZINC000079111602	560541317	/nfs/dbraw/zinc/54/13/17/560541317.db2.gz	AHPCTKZKWUCUJZ-UHFFFAOYSA-N	-1	1	423.332	4.258	50	0		HIAAMM
Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n1	ZINC000010555905	560770491	/nfs/dbraw/zinc/77/04/91/560770491.db2.gz	LPPVHCLKDPZUIC-UHFFFAOYSA-N	-1	1	401.513	4.121	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)NC5CCCCC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827658	560802488	/nfs/dbraw/zinc/80/24/88/560802488.db2.gz	ZHSPSGYZYONGHM-UHFFFAOYSA-N	-1	1	414.509	4.444	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCCC[C@@H]5C)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827833	560802688	/nfs/dbraw/zinc/80/26/88/560802688.db2.gz	MDSNINONGGOTOR-KRWDZBQOSA-N	-1	1	414.509	4.450	50	0		HIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000012198564	560892021	/nfs/dbraw/zinc/89/20/21/560892021.db2.gz	VXXFIELPMJFLLU-UHFFFAOYSA-N	-1	1	418.824	4.286	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)o1	ZINC000046085334	568427984	/nfs/dbraw/zinc/42/79/84/568427984.db2.gz	XUKMKGMLANSUPV-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1nc(C)c(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)s1	ZINC000048312229	568436237	/nfs/dbraw/zinc/43/62/37/568436237.db2.gz	IUWCRCHCEXCPLC-UHFFFAOYSA-N	-1	1	423.466	4.091	50	0		HIAAMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2CC)c1	ZINC000020978589	568654133	/nfs/dbraw/zinc/65/41/33/568654133.db2.gz	IEMJDNOTZMKNFU-UHFFFAOYSA-N	-1	1	414.483	4.190	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1	ZINC000226918576	568698841	/nfs/dbraw/zinc/69/88/41/568698841.db2.gz	ZJGYCTPYSNYSNS-YPAWHYETSA-N	-1	1	402.425	4.185	50	0		HIAAMM
O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccc2n[n-]c(=S)n2c1	ZINC000241317013	568731076	/nfs/dbraw/zinc/73/10/76/568731076.db2.gz	LXABDVDYEBBKAQ-MRXNPFEDSA-N	-1	1	400.916	4.252	50	0		HIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1	ZINC000096323570	568732225	/nfs/dbraw/zinc/73/22/25/568732225.db2.gz	PCZKKLGFRNAEHP-UHFFFAOYSA-N	-1	1	405.501	4.088	50	0		HIAAMM
CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(Br)ccc1[O-])CC2	ZINC000028817682	568808911	/nfs/dbraw/zinc/80/89/11/568808911.db2.gz	DAXZKIPHETVNCS-UHFFFAOYSA-N	-1	1	420.303	4.151	50	0		HIAAMM
Cc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccc1F	ZINC000012507822	568839941	/nfs/dbraw/zinc/83/99/41/568839941.db2.gz	KCLWOSUAXKJWET-UHFFFAOYSA-N	-1	1	416.449	4.004	50	0		HIAAMM
O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccco1	ZINC000012536051	568845409	/nfs/dbraw/zinc/84/54/09/568845409.db2.gz	FXJQQHJXFJBPMG-UHFFFAOYSA-N	-1	1	410.373	4.352	50	0		HIAAMM
COc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(OC)c1	ZINC000003315432	568879234	/nfs/dbraw/zinc/87/92/34/568879234.db2.gz	LGIJFAWWGNCKSM-UHFFFAOYSA-N	-1	1	422.462	4.026	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(F)cc2)c1	ZINC000012736316	568925464	/nfs/dbraw/zinc/92/54/64/568925464.db2.gz	FYIYFRVUFSDJBZ-UHFFFAOYSA-N	-1	1	412.486	4.173	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1C	ZINC000004036338	568935558	/nfs/dbraw/zinc/93/55/58/568935558.db2.gz	LAXAYJDOBFCHLW-UHFFFAOYSA-N	-1	1	411.508	4.476	50	0		HIAAMM
Cc1ccc(OCCN(C)C(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)cc1	ZINC000012752554	568941715	/nfs/dbraw/zinc/94/17/15/568941715.db2.gz	MLBKNXRAMYDWMB-UHFFFAOYSA-N	-1	1	410.543	4.152	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1	ZINC000012757361	568943013	/nfs/dbraw/zinc/94/30/13/568943013.db2.gz	CBCXNLONMQKAHK-UHFFFAOYSA-N	-1	1	416.934	4.434	50	0		HIAAMM
COc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)cc1	ZINC000008186414	568980509	/nfs/dbraw/zinc/98/05/09/568980509.db2.gz	XMRSQHURWVFKST-AWEZNQCLSA-N	-1	1	409.294	4.419	50	0		HIAAMM
CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000008289565	568987886	/nfs/dbraw/zinc/98/78/86/568987886.db2.gz	HZZUOTYDYMMIJZ-UHFFFAOYSA-N	-1	1	401.315	4.324	50	0		HIAAMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1	ZINC000085664776	569006713	/nfs/dbraw/zinc/00/67/13/569006713.db2.gz	CGQUSLSHSVCFFW-UHFFFAOYSA-N	-1	1	417.434	4.275	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1	ZINC000012905081	569020916	/nfs/dbraw/zinc/02/09/16/569020916.db2.gz	XAHXZNZRNBTZQI-UHFFFAOYSA-N	-1	1	420.897	4.265	50	0		HIAAMM
COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000006623454	569075174	/nfs/dbraw/zinc/07/51/74/569075174.db2.gz	KYDIYSUHBOCCRP-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
O=C(CSc1nc2ccccc2n1CCc1ccccc1)[N-]C(=O)c1ccccc1	ZINC000006652503	569081831	/nfs/dbraw/zinc/08/18/31/569081831.db2.gz	JTHFQOKVIXLZGM-UHFFFAOYSA-N	-1	1	415.518	4.328	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc21	ZINC000064951962	569132581	/nfs/dbraw/zinc/13/25/81/569132581.db2.gz	NBRFDBFKLSHAOB-UHFFFAOYSA-N	-1	1	410.948	4.298	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc21	ZINC000064952104	569132590	/nfs/dbraw/zinc/13/25/90/569132590.db2.gz	YOTVNKJXVPJXMT-UHFFFAOYSA-N	-1	1	404.557	4.460	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1	ZINC000065021281	569154453	/nfs/dbraw/zinc/15/44/53/569154453.db2.gz	OKLOPEAJKIVDHZ-UHFFFAOYSA-N	-1	1	416.568	4.244	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000036398406	569171590	/nfs/dbraw/zinc/17/15/90/569171590.db2.gz	IRFHPRWXUKHEEN-UHFFFAOYSA-N	-1	1	409.511	4.114	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000065115808	569179746	/nfs/dbraw/zinc/17/97/46/569179746.db2.gz	WKSLQSFWWLLSRX-UHFFFAOYSA-N	-1	1	413.499	4.334	50	0		HIAAMM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000036614175	569209540	/nfs/dbraw/zinc/20/95/40/569209540.db2.gz	UUEFULCMHXWULW-UHFFFAOYSA-N	-1	1	423.341	4.071	50	0		HIAAMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cs1	ZINC000007109256	569221465	/nfs/dbraw/zinc/22/14/65/569221465.db2.gz	NBBWWMWAILPSEZ-UHFFFAOYSA-N	-1	1	402.497	4.081	50	0		HIAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cc(Cl)ccc2Cl)n1	ZINC000007420280	569237561	/nfs/dbraw/zinc/23/75/61/569237561.db2.gz	ASFIAURVVAJFQD-UHFFFAOYSA-N	-1	1	406.273	4.188	50	0		HIAAMM
O=C(CCn1c(=S)[n-]nc1-c1ccc(F)cc1)Nc1nc2c(s1)CCCC2	ZINC000014250883	569259111	/nfs/dbraw/zinc/25/91/11/569259111.db2.gz	GMWGCLFKPJTOGW-UHFFFAOYSA-N	-1	1	403.508	4.111	50	0		HIAAMM
Cn1ccnc1-c1cc([N-]S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)[nH]n1	ZINC000170683617	569298618	/nfs/dbraw/zinc/29/86/18/569298618.db2.gz	NXZVUEHQHXDEDO-UHFFFAOYSA-N	-1	1	422.297	4.071	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21	ZINC000253405921	569365978	/nfs/dbraw/zinc/36/59/78/569365978.db2.gz	IOMNXHICEHGRGX-HXUWFJFHSA-N	-1	1	402.450	4.025	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1	ZINC000013057889	569408229	/nfs/dbraw/zinc/40/82/29/569408229.db2.gz	FDQYRVWXADAYMJ-UHFFFAOYSA-N	-1	1	420.943	4.441	50	0		HIAAMM
Cc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1	ZINC000067298793	571072517	/nfs/dbraw/zinc/07/25/17/571072517.db2.gz	VJTXWZZYHLFMNQ-QEQSUZCXSA-N	-1	1	412.873	4.241	50	0		HIAAMM
CC(C)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1	ZINC000067298509	571072559	/nfs/dbraw/zinc/07/25/59/571072559.db2.gz	CCOWXMYLZCDQFS-ZLWNKQBNSA-N	-1	1	406.482	4.403	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1F	ZINC000067298241	571072591	/nfs/dbraw/zinc/07/25/91/571072591.db2.gz	GPBOKUZDRGIYCL-NMWGTECJSA-N	-1	1	411.414	4.227	50	0		HIAAMM
CC(C)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c1	ZINC000067298482	571072616	/nfs/dbraw/zinc/07/26/16/571072616.db2.gz	ZUMNYXWLEUKMJF-FDHBPBSMSA-N	-1	1	406.482	4.403	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)cc1F	ZINC000067299351	571073251	/nfs/dbraw/zinc/07/32/51/571073251.db2.gz	KGTKEMQCNARDGG-LVWGJNHUSA-N	-1	1	408.385	4.042	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1	ZINC000008961471	571190177	/nfs/dbraw/zinc/19/01/77/571190177.db2.gz	RULDXLZPJCTRPA-UHFFFAOYSA-N	-1	1	408.479	4.487	50	0		HIAAMM
CN1c2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2OCC(C)(C)C1=O	ZINC000009170097	571233652	/nfs/dbraw/zinc/23/36/52/571233652.db2.gz	PMWQUWVRZZTAJA-UHFFFAOYSA-N	-1	1	410.495	4.022	50	0		HIAAMM
CCN1c2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc2OCC(C)(C)C1=O	ZINC000009170707	571233817	/nfs/dbraw/zinc/23/38/17/571233817.db2.gz	XXSMOUBLPQSTGA-UHFFFAOYSA-N	-1	1	424.522	4.412	50	0		HIAAMM
O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009410124	571255749	/nfs/dbraw/zinc/25/57/49/571255749.db2.gz	OPLYWLAJUSUGSW-OAQYLSRUSA-N	-1	1	423.472	4.490	50	0		HIAAMM
COc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)sc2c1	ZINC000009553927	571268304	/nfs/dbraw/zinc/26/83/04/571268304.db2.gz	XWGHTLQSLSOQHZ-UHFFFAOYSA-N	-1	1	424.507	4.198	50	0		HIAAMM
CCc1ccc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)cc1	ZINC000009641420	571275913	/nfs/dbraw/zinc/27/59/13/571275913.db2.gz	HPCGLRDECMADSH-UHFFFAOYSA-N	-1	1	412.540	4.270	50	0		HIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1)[nH]c1c2C(=O)CCC1	ZINC000009685933	571280002	/nfs/dbraw/zinc/28/00/02/571280002.db2.gz	PBMHHMSTHVMANP-UHFFFAOYSA-N	-1	1	410.495	4.253	50	0		HIAAMM
CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)s2)on1	ZINC000009688987	571280211	/nfs/dbraw/zinc/28/02/11/571280211.db2.gz	AUADYIUIKYKNJN-UHFFFAOYSA-N	-1	1	412.876	4.034	50	0		HIAAMM
O=S(=O)([N-]c1cccc(/C=C\c2ccccn2)c1)c1ccc2c(c1)OCCCO2	ZINC000096742816	852554012	/nfs/dbraw/zinc/55/40/12/852554012.db2.gz	ULLTYHGEGLFQJI-HJWRWDBZSA-N	-1	1	408.479	4.214	50	0		HIAAMM
COc1c(C=NNC(=O)c2cc(Br)ccc2[O-])sc2ccccc21	ZINC000254746246	854214184	/nfs/dbraw/zinc/21/41/84/854214184.db2.gz	YGORGYCOJSXYAW-UHFFFAOYSA-N	-1	1	405.273	4.142	50	0		HIAAMM
O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1	ZINC000003347831	132265044	/nfs/dbraw/zinc/26/50/44/132265044.db2.gz	FMPIWFHOGXINPJ-UHFFFAOYSA-N	-1	1	402.903	4.131	50	0		HIAAMM
O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21	ZINC000005136520	132302593	/nfs/dbraw/zinc/30/25/93/132302593.db2.gz	BBRJJXRXQAQHKG-UHFFFAOYSA-N	-1	1	416.886	4.327	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1	ZINC000008609813	132331578	/nfs/dbraw/zinc/33/15/78/132331578.db2.gz	BUQYIAMDXXZPFX-UHFFFAOYSA-N	-1	1	408.527	4.243	50	0	aggregator	HIAAMM
CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000032930143	519711238	/nfs/dbraw/zinc/71/12/38/519711238.db2.gz	AKXLLFRTZJFXER-UHFFFAOYSA-N	-1	1	423.494	4.007	50	0		HIAAMM
CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1	ZINC000032585937	519837876	/nfs/dbraw/zinc/83/78/76/519837876.db2.gz	UUAYVIXCFZWILD-UHFFFAOYSA-N	-1	1	404.307	4.133	50	0		HIAAMM
CCOc1ccccc1-c1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)o1	ZINC000045924734	521440110	/nfs/dbraw/zinc/44/01/10/521440110.db2.gz	NQJOPSMUAYLODC-UHFFFAOYSA-N	-1	1	411.405	4.443	50	0		HIAAMM
CN1C(=O)c2cccc3cc(S(=O)(=O)[N-]c4ccc5ccccc5c4)cc(c32)C1=O	ZINC000041124912	523736932	/nfs/dbraw/zinc/73/69/32/523736932.db2.gz	SHXFNSAZSQCFCC-UHFFFAOYSA-N	-1	1	416.458	4.020	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3OC)nc2)cc1	ZINC000032915877	525082071	/nfs/dbraw/zinc/08/20/71/525082071.db2.gz	CZQLLJLVYSHVIY-UHFFFAOYSA-N	-1	1	400.456	4.000	50	0		HIAAMM
O=C(Cc1ccccc1F)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000032809382	527290887	/nfs/dbraw/zinc/29/08/87/527290887.db2.gz	GHBRYBREODQJLI-UHFFFAOYSA-N	-1	1	418.877	4.461	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccncc2)c(OC)c1	ZINC000000876755	557108306	/nfs/dbraw/zinc/10/83/06/557108306.db2.gz	UZMVBZOUKDWYMS-RWEWTDSWSA-N	-1	1	417.421	4.035	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1	ZINC000000991957	557135365	/nfs/dbraw/zinc/13/53/65/557135365.db2.gz	KQINOEXPQWEJAM-UHFFFAOYSA-N	-1	1	403.301	4.236	50	0		HIAAMM
O=C(OCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000992926	557135728	/nfs/dbraw/zinc/13/57/28/557135728.db2.gz	UQKWFHRNNUDVHO-UHFFFAOYSA-N	-1	1	401.871	4.498	50	0		HIAAMM
O=C(NCc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)s1)c1ccccc1	ZINC000001040353	557152896	/nfs/dbraw/zinc/15/28/96/557152896.db2.gz	FQZWTAHMMYYNCW-UHFFFAOYSA-N	-1	1	406.916	4.132	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2C)c1	ZINC000001077798	557174645	/nfs/dbraw/zinc/17/46/45/557174645.db2.gz	WSCVHNRVARFXGU-UHFFFAOYSA-N	-1	1	408.523	4.343	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1	ZINC000001118463	557189055	/nfs/dbraw/zinc/18/90/55/557189055.db2.gz	SJCZOCHVWYAQMU-UHFFFAOYSA-N	-1	1	422.506	4.294	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1	ZINC000001140313	557203498	/nfs/dbraw/zinc/20/34/98/557203498.db2.gz	YHRPTISGYLIGHR-UHFFFAOYSA-N	-1	1	410.495	4.122	50	0		HIAAMM
O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000001182871	557232069	/nfs/dbraw/zinc/23/20/69/557232069.db2.gz	XSIVKXMQLBJDKU-UHFFFAOYSA-N	-1	1	403.463	4.256	50	0		HIAAMM
CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000006269949	557697246	/nfs/dbraw/zinc/69/72/46/557697246.db2.gz	UIAPZOXBFUCXTG-UHFFFAOYSA-N	-1	1	423.494	4.007	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346000	557782768	/nfs/dbraw/zinc/78/27/68/557782768.db2.gz	MCJPOHTUFNAWKW-INIZCTEOSA-N	-1	1	417.506	4.194	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1	ZINC000012794040	558467475	/nfs/dbraw/zinc/46/74/75/558467475.db2.gz	HMCPXXDHVLFQDE-ZDUSSCGKSA-N	-1	1	402.470	4.462	50	0		HIAAMM
NC(=O)c1cc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)ccc1[O-]	ZINC000025317923	558637745	/nfs/dbraw/zinc/63/77/45/558637745.db2.gz	LMJKQZGOQSFAKP-UHFFFAOYSA-N	-1	1	405.435	4.127	50	0		HIAAMM
C[C@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[n-]c3=S)CCC5)csc2C1	ZINC000017091195	558819761	/nfs/dbraw/zinc/81/97/61/558819761.db2.gz	MFCOPWNRLZXWFO-VIFPVBQESA-N	-1	1	417.581	4.179	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccn3)CC2)[n-]c2c(-c3cccc(Cl)c3)csc21	ZINC000048990040	558847622	/nfs/dbraw/zinc/84/76/22/558847622.db2.gz	YYCAOQKFQSWNLX-UHFFFAOYSA-N	-1	1	423.929	4.027	50	0		HIAAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1	ZINC000022195065	558864763	/nfs/dbraw/zinc/86/47/63/558864763.db2.gz	SIIMVYQIXRRVMK-LBPRGKRZSA-N	-1	1	407.845	4.027	50	0		HIAAMM
Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000033116551	558877663	/nfs/dbraw/zinc/87/76/63/558877663.db2.gz	UVBSCNBNLJJOEE-UHFFFAOYSA-N	-1	1	409.486	4.298	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000136549853	559277271	/nfs/dbraw/zinc/27/72/71/559277271.db2.gz	IMBZULOOGXFZSO-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1	ZINC000014867716	560879790	/nfs/dbraw/zinc/87/97/90/560879790.db2.gz	IDFYEFQCBVPURA-UHFFFAOYSA-N	-1	1	407.557	4.247	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1	ZINC000012216165	560892330	/nfs/dbraw/zinc/89/23/30/560892330.db2.gz	SVWKJJSWVDTDHX-UHFFFAOYSA-N	-1	1	412.536	4.056	50	0		HIAAMM
CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccsc1	ZINC000048312205	568437967	/nfs/dbraw/zinc/43/79/67/568437967.db2.gz	XZHUDDULCMZROS-CYBMUJFWSA-N	-1	1	413.779	4.290	50	0		HIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1C)[nH]c1c2C(=O)CCC1	ZINC000020990552	568655825	/nfs/dbraw/zinc/65/58/25/568655825.db2.gz	FFTVQHZENABDOB-UHFFFAOYSA-N	-1	1	400.475	4.498	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc(OC)c1	ZINC000021033541	568659481	/nfs/dbraw/zinc/65/94/81/568659481.db2.gz	HBUUAFOYMJJDKS-UHFFFAOYSA-N	-1	1	400.456	4.037	50	0		HIAAMM
CC(C)n1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114026	568693504	/nfs/dbraw/zinc/69/35/04/568693504.db2.gz	WOQDCKOZHSXAGU-OAHLLOKOSA-N	-1	1	416.433	4.384	50	0		HIAAMM
CC(C)n1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096114026	568693508	/nfs/dbraw/zinc/69/35/08/568693508.db2.gz	WOQDCKOZHSXAGU-OAHLLOKOSA-N	-1	1	416.433	4.384	50	0		HIAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCCSCc1ccccc1F	ZINC000096191223	568703332	/nfs/dbraw/zinc/70/33/32/568703332.db2.gz	HUZRQECRBLNMRD-WOJGMQOQSA-N	-1	1	419.499	4.470	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000238900278	568727120	/nfs/dbraw/zinc/72/71/20/568727120.db2.gz	IMBZULOOGXFZSO-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21	ZINC000000944072	568753578	/nfs/dbraw/zinc/75/35/78/568753578.db2.gz	KMOYAMGYMQFQIR-UHFFFAOYSA-N	-1	1	403.456	4.117	50	0		HIAAMM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21	ZINC000000944549	568754368	/nfs/dbraw/zinc/75/43/68/568754368.db2.gz	FPOWTKQGPGPQAS-UHFFFAOYSA-N	-1	1	420.446	4.464	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1)N1CCCCC1	ZINC000096568876	568761051	/nfs/dbraw/zinc/76/10/51/568761051.db2.gz	UHWDMGOWFTWHRB-UHFFFAOYSA-N	-1	1	420.534	4.365	50	0		HIAAMM
CCCCn1c(=O)c2sccc2nc1SCc1cc(=O)oc2cc([O-])ccc12	ZINC000002909329	568815496	/nfs/dbraw/zinc/81/54/96/568815496.db2.gz	NKTKHVYISAZDMK-UHFFFAOYSA-N	-1	1	414.508	4.362	50	0		HIAAMM
CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000012525836	568842847	/nfs/dbraw/zinc/84/28/47/568842847.db2.gz	YVGFJPZTRWWNEK-UHFFFAOYSA-N	-1	1	422.478	4.099	50	0		HIAAMM
CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000012548686	568851931	/nfs/dbraw/zinc/85/19/31/568851931.db2.gz	XCGSLDFWVULCLF-LBPRGKRZSA-N	-1	1	400.422	4.035	50	0		HIAAMM
CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000003173115	568859718	/nfs/dbraw/zinc/85/97/18/568859718.db2.gz	KOAFCWCEDGQXBZ-UHFFFAOYSA-N	-1	1	400.422	4.035	50	0		HIAAMM
O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccoc1	ZINC000012605486	568870943	/nfs/dbraw/zinc/87/09/43/568870943.db2.gz	QHVBSNAAKJRERS-UHFFFAOYSA-N	-1	1	410.373	4.352	50	0		HIAAMM
CCCn1c([O-])c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21	ZINC000001243075	568908346	/nfs/dbraw/zinc/90/83/46/568908346.db2.gz	FSQUTNZMFGYIGO-UHFFFAOYSA-N	-1	1	415.287	4.440	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H]1Cc1ccccc1	ZINC000012731421	568922777	/nfs/dbraw/zinc/92/27/77/568922777.db2.gz	BDGMLMCUOVCNKC-QFIPXVFZSA-N	-1	1	420.534	4.335	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3SCC(F)(F)F)ccc2N1	ZINC000012738911	568926439	/nfs/dbraw/zinc/92/64/39/568926439.db2.gz	ZJVQNKIPPPBOBC-UHFFFAOYSA-N	-1	1	416.446	4.027	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)C3CCCC3)c2)c1C	ZINC000031722907	568929819	/nfs/dbraw/zinc/92/98/19/568929819.db2.gz	CWOROGBOENKQGO-UHFFFAOYSA-N	-1	1	421.584	4.437	50	0		HIAAMM
COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2c(ccc4ccccc42)O3)c(OC)c1OC	ZINC000004169851	568948028	/nfs/dbraw/zinc/94/80/28/568948028.db2.gz	BZDHCEWQFPJMPK-UHFFFAOYSA-N	-1	1	416.433	4.312	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@@H]1CC=CCC1	ZINC000012778714	568956356	/nfs/dbraw/zinc/95/63/56/568956356.db2.gz	WOPCXNNUDYXTRG-CYBMUJFWSA-N	-1	1	406.891	4.141	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1	ZINC000004289731	568959565	/nfs/dbraw/zinc/95/95/65/568959565.db2.gz	OKMMTZUHSRSFEM-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000012789090	568960887	/nfs/dbraw/zinc/96/08/87/568960887.db2.gz	XTFHRFXSPQZTGX-UHFFFAOYSA-N	-1	1	412.486	4.207	50	0		HIAAMM
CCc1cccc(CC)c1Nc1nc([O-])c(CC(=O)Nc2cccc(C(C)=O)c2)s1	ZINC000007987915	568965611	/nfs/dbraw/zinc/96/56/11/568965611.db2.gz	AJSWAEPJSDKTCY-LJQANCHMSA-N	-1	1	423.538	4.453	50	0		HIAAMM
O=C(OCc1cccc(COC(=O)c2ccc(O)c(F)c2)c1)c1ccc([O-])c(F)c1	ZINC000526061666	569017007	/nfs/dbraw/zinc/01/70/07/569017007.db2.gz	XOZKRECPKXTNAK-UHFFFAOYSA-N	-1	1	414.360	4.090	50	0	in-vitro	HIAAMM
O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(F)cc1	ZINC000015882229	569018997	/nfs/dbraw/zinc/01/89/97/569018997.db2.gz	JIAWWOKRIKCNET-UHFFFAOYSA-N	-1	1	412.490	4.074	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1	ZINC000015882216	569019009	/nfs/dbraw/zinc/01/90/09/569019009.db2.gz	ZGSSYRDZVAUJAX-UHFFFAOYSA-N	-1	1	408.527	4.243	50	0		HIAAMM
O=C(Nc1cccnc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000006189229	569029757	/nfs/dbraw/zinc/02/97/57/569029757.db2.gz	PVWVPYFGXOCBPC-UHFFFAOYSA-N	-1	1	421.400	4.154	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C/c3ccc(C)o3)c2)cc1	ZINC000006352422	569045119	/nfs/dbraw/zinc/04/51/19/569045119.db2.gz	RHEIHVXKUMSRFA-OUKQBFOZSA-N	-1	1	412.467	4.049	50	0		HIAAMM
CCOc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000006576866	569066757	/nfs/dbraw/zinc/06/67/57/569066757.db2.gz	HEPOAYPHPZOHIU-YTFSRNRJSA-N	-1	1	414.461	4.136	50	0	aggregator	HIAAMM
CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1	ZINC000006752725	569111347	/nfs/dbraw/zinc/11/13/47/569111347.db2.gz	DGOHFJNZQHXKBT-JLRUASKGSA-N	-1	1	420.509	4.037	50	0		HIAAMM
COc1ccc(Cn2c3cc(OC)ccc3c(CNCc3ccco3)c2C(=O)[O-])cc1	ZINC000006794530	569125596	/nfs/dbraw/zinc/12/55/96/569125596.db2.gz	MDJCYHNMHMWBKQ-UHFFFAOYSA-N	-1	1	420.465	4.288	50	0		HIAAMM
CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21	ZINC000065020903	569154090	/nfs/dbraw/zinc/15/40/90/569154090.db2.gz	QYXGHJXPAREPCJ-UHFFFAOYSA-N	-1	1	412.433	4.150	50	0		HIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1	ZINC000006887805	569171470	/nfs/dbraw/zinc/17/14/70/569171470.db2.gz	LLNCOBKSWATART-UHFFFAOYSA-N	-1	1	402.472	4.030	50	0		HIAAMM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000065116287	569179847	/nfs/dbraw/zinc/17/98/47/569179847.db2.gz	BDMBVRCXZVDMKL-UHFFFAOYSA-N	-1	1	417.462	4.111	50	0		HIAAMM
Cc1c(-c2nnc(C3CCC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000065186575	569192174	/nfs/dbraw/zinc/19/21/74/569192174.db2.gz	FJAUSVVHEAWDQI-UHFFFAOYSA-N	-1	1	400.504	4.069	50	0		HIAAMM
CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(CC)cc3)c(C)n2CC)o1	ZINC000065186591	569192261	/nfs/dbraw/zinc/19/22/61/569192261.db2.gz	RXDSTFCEILNMGS-UHFFFAOYSA-N	-1	1	402.520	4.100	50	0		HIAAMM
Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c12	ZINC000007424036	569238062	/nfs/dbraw/zinc/23/80/62/569238062.db2.gz	NGKGJOKORZOIPC-UHFFFAOYSA-N	-1	1	412.371	4.293	50	0		HIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(S(C)(=O)=O)cc2)S1	ZINC000071288416	569252415	/nfs/dbraw/zinc/25/24/15/569252415.db2.gz	PQPBXYZTZZMKSX-GOSISDBHSA-N	-1	1	419.572	4.361	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1	ZINC000014227045	569259048	/nfs/dbraw/zinc/25/90/48/569259048.db2.gz	DTMSJOLQIGJQTQ-UHFFFAOYSA-N	-1	1	412.515	4.258	50	0		HIAAMM
COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1ccc([O-])c(Cl)c1	ZINC000089643393	569261670	/nfs/dbraw/zinc/26/16/70/569261670.db2.gz	HIUJDPXGFBFGNT-GOSISDBHSA-N	-1	1	404.825	4.211	50	0		HIAAMM
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000016975306	569269859	/nfs/dbraw/zinc/26/98/59/569269859.db2.gz	BZFSHWWGVGIQES-UHFFFAOYSA-N	-1	1	424.503	4.325	50	0		HIAAMM
CCOc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1	ZINC000067293236	571069154	/nfs/dbraw/zinc/06/91/54/571069154.db2.gz	BHSFRLMMKGILDQ-BZZOAKBMSA-N	-1	1	401.422	4.417	50	0		HIAAMM
COc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c1	ZINC000067294258	571069735	/nfs/dbraw/zinc/06/97/35/571069735.db2.gz	LEQXJFRWVFMSFM-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
Cc1ccc(Cl)cc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000008690702	571102002	/nfs/dbraw/zinc/10/20/02/571102002.db2.gz	ZMUCMAJDAVMXHA-GOSISDBHSA-N	-1	1	420.943	4.368	50	0		HIAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1ccc(Cl)cc1Cl	ZINC000008856605	571127985	/nfs/dbraw/zinc/12/79/85/571127985.db2.gz	ZTFITFCHRSFLJD-UHFFFAOYSA-N	-1	1	400.225	4.056	50	0		HIAAMM
CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1	ZINC000008977069	571197805	/nfs/dbraw/zinc/19/78/05/571197805.db2.gz	CXDVHHJBWRYHMO-UHFFFAOYSA-N	-1	1	408.523	4.181	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)ccc1F	ZINC000008977493	571198152	/nfs/dbraw/zinc/19/81/52/571198152.db2.gz	QJYQNRDDRBMUMR-UHFFFAOYSA-N	-1	1	424.497	4.133	50	0		HIAAMM
CN1c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc2OCC(C)(C)C1=O	ZINC000009169890	571233362	/nfs/dbraw/zinc/23/33/62/571233362.db2.gz	GEVOOJGVJVMJJV-UHFFFAOYSA-N	-1	1	410.495	4.022	50	0		HIAAMM
O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000009390567	571254472	/nfs/dbraw/zinc/25/44/72/571254472.db2.gz	DGAHCAKPQYCOFV-UHFFFAOYSA-N	-1	1	418.877	4.210	50	0		HIAAMM
Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c1	ZINC000009529540	571266596	/nfs/dbraw/zinc/26/65/96/571266596.db2.gz	IGYSOLMXQVDSCY-UHFFFAOYSA-N	-1	1	408.527	4.161	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)c1	ZINC000009896660	571289660	/nfs/dbraw/zinc/28/96/60/571289660.db2.gz	SIIISNQYOFWCFH-UHFFFAOYSA-N	-1	1	412.536	4.056	50	0		HIAAMM
COc1ccc([C@H](CC(=O)c2ccc([O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001205887	845003330	/nfs/dbraw/zinc/00/33/30/845003330.db2.gz	XHNXCPRRKFYKMM-QHCPKHFHSA-N	-1	1	410.491	4.497	50	0		HIAAMM
O=c1oc2ccccc2c(NC2CCCC2)c1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000045962398	848759154	/nfs/dbraw/zinc/75/91/54/848759154.db2.gz	ADERGIGROUDCQK-UHFFFAOYSA-N	-1	1	420.437	4.227	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc21	ZINC000032943888	519635787	/nfs/dbraw/zinc/63/57/87/519635787.db2.gz	BZRSQDFESIEZIG-LBPRGKRZSA-N	-1	1	410.948	4.296	50	0		HIAAMM
COc1cc(Br)cc(CNCc2ccc(C(=O)[O-])cc2)c1OC(C)C	ZINC000040728550	522026353	/nfs/dbraw/zinc/02/63/53/522026353.db2.gz	KAZKHKBTEBMSBC-UHFFFAOYSA-N	-1	1	408.292	4.233	50	0		HIAAMM
O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(C(F)(F)F)c1	ZINC000032776759	527254121	/nfs/dbraw/zinc/25/41/21/527254121.db2.gz	QVGZTCXWTPLHIL-INIZCTEOSA-N	-1	1	401.406	4.064	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1ccc2ccccc2c1	ZINC000000629790	557025605	/nfs/dbraw/zinc/02/56/05/557025605.db2.gz	JHARHPMTWOLZLG-UHFFFAOYSA-N	-1	1	400.463	4.350	50	0		HIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1	ZINC000000674191	557051009	/nfs/dbraw/zinc/05/10/09/557051009.db2.gz	NMGHJTKLLCWPOS-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2I)cc1	ZINC000001040972	557153527	/nfs/dbraw/zinc/15/35/27/557153527.db2.gz	WJMLCISGBPWDFU-UHFFFAOYSA-N	-1	1	407.660	4.054	50	0		HIAAMM
CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000001110711	557183203	/nfs/dbraw/zinc/18/32/03/557183203.db2.gz	XOGZYNKXUMQVLF-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
COc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc(OC)c1OC	ZINC000001207943	557241857	/nfs/dbraw/zinc/24/18/57/557241857.db2.gz	BTXWDNRIXBPFAS-UHFFFAOYSA-N	-1	1	420.421	4.479	50	0		HIAAMM
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1	ZINC000002861586	557410293	/nfs/dbraw/zinc/41/02/93/557410293.db2.gz	TURLWGALOWAEAI-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1	ZINC000005999248	557683747	/nfs/dbraw/zinc/68/37/47/557683747.db2.gz	WZFYWAOWGIJOIS-UHFFFAOYSA-N	-1	1	402.402	4.288	50	0		HIAAMM
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1	ZINC000005999248	557683748	/nfs/dbraw/zinc/68/37/48/557683748.db2.gz	WZFYWAOWGIJOIS-UHFFFAOYSA-N	-1	1	402.402	4.288	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000007990939	557769185	/nfs/dbraw/zinc/76/91/85/557769185.db2.gz	IQNNVWPZKUHWHT-QGZVFWFLSA-N	-1	1	413.543	4.363	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2	ZINC000007990955	557769205	/nfs/dbraw/zinc/76/92/05/557769205.db2.gz	HLMCILDQHSKZOE-QGZVFWFLSA-N	-1	1	413.543	4.365	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346007	557782970	/nfs/dbraw/zinc/78/29/70/557782970.db2.gz	PFVWURVKDRWDCD-CQSZACIVSA-N	-1	1	419.572	4.425	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346020	557783011	/nfs/dbraw/zinc/78/30/11/557783011.db2.gz	IQJASNHNTOVGPX-KRWDZBQOSA-N	-1	1	413.543	4.445	50	0		HIAAMM
O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000008452590	557791068	/nfs/dbraw/zinc/79/10/68/557791068.db2.gz	PVBPTMYCAONHBI-UHFFFAOYSA-N	-1	1	416.296	4.481	50	0		HIAAMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[n-]3)nc12	ZINC000009053931	557821002	/nfs/dbraw/zinc/82/10/02/557821002.db2.gz	YAXWLGLJOLIBFH-UHFFFAOYSA-N	-1	1	415.497	4.371	50	0		HIAAMM
Cc1cccnc1[N-][C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O	ZINC000019939518	558313700	/nfs/dbraw/zinc/31/37/00/558313700.db2.gz	MZFYNRNEWWOKRV-HXUWFJFHSA-N	-1	1	402.420	4.292	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3O)c2)c1	ZINC000025177425	558633999	/nfs/dbraw/zinc/63/39/99/558633999.db2.gz	JVTSEAMSVVBPSM-UHFFFAOYSA-N	-1	1	416.886	4.407	50	0		HIAAMM
Cn1cnc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)c1Cl	ZINC000027965473	558685296	/nfs/dbraw/zinc/68/52/96/558685296.db2.gz	HCVYOTUNNGMHQK-QGZVFWFLSA-N	-1	1	421.975	4.082	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1nc(-c2ccccc2)cs1	ZINC000015321019	558732608	/nfs/dbraw/zinc/73/26/08/558732608.db2.gz	YEPSGLBDOFLDDX-UHFFFAOYSA-N	-1	1	420.519	4.291	50	0		HIAAMM
O=C(NC1CCCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1	ZINC000033115382	558761663	/nfs/dbraw/zinc/76/16/63/558761663.db2.gz	HTBFNTRUFZXMGM-UHFFFAOYSA-N	-1	1	412.555	4.358	50	0		HIAAMM
CCOC(=O)c1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)cc3)nc(=O)c2c1C	ZINC000016097358	558771656	/nfs/dbraw/zinc/77/16/56/558771656.db2.gz	WTLIAKKTXKTSOH-SNVBAGLBSA-N	-1	1	420.874	4.041	50	0		HIAAMM
COc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1	ZINC000017088900	558817618	/nfs/dbraw/zinc/81/76/18/558817618.db2.gz	UAVBQXJJAHPFHJ-UHFFFAOYSA-N	-1	1	411.483	4.448	50	0		HIAAMM
O=C(Nn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3)c1csc2c1CCCC2	ZINC000017091196	558819752	/nfs/dbraw/zinc/81/97/52/558819752.db2.gz	VHWBRKGKKXMISC-UHFFFAOYSA-N	-1	1	417.581	4.324	50	0		HIAAMM
Cc1cc(C)cc(OCCSc2nc(Cc3c(F)cccc3F)cc(=O)[n-]2)c1	ZINC000004625672	558889425	/nfs/dbraw/zinc/88/94/25/558889425.db2.gz	AXJBCLFGALVKLZ-UHFFFAOYSA-N	-1	1	402.466	4.427	50	0		HIAAMM
CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc[nH]n3)ccc2C)cc1	ZINC000060169000	558941560	/nfs/dbraw/zinc/94/15/60/558941560.db2.gz	OMLYHWXUOAGJFK-UHFFFAOYSA-N	-1	1	412.515	4.114	50	0		HIAAMM
O=C1C[C@H](c2cccc(O)c2)c2c(=O)[n-]c(SCc3ccc(Cl)cc3)nc2N1	ZINC000021784142	558949308	/nfs/dbraw/zinc/94/93/08/558949308.db2.gz	QWFLQRDGXBWZFY-OAHLLOKOSA-N	-1	1	413.886	4.308	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1	ZINC000005136547	559249765	/nfs/dbraw/zinc/24/97/65/559249765.db2.gz	ODDIHYODCQPZJS-UHFFFAOYSA-N	-1	1	412.536	4.450	50	0		HIAAMM
CCCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000011855211	559262391	/nfs/dbraw/zinc/26/23/91/559262391.db2.gz	LCRHLBBAKIZLHP-UHFFFAOYSA-N	-1	1	405.483	4.090	50	0		HIAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCC2)Nc1ccccc1Sc1ccccc1	ZINC000011905467	559266429	/nfs/dbraw/zinc/26/64/29/559266429.db2.gz	CVNYRURVVCKXRI-UHFFFAOYSA-N	-1	1	409.536	4.141	50	0		HIAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(Cl)c2)n1	ZINC000012007741	559271016	/nfs/dbraw/zinc/27/10/16/559271016.db2.gz	MBLQHIDVMORUHJ-UHFFFAOYSA-N	-1	1	423.860	4.245	50	0		HIAAMM
CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252487906	559277561	/nfs/dbraw/zinc/27/75/61/559277561.db2.gz	IDVVTKSEKSNDOQ-HXUWFJFHSA-N	-1	1	423.494	4.168	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)cc1	ZINC000003225446	560589868	/nfs/dbraw/zinc/58/98/68/560589868.db2.gz	WHZYKSDUFBBCQD-UHFFFAOYSA-N	-1	1	408.523	4.158	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1Cl	ZINC000005652446	560636628	/nfs/dbraw/zinc/63/66/28/560636628.db2.gz	WWVGXPREADJOME-UHFFFAOYSA-N	-1	1	407.660	4.054	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1	ZINC000101081936	560772482	/nfs/dbraw/zinc/77/24/82/560772482.db2.gz	DYMRJCXFMYYENS-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018060363	560774167	/nfs/dbraw/zinc/77/41/67/560774167.db2.gz	UMMITTVSECNVIF-BDTNDASRSA-N	-1	1	416.502	4.460	50	0		HIAAMM
CCCC[C@@H]1c2c(O)n(-c3ccc(OCCC)cc3)c(O)c2ON1c1ccccc1	ZINC000018067822	560774578	/nfs/dbraw/zinc/77/45/78/560774578.db2.gz	HTHMRCIAPOXXJW-VSKRKVRLSA-N	-1	1	408.498	4.344	50	0		HIAAMM
Cc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1	ZINC000101281985	560790386	/nfs/dbraw/zinc/79/03/86/560790386.db2.gz	HGOIQUQRTPFDIN-UHFFFAOYSA-N	-1	1	422.488	4.365	50	0		HIAAMM
Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(F)cc2F)CC(=O)N3)cc1	ZINC000006748331	568458234	/nfs/dbraw/zinc/45/82/34/568458234.db2.gz	NULFSFRPMNECAC-OAHLLOKOSA-N	-1	1	413.449	4.123	50	0		HIAAMM
O=C1C[C@H](c2ccccc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096115036	568694626	/nfs/dbraw/zinc/69/46/26/568694626.db2.gz	YYNBYINOVSUQTL-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccccc1)CC(=O)O2	ZINC000096115036	568694627	/nfs/dbraw/zinc/69/46/27/568694627.db2.gz	YYNBYINOVSUQTL-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(F)c1	ZINC000096118105	568697374	/nfs/dbraw/zinc/69/73/74/568697374.db2.gz	UZKJVLBIWQEWFS-PXAZEXFGSA-N	-1	1	405.495	4.340	50	0		HIAAMM
O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1ccc2n[n-]c(=S)n2c1	ZINC000241317012	568731050	/nfs/dbraw/zinc/73/10/50/568731050.db2.gz	LXABDVDYEBBKAQ-INIZCTEOSA-N	-1	1	400.916	4.252	50	0		HIAAMM
CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000241923316	568731990	/nfs/dbraw/zinc/73/19/90/568731990.db2.gz	UEZFOGLVGUNHDF-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000096379532	568741041	/nfs/dbraw/zinc/74/10/41/568741041.db2.gz	JKZJZBCAYNAKJY-UHFFFAOYSA-N	-1	1	404.467	4.197	50	0		HIAAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cc1OC	ZINC000005372444	568840481	/nfs/dbraw/zinc/84/04/81/568840481.db2.gz	ZTDZBANCSDDWBF-UHFFFAOYSA-N	-1	1	400.243	4.374	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccs2)c1	ZINC000012526388	568843229	/nfs/dbraw/zinc/84/32/29/568843229.db2.gz	IAIQIGYGMVPLHF-UHFFFAOYSA-N	-1	1	400.525	4.096	50	0		HIAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCCC1	ZINC000003186689	568860437	/nfs/dbraw/zinc/86/04/37/568860437.db2.gz	YYHMDEXWFZELLG-UHFFFAOYSA-N	-1	1	412.433	4.132	50	0		HIAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CCc2ccccc21	ZINC000003515889	568861785	/nfs/dbraw/zinc/86/17/85/568861785.db2.gz	FZTWQVJAHJHIAA-UHFFFAOYSA-N	-1	1	412.898	4.344	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCc2cccs2)c1	ZINC000012583634	568865557	/nfs/dbraw/zinc/86/55/57/568865557.db2.gz	ZZJRBNLNRITRQL-UHFFFAOYSA-N	-1	1	414.552	4.138	50	0		HIAAMM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1	ZINC000003356136	568886676	/nfs/dbraw/zinc/88/66/76/568886676.db2.gz	PYQCVPCMOPXJBB-UHFFFAOYSA-N	-1	1	417.870	4.418	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1	ZINC000003356449	568886937	/nfs/dbraw/zinc/88/69/37/568886937.db2.gz	WFYYIQHBECXALY-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)c(C)c1	ZINC000031721795	568929774	/nfs/dbraw/zinc/92/97/74/568929774.db2.gz	IDWASBXEHYXVKU-UHFFFAOYSA-N	-1	1	407.557	4.129	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Br)c2)cc1	ZINC000012809196	568980757	/nfs/dbraw/zinc/98/07/57/568980757.db2.gz	LVQYZQITMLMWRO-UHFFFAOYSA-N	-1	1	403.305	4.317	50	0		HIAAMM
COc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1	ZINC000006046622	568982503	/nfs/dbraw/zinc/98/25/03/568982503.db2.gz	SIZQYLDOAJTUII-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
COc1ccc(CNCc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])c(OC)c1	ZINC000015776802	569000118	/nfs/dbraw/zinc/00/01/18/569000118.db2.gz	PJHWZLANAZUERL-UHFFFAOYSA-N	-1	1	422.525	4.467	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(CC)cc3)ccc2s1	ZINC000015870416	569017309	/nfs/dbraw/zinc/01/73/09/569017309.db2.gz	GJTFKBWTXNZBHW-UHFFFAOYSA-N	-1	1	403.529	4.398	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1	ZINC000015879633	569017938	/nfs/dbraw/zinc/01/79/38/569017938.db2.gz	BTOSUHXJUSAXKH-UHFFFAOYSA-N	-1	1	405.829	4.125	50	0		HIAAMM
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCC2)cc1	ZINC000064843786	569107727	/nfs/dbraw/zinc/10/77/27/569107727.db2.gz	FMQUMAYAGUXURI-UHFFFAOYSA-N	-1	1	417.531	4.084	50	0		HIAAMM
CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)ccc21	ZINC000064861789	569110538	/nfs/dbraw/zinc/11/05/38/569110538.db2.gz	NQNPCNFEZGYVSV-UHFFFAOYSA-N	-1	1	401.532	4.093	50	0		HIAAMM
CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(C)n2CC)o1	ZINC000065186599	569192177	/nfs/dbraw/zinc/19/21/77/569192177.db2.gz	NAGYNFUVVDHEHJ-UHFFFAOYSA-N	-1	1	402.520	4.155	50	0		HIAAMM
CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C	ZINC000065194602	569192765	/nfs/dbraw/zinc/19/27/65/569192765.db2.gz	LHQNRFSTPJTDOL-UHFFFAOYSA-N	-1	1	422.457	4.131	50	0		HIAAMM
CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2C1=O	ZINC000065241555	569201783	/nfs/dbraw/zinc/20/17/83/569201783.db2.gz	SSTWUYHMDUJVGJ-UHFFFAOYSA-N	-1	1	423.494	4.272	50	0		HIAAMM
O=S(=O)([N-]c1ccc2oc(C(F)(F)F)nc2c1)c1ccc(Br)cc1	ZINC000065592636	569236909	/nfs/dbraw/zinc/23/69/09/569236909.db2.gz	BVAKEPNWTKTUPU-UHFFFAOYSA-N	-1	1	421.194	4.410	50	0		HIAAMM
Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1	ZINC000017013952	569271650	/nfs/dbraw/zinc/27/16/50/569271650.db2.gz	OGWIWFFZQDCXSR-UHFFFAOYSA-N	-1	1	417.922	4.049	50	0		HIAAMM
CC(C)c1ccc2c(c1)occ([C@@H]1N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O	ZINC000252515648	569292146	/nfs/dbraw/zinc/29/21/46/569292146.db2.gz	MJNMRWVUYDGWQA-KNQAVFIVSA-N	-1	1	402.450	4.086	50	0		HIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1	ZINC000007708591	569301592	/nfs/dbraw/zinc/30/15/92/569301592.db2.gz	MQSKBVRLMNZCNR-UHFFFAOYSA-N	-1	1	406.507	4.205	50	0		HIAAMM
Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000253412431	569389037	/nfs/dbraw/zinc/38/90/37/569389037.db2.gz	QZNGAWBKCBVSNJ-UHFFFAOYSA-N	-1	1	403.910	4.122	50	0		HIAAMM
Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc4c3cccc4N(C)C)c2)n1	ZINC000328596097	569416019	/nfs/dbraw/zinc/41/60/19/569416019.db2.gz	SCXPMRKZOFDOER-UHFFFAOYSA-N	-1	1	418.522	4.472	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1	ZINC000067294263	571069709	/nfs/dbraw/zinc/06/97/09/571069709.db2.gz	KQBKFULAHUVJHV-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c(Cl)c1	ZINC000067298809	571072552	/nfs/dbraw/zinc/07/25/52/571072552.db2.gz	DMQYRXIIDKNASL-NOAXNCOGSA-N	-1	1	412.873	4.241	50	0		HIAAMM
Cc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)ccc1Cl	ZINC000067298866	571072914	/nfs/dbraw/zinc/07/29/14/571072914.db2.gz	HFYRZCLPBWXAJB-JUZPYSENSA-N	-1	1	412.873	4.241	50	0		HIAAMM
CCOc1ccccc1C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000040108860	571168351	/nfs/dbraw/zinc/16/83/51/571168351.db2.gz	JMBVVJKAFPFBOV-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)s1	ZINC000040155948	571203196	/nfs/dbraw/zinc/20/31/96/571203196.db2.gz	QAJYEVVBMNEPFW-OAHLLOKOSA-N	-1	1	415.540	4.086	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2OCC(C)(C)C1=O	ZINC000009167704	571233148	/nfs/dbraw/zinc/23/31/48/571233148.db2.gz	IHTQWTRPTHZIRJ-UHFFFAOYSA-N	-1	1	416.543	4.266	50	0		HIAAMM
CC(C)CN1c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2OCC(C)(C)C1=O	ZINC000009168215	571233154	/nfs/dbraw/zinc/23/31/54/571233154.db2.gz	ADECALPRBKTUGZ-UHFFFAOYSA-N	-1	1	420.506	4.034	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C[C@@H]1c1ccco1	ZINC000009203319	571236325	/nfs/dbraw/zinc/23/63/25/571236325.db2.gz	FVBPXGOQSONPQB-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
C[C@H](CCc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000009356531	571251312	/nfs/dbraw/zinc/25/13/12/571251312.db2.gz	NNZCKYAQIPZXRT-GOSISDBHSA-N	-1	1	408.523	4.239	50	0		HIAAMM
O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)c2c(=O)[n-]c(-c3ccccc3)nc2N1	ZINC000009410123	571255732	/nfs/dbraw/zinc/25/57/32/571255732.db2.gz	OPLYWLAJUSUGSW-NRFANRHFSA-N	-1	1	423.472	4.490	50	0		HIAAMM
O=C(CSc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1)c1ccc(Cl)cc1	ZINC000070635126	571270331	/nfs/dbraw/zinc/27/03/31/571270331.db2.gz	YNGVKXBTZZODLX-UHFFFAOYSA-N	-1	1	420.903	4.284	50	0		HIAAMM
CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C[C@H]1c1ccco1	ZINC000009668203	571278219	/nfs/dbraw/zinc/27/82/19/571278219.db2.gz	VEHPDWVGRXORMM-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1)[nH]c1c2C(=O)CCC1	ZINC000009685843	571279929	/nfs/dbraw/zinc/27/99/29/571279929.db2.gz	KJPDITLDDNNGJT-UHFFFAOYSA-N	-1	1	410.495	4.253	50	0		HIAAMM
CCCCCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2ccccc21	ZINC000005734994	845139134	/nfs/dbraw/zinc/13/91/34/845139134.db2.gz	QBMNEWKOGFTGDT-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
COc1ccccc1/C=C\C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000098007633	852651328	/nfs/dbraw/zinc/65/13/28/852651328.db2.gz	BCNSVADUCAICME-SQFISAMPSA-N	-1	1	422.506	4.456	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)c1	ZINC000005099621	132301147	/nfs/dbraw/zinc/30/11/47/132301147.db2.gz	FIFQOCYYWRPUMI-UHFFFAOYSA-N	-1	1	412.536	4.450	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)c1	ZINC000005099613	132301232	/nfs/dbraw/zinc/30/12/32/132301232.db2.gz	JWHOOSFFEFDSQC-UHFFFAOYSA-N	-1	1	410.495	4.290	50	0		HIAAMM
CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21	ZINC000005136597	132302783	/nfs/dbraw/zinc/30/27/83/132302783.db2.gz	LCJXUBCOEFOYFE-UHFFFAOYSA-N	-1	1	412.555	4.301	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccn3)CC2)[n-]c2c(-c3ccc(Cl)cc3)csc21	ZINC000044169382	527439963	/nfs/dbraw/zinc/43/99/63/527439963.db2.gz	WKQOUZLLIJHEII-UHFFFAOYSA-N	-1	1	423.929	4.027	50	0		HIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1	ZINC000000674163	557051124	/nfs/dbraw/zinc/05/11/24/557051124.db2.gz	HAONXWJZBCDUPI-UHFFFAOYSA-N	-1	1	410.495	4.122	50	0		HIAAMM
CCOc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccncc1	ZINC000000876761	557108228	/nfs/dbraw/zinc/10/82/28/557108228.db2.gz	CSHXTNDYFBIASX-RWEWTDSWSA-N	-1	1	401.422	4.417	50	0		HIAAMM
O=C(COc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000004789048	557598176	/nfs/dbraw/zinc/59/81/76/557598176.db2.gz	XHQBTWLOWXNXLO-UHFFFAOYSA-N	-1	1	416.886	4.158	50	0		HIAAMM
O=c1c2c(n3c([S-])nnc3n1Cc1ccco1)-c1ccccc1CC21CCCCC1	ZINC000005650197	557666580	/nfs/dbraw/zinc/66/65/80/557666580.db2.gz	QJBAWNDAKJYXJO-UHFFFAOYSA-N	-1	1	418.522	4.246	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)c1	ZINC000006269524	557697161	/nfs/dbraw/zinc/69/71/61/557697161.db2.gz	JBBKQSLXLBJZOM-UHFFFAOYSA-N	-1	1	408.523	4.077	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2	ZINC000007990983	557769462	/nfs/dbraw/zinc/76/94/62/557769462.db2.gz	LSTZDOWPMPOJIC-CQSZACIVSA-N	-1	1	405.545	4.117	50	0		HIAAMM
C[C@@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000011902926	558295594	/nfs/dbraw/zinc/29/55/94/558295594.db2.gz	GPASMFFQZVMNLO-MRVPVSSYSA-N	-1	1	417.840	4.050	50	0		HIAAMM
COc1ccc(N2OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1	ZINC000013598062	558547615	/nfs/dbraw/zinc/54/76/15/558547615.db2.gz	GKSKCRIAZYSLAD-VJBWXMMDSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000013625233	558550990	/nfs/dbraw/zinc/55/09/90/558550990.db2.gz	MBSNSYYUGPZPFJ-UHFFFAOYSA-N	-1	1	405.494	4.221	50	0		HIAAMM
CC[C@@H](C)c1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n([C@H](C)CC)c1=O	ZINC000013957251	558607846	/nfs/dbraw/zinc/60/78/46/558607846.db2.gz	KLRSUPASYZEQSH-HUUCEWRRSA-N	-1	1	403.548	4.473	50	0		HIAAMM
O=C(COc1c(Cl)cccc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000024985780	558624832	/nfs/dbraw/zinc/62/48/32/558624832.db2.gz	XUOZBVXBGMKJQX-UHFFFAOYSA-N	-1	1	408.281	4.199	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2)c1	ZINC000028930134	558707393	/nfs/dbraw/zinc/70/73/93/558707393.db2.gz	XMOJNOJKDXHJPD-UHFFFAOYSA-N	-1	1	408.523	4.376	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1	ZINC000029066314	558709314	/nfs/dbraw/zinc/70/93/14/558709314.db2.gz	ODKSGVXVWZTWOX-UHFFFAOYSA-N	-1	1	421.530	4.271	50	0		HIAAMM
CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1	ZINC000033007534	558828297	/nfs/dbraw/zinc/82/82/97/558828297.db2.gz	YLEKPJSEUJVTGF-UHFFFAOYSA-N	-1	1	413.883	4.238	50	0		HIAAMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1	ZINC000058423508	558926028	/nfs/dbraw/zinc/92/60/28/558926028.db2.gz	JERNPXIWGOOVNN-UHFFFAOYSA-N	-1	1	407.518	4.003	50	0		HIAAMM
Cc1c(Cl)cccc1NC(=O)Cc1cc(=O)[n-]c(SCc2ccccc2F)n1	ZINC000023138435	559019813	/nfs/dbraw/zinc/01/98/13/559019813.db2.gz	MESMBEHHQUYWDR-UHFFFAOYSA-N	-1	1	417.893	4.344	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1	ZINC000005121183	559247861	/nfs/dbraw/zinc/24/78/61/559247861.db2.gz	ZDWGXBZWKXLAIZ-UHFFFAOYSA-N	-1	1	402.907	4.126	50	0		HIAAMM
CCOC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)CCCC2	ZINC000005145150	559252490	/nfs/dbraw/zinc/25/24/90/559252490.db2.gz	RVCHPDXCAMQZMT-UHFFFAOYSA-N	-1	1	400.500	4.382	50	0		HIAAMM
O=C(COc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000000977640	560726717	/nfs/dbraw/zinc/72/67/17/560726717.db2.gz	MKWRXKUODGXDGN-UHFFFAOYSA-N	-1	1	419.462	4.092	50	0		HIAAMM
COc1ccc(-c2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC	ZINC000018193962	560782264	/nfs/dbraw/zinc/78/22/64/560782264.db2.gz	UMIMTEVWQNVRRU-UHFFFAOYSA-N	-1	1	422.466	4.438	50	0		HIAAMM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=S	ZINC000101767053	560799890	/nfs/dbraw/zinc/79/98/90/560799890.db2.gz	BUQQTQJLYNAOFN-INIZCTEOSA-N	-1	1	411.508	4.212	50	0		HIAAMM
Cc1ccc(CNC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccccc5)nc-4c3c2)cc1	ZINC000101828420	560802763	/nfs/dbraw/zinc/80/27/63/560802763.db2.gz	TWDWEOXWEMLKEF-UHFFFAOYSA-N	-1	1	408.461	4.057	50	0		HIAAMM
CCSc1ccccc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1	ZINC000012126625	560889714	/nfs/dbraw/zinc/88/97/14/560889714.db2.gz	WHLPSKGMCYHTLS-UHFFFAOYSA-N	-1	1	423.542	4.321	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCCCCC3)cc2)cc1	ZINC000001065623	568415384	/nfs/dbraw/zinc/41/53/84/568415384.db2.gz	KVTAKCNUDFVRID-UHFFFAOYSA-N	-1	1	400.544	4.131	50	0		HIAAMM
CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccsc1	ZINC000048312203	568437943	/nfs/dbraw/zinc/43/79/43/568437943.db2.gz	XZHUDDULCMZROS-ZDUSSCGKSA-N	-1	1	413.779	4.290	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3ccccc3[nH]2)c1	ZINC000024716453	568458175	/nfs/dbraw/zinc/45/81/75/568458175.db2.gz	MUROAFHTRKIIGU-UHFFFAOYSA-N	-1	1	420.494	4.233	50	0		HIAAMM
COc1ccc2c(c1)n(Cc1ccccc1F)c(C(=O)[O-])c2CNCc1ccco1	ZINC000006794404	568459106	/nfs/dbraw/zinc/45/91/06/568459106.db2.gz	WXZGHOBFUWKJHV-UHFFFAOYSA-N	-1	1	408.429	4.418	50	0		HIAAMM
O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000006888904	568463174	/nfs/dbraw/zinc/46/31/74/568463174.db2.gz	YRWJTPDEKYJPQZ-UHFFFAOYSA-N	-1	1	406.916	4.384	50	0		HIAAMM
O=C([O-])c1cc(-n2c(=S)[nH]nc2-c2cncc(Br)c2)ccc1Cl	ZINC000012321358	568470940	/nfs/dbraw/zinc/47/09/40/568470940.db2.gz	RENQNWMGSMQKMZ-UHFFFAOYSA-N	-1	1	411.668	4.106	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)CC)nc3c(C)c2)cc1	ZINC000033007732	568510322	/nfs/dbraw/zinc/51/03/22/568510322.db2.gz	UCOGZJCYITXEOG-UHFFFAOYSA-N	-1	1	419.528	4.153	50	0		HIAAMM
CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1	ZINC000095459306	568619581	/nfs/dbraw/zinc/61/95/81/568619581.db2.gz	ZCNSIVDVSGWVRJ-MAUKXSAKSA-N	-1	1	404.507	4.338	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1Cl	ZINC000020990287	568655845	/nfs/dbraw/zinc/65/58/45/568655845.db2.gz	LFOIQGJTRJMLTJ-UHFFFAOYSA-N	-1	1	418.902	4.458	50	0		HIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1	ZINC000021033661	568659540	/nfs/dbraw/zinc/65/95/40/568659540.db2.gz	SBHVAOLMOIXWQH-UHFFFAOYSA-N	-1	1	412.467	4.197	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(COc4ccccc4)n3)cc2)cc1	ZINC000021702576	568741777	/nfs/dbraw/zinc/74/17/77/568741777.db2.gz	LVTKGZOLOSDZJM-UHFFFAOYSA-N	-1	1	421.478	4.425	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccco1	ZINC000022411617	568767814	/nfs/dbraw/zinc/76/78/14/568767814.db2.gz	KVJPZIKITKGDPT-UHFFFAOYSA-N	-1	1	410.373	4.352	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cncn2)c1C	ZINC000003348371	568856338	/nfs/dbraw/zinc/85/63/38/568856338.db2.gz	PJTDDXXYIWRFKE-UHFFFAOYSA-N	-1	1	424.448	4.321	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c(C)c1	ZINC000003340281	568883601	/nfs/dbraw/zinc/88/36/01/568883601.db2.gz	HNLLYKRLWRHNAA-UHFFFAOYSA-N	-1	1	423.490	4.144	50	0		HIAAMM
Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)s1	ZINC000012728417	568920920	/nfs/dbraw/zinc/92/09/20/568920920.db2.gz	IQFKNFMRGKCWGD-UHFFFAOYSA-N	-1	1	421.931	4.466	50	0		HIAAMM
Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(C)cc4)c3)ccc2o1	ZINC000012742593	568929522	/nfs/dbraw/zinc/92/95/22/568929522.db2.gz	SWMSNXWMSUGOFL-UHFFFAOYSA-N	-1	1	421.478	4.498	50	0		HIAAMM
CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc2s1	ZINC000015870059	569017182	/nfs/dbraw/zinc/01/71/82/569017182.db2.gz	QUFNOSYMYOWQFA-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3n2C)c1	ZINC000015870524	569017214	/nfs/dbraw/zinc/01/72/14/569017214.db2.gz	LWNZOLNHLLXJIY-UHFFFAOYSA-N	-1	1	405.523	4.468	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc2s1	ZINC000015870399	569017261	/nfs/dbraw/zinc/01/72/61/569017261.db2.gz	YBYVMSKLQQYLFY-UHFFFAOYSA-N	-1	1	403.529	4.453	50	0		HIAAMM
Cc1cc([O-])c2c(C)c(CC(=O)Nc3cccc(Br)c3)c(=O)oc2c1	ZINC000006660302	569084398	/nfs/dbraw/zinc/08/43/98/569084398.db2.gz	WWMSYCQFHYKEKF-UHFFFAOYSA-N	-1	1	402.244	4.059	50	0		HIAAMM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(CC(C)C)CC(C)C)c1	ZINC000064843977	569107875	/nfs/dbraw/zinc/10/78/75/569107875.db2.gz	BKVYKEOVHLWCBZ-UHFFFAOYSA-N	-1	1	419.547	4.007	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc21	ZINC000064952221	569131780	/nfs/dbraw/zinc/13/17/80/569131780.db2.gz	QUDZIBRIUCCLEB-UHFFFAOYSA-N	-1	1	416.568	4.215	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c1	ZINC000064952081	569132506	/nfs/dbraw/zinc/13/25/06/569132506.db2.gz	SYEWHWXRHBLGEH-UHFFFAOYSA-N	-1	1	408.570	4.058	50	0		HIAAMM
COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4cccc(F)c4)no3)n2)c1	ZINC000065330964	569225195	/nfs/dbraw/zinc/22/51/95/569225195.db2.gz	AXWLTWPHCUHUHH-UHFFFAOYSA-N	-1	1	410.430	4.339	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1	ZINC000014198799	569258883	/nfs/dbraw/zinc/25/88/83/569258883.db2.gz	VVCKNTNCLBGCIH-UHFFFAOYSA-N	-1	1	418.425	4.266	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1	ZINC000016838141	569263902	/nfs/dbraw/zinc/26/39/02/569263902.db2.gz	IFVIAJFTZVSBOH-UHFFFAOYSA-N	-1	1	408.479	4.487	50	0		HIAAMM
COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4F)no3)n2)cc1	ZINC000016954643	569268596	/nfs/dbraw/zinc/26/85/96/569268596.db2.gz	LMIIPPTXQRXYQD-UHFFFAOYSA-N	-1	1	410.430	4.339	50	0		HIAAMM
O=S(=O)(Cc1cccc(Br)c1)[N-]c1ccccc1OCC(F)(F)F	ZINC000328589854	569414906	/nfs/dbraw/zinc/41/49/06/569414906.db2.gz	KPQUQQDLXJTKKX-UHFFFAOYSA-N	-1	1	424.238	4.332	50	0		HIAAMM
COc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c1	ZINC000067297850	571072179	/nfs/dbraw/zinc/07/21/79/571072179.db2.gz	PAWGQAAZDNXTIS-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)c2c[n-]c3ccc(Br)cc3c2=O)cc1	ZINC000008572714	571082326	/nfs/dbraw/zinc/08/23/26/571082326.db2.gz	HSGMGKCWQHZSGO-UHFFFAOYSA-N	-1	1	420.328	4.421	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc3ccc(Br)cc3c2[O-])cc1	ZINC000008572714	571082328	/nfs/dbraw/zinc/08/23/28/571082328.db2.gz	HSGMGKCWQHZSGO-UHFFFAOYSA-N	-1	1	420.328	4.421	50	0		HIAAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]c2=O)c(C)c1	ZINC000008710330	571104821	/nfs/dbraw/zinc/10/48/21/571104821.db2.gz	RRVRCDVRAKJWMN-UHFFFAOYSA-N	-1	1	419.506	4.316	50	0		HIAAMM
Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000040106679	571167087	/nfs/dbraw/zinc/16/70/87/571167087.db2.gz	XTIDFRIATNIAOB-UHFFFAOYSA-N	-1	1	421.478	4.118	50	0		HIAAMM
CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O	ZINC000008961645	571190084	/nfs/dbraw/zinc/19/00/84/571190084.db2.gz	BMKJNJRHLHKFLE-UHFFFAOYSA-N	-1	1	422.506	4.009	50	0		HIAAMM
CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000009126902	571226662	/nfs/dbraw/zinc/22/66/62/571226662.db2.gz	MBZAPKDPVRARTL-UHFFFAOYSA-N	-1	1	423.494	4.007	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1	ZINC000009172571	571234099	/nfs/dbraw/zinc/23/40/99/571234099.db2.gz	BDPLBKUQCAZGAX-UHFFFAOYSA-N	-1	1	416.543	4.203	50	0		HIAAMM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccccc1F	ZINC000009357896	571251279	/nfs/dbraw/zinc/25/12/79/571251279.db2.gz	MQYIUBLHLNXDDA-ZDLGFXPLSA-N	-1	1	415.446	4.058	50	0		HIAAMM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccccc1F	ZINC000009357896	571251280	/nfs/dbraw/zinc/25/12/80/571251280.db2.gz	MQYIUBLHLNXDDA-ZDLGFXPLSA-N	-1	1	415.446	4.058	50	0		HIAAMM
Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccccc3Cl)n2)cc1	ZINC000009640689	571275574	/nfs/dbraw/zinc/27/55/74/571275574.db2.gz	YBZRXTPWVCGSQX-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(COc4ccccc4C)nc3c2)cc1	ZINC000009730452	571282821	/nfs/dbraw/zinc/28/28/21/571282821.db2.gz	OTSASGXAZFVTIJ-UHFFFAOYSA-N	-1	1	423.494	4.260	50	0		HIAAMM
C=CCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(=O)c2ccccc21	ZINC000005736891	845138634	/nfs/dbraw/zinc/13/86/34/845138634.db2.gz	FTQNOPWSPOHQPX-UHFFFAOYSA-N	-1	1	420.465	4.102	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1	ZINC000005136516	132302559	/nfs/dbraw/zinc/30/25/59/132302559.db2.gz	MUIPHSBGLWOALP-UHFFFAOYSA-N	-1	1	410.495	4.236	50	0		HIAAMM
O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2cccc(Cl)c2)CC1	ZINC000012324569	132358698	/nfs/dbraw/zinc/35/86/98/132358698.db2.gz	XRIKYEVTLZZSAL-IBGZPJMESA-N	-1	1	404.297	4.423	50	0		HIAAMM
O=C(C1CCC1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc21	ZINC000033077456	132502436	/nfs/dbraw/zinc/50/24/36/132502436.db2.gz	IGXWNDSXZDTIEJ-UHFFFAOYSA-N	-1	1	424.566	4.446	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc21	ZINC000032943921	519635571	/nfs/dbraw/zinc/63/55/71/519635571.db2.gz	MSGMHTWSZQFTAC-CQSZACIVSA-N	-1	1	416.568	4.213	50	0		HIAAMM
C[C@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2S1	ZINC000032943998	524460567	/nfs/dbraw/zinc/46/05/67/524460567.db2.gz	NMOBTZIVKQSESE-LBPRGKRZSA-N	-1	1	422.959	4.378	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)cc1	ZINC000032901309	524694447	/nfs/dbraw/zinc/69/44/47/524694447.db2.gz	BHULYKBPCRKUCM-INIZCTEOSA-N	-1	1	422.506	4.087	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1	ZINC000032901310	524694632	/nfs/dbraw/zinc/69/46/32/524694632.db2.gz	BHULYKBPCRKUCM-MRXNPFEDSA-N	-1	1	422.506	4.087	50	0		HIAAMM
Cc1nc(SCc2nc(-c3ccccc3OCc3ccccc3)no2)[n-]c(=O)c1C	ZINC000044169059	527022331	/nfs/dbraw/zinc/02/23/31/527022331.db2.gz	DWPYJOQOTBSYHG-UHFFFAOYSA-N	-1	1	420.494	4.308	50	0		HIAAMM
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1	ZINC000002249138	557331093	/nfs/dbraw/zinc/33/10/93/557331093.db2.gz	CNJPCWJLWYGXFV-UHFFFAOYSA-N	-1	1	419.462	4.336	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)c(C)c1	ZINC000002881066	557419433	/nfs/dbraw/zinc/41/94/33/557419433.db2.gz	SIFGBSVNYIFTPB-UHFFFAOYSA-N	-1	1	400.544	4.285	50	0		HIAAMM
Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)s1	ZINC000010556697	557542124	/nfs/dbraw/zinc/54/21/24/557542124.db2.gz	CVEUMPDOSQQLFE-UHFFFAOYSA-N	-1	1	401.513	4.121	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(F)cccc3F)cc2)cc1	ZINC000004809189	557599763	/nfs/dbraw/zinc/59/97/63/557599763.db2.gz	CKYAGQARLRQHRT-UHFFFAOYSA-N	-1	1	402.422	4.326	50	0		HIAAMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1	ZINC000005480940	557656546	/nfs/dbraw/zinc/65/65/46/557656546.db2.gz	PGRUMBPENWYGGQ-UHFFFAOYSA-N	-1	1	408.479	4.065	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2	ZINC000008346038	557782921	/nfs/dbraw/zinc/78/29/21/557782921.db2.gz	ZXFKJXDXTQBTCR-INIZCTEOSA-N	-1	1	417.506	4.196	50	0		HIAAMM
Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc12	ZINC000012445796	558413715	/nfs/dbraw/zinc/41/37/15/558413715.db2.gz	UURBSGICTZELGU-UHFFFAOYSA-N	-1	1	414.380	4.104	50	0		HIAAMM
O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl	ZINC000021855380	558452503	/nfs/dbraw/zinc/45/25/03/558452503.db2.gz	HXQQOQJBBXCMPS-ZDUSSCGKSA-N	-1	1	420.749	4.459	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)C(F)(F)F	ZINC000013306894	558529936	/nfs/dbraw/zinc/52/99/36/558529936.db2.gz	HRLWZQCWQCVBHL-UHFFFAOYSA-N	-1	1	413.204	4.295	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOc4ccccc43)c2)cc1	ZINC000025177581	558633903	/nfs/dbraw/zinc/63/39/03/558633903.db2.gz	PHRHDFKBAJGXOC-NRFANRHFSA-N	-1	1	422.506	4.049	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOc4ccccc43)cc2)cc1C	ZINC000025312566	558637448	/nfs/dbraw/zinc/63/74/48/558637448.db2.gz	OGPFBGHAYZFPDC-UHFFFAOYSA-N	-1	1	422.506	4.143	50	0		HIAAMM
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1	ZINC000029243776	558712237	/nfs/dbraw/zinc/71/22/37/558712237.db2.gz	DLSMJYLDAYTPIN-IIBYNOLFSA-N	-1	1	424.522	4.476	50	0		HIAAMM
CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	ZINC000033274796	558764541	/nfs/dbraw/zinc/76/45/41/558764541.db2.gz	KFDQQMJQKDIORG-UHFFFAOYSA-N	-1	1	424.925	4.084	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)N1CCCC1	ZINC000016649680	558797737	/nfs/dbraw/zinc/79/77/37/558797737.db2.gz	VNGZIJQWCSXMRH-UHFFFAOYSA-N	-1	1	404.557	4.062	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2OC)s1	ZINC000033007884	558828678	/nfs/dbraw/zinc/82/86/78/558828678.db2.gz	DHAZSLWUYHJCFY-UHFFFAOYSA-N	-1	1	419.528	4.071	50	0		HIAAMM
CCOc1ccc2nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[n-]3)nc(C)c2c1	ZINC000018266515	558835075	/nfs/dbraw/zinc/83/50/75/558835075.db2.gz	JKIHBOKHYLDUHE-UHFFFAOYSA-N	-1	1	415.497	4.371	50	0		HIAAMM
CN(C(=O)C(=C([O-])c1ccc(Cl)cc1Cl)n1ccccc1=O)C1CCCCC1	ZINC000004682117	558894901	/nfs/dbraw/zinc/89/49/01/558894901.db2.gz	ZDZJZANPVODQIY-IBGZPJMESA-N	-1	1	421.324	4.370	50	0		HIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1	ZINC000022412213	558990701	/nfs/dbraw/zinc/99/07/01/558990701.db2.gz	RLVKJXFROFMNNB-UHFFFAOYSA-N	-1	1	409.467	4.334	50	0		HIAAMM
Cc1ccc(Cl)cc1NC(=O)Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1	ZINC000023138085	559018527	/nfs/dbraw/zinc/01/85/27/559018527.db2.gz	ZNNZXNZIKKDHLY-UHFFFAOYSA-N	-1	1	417.893	4.344	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)N1CCCc2ccccc21	ZINC000023138421	559019801	/nfs/dbraw/zinc/01/98/01/559019801.db2.gz	UUXKJRMQKVXDQI-UHFFFAOYSA-N	-1	1	409.486	4.136	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1ccccn1	ZINC000033676887	559227974	/nfs/dbraw/zinc/22/79/74/559227974.db2.gz	ZUIYXGYULYBGSX-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1	ZINC000008977204	560640450	/nfs/dbraw/zinc/64/04/50/560640450.db2.gz	MKZBPCNOGAVKDP-UHFFFAOYSA-N	-1	1	424.522	4.402	50	0		HIAAMM
O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NCCC1=CCCCC1	ZINC000017335331	560709464	/nfs/dbraw/zinc/70/94/64/560709464.db2.gz	SZEUAXGJTZJIKK-UHFFFAOYSA-N	-1	1	416.518	4.176	50	0		HIAAMM
O=S(=O)([N-]c1ccc(I)cc1)c1cccc2ccccc21	ZINC000001111474	560728161	/nfs/dbraw/zinc/72/81/61/560728161.db2.gz	YNWIOYRFSAIIAA-UHFFFAOYSA-N	-1	1	409.248	4.245	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4ccccc43)ccc2C)cc1	ZINC000018107438	560775867	/nfs/dbraw/zinc/77/58/67/560775867.db2.gz	HOELVSRRUUVYRB-UHFFFAOYSA-N	-1	1	405.479	4.008	50	0	aggregator	HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)N5CCC[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827578	560802485	/nfs/dbraw/zinc/80/24/85/560802485.db2.gz	IYFKICIFYJLCIC-INIZCTEOSA-N	-1	1	414.509	4.253	50	0		HIAAMM
CCOc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000102741493	560823692	/nfs/dbraw/zinc/82/36/92/560823692.db2.gz	HEPOAYPHPZOHIU-DNVJHFABSA-N	-1	1	414.461	4.136	50	0	aggregator	HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1ccco1	ZINC000102863201	560832315	/nfs/dbraw/zinc/83/23/15/560832315.db2.gz	BVTUXBLUJIFZQU-AABGKKOBSA-N	-1	1	408.841	4.293	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101282075	560851713	/nfs/dbraw/zinc/85/17/13/560851713.db2.gz	NGHIKTIYHDKEMB-UHFFFAOYSA-N	-1	1	422.488	4.365	50	0		HIAAMM
O=c1c2c(n3c([S-])nnc3n1-c1ccccc1)-c1ccccc1CC21CCCC1	ZINC000005770323	568455330	/nfs/dbraw/zinc/45/53/30/568455330.db2.gz	CHSKEFCIEGTKLK-UHFFFAOYSA-N	-1	1	400.507	4.204	50	0		HIAAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1O	ZINC000095477635	568631321	/nfs/dbraw/zinc/63/13/21/568631321.db2.gz	YWKHDSFZXZXVLQ-DYVFJYSZSA-N	-1	1	403.504	4.319	50	0		HIAAMM
O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc(F)c(Cl)c1)SCC(=O)N2	ZINC000096117104	568696320	/nfs/dbraw/zinc/69/63/20/568696320.db2.gz	UXUJUSFVXXJRKS-OAHLLOKOSA-N	-1	1	413.927	4.224	50	0		HIAAMM
CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1ccccc1OC	ZINC000002664913	568800114	/nfs/dbraw/zinc/80/01/14/568800114.db2.gz	UWRZVISWPHHCFZ-UHFFFAOYSA-N	-1	1	409.467	4.078	50	0		HIAAMM
Cc1ccc(SCCC(=O)OCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000005955260	568832195	/nfs/dbraw/zinc/83/21/95/568832195.db2.gz	RGXKXRYXMVNAAB-UHFFFAOYSA-N	-1	1	413.539	4.275	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)ccc1F	ZINC000012548436	568851622	/nfs/dbraw/zinc/85/16/22/568851622.db2.gz	CIYWWIADXIFDHW-UHFFFAOYSA-N	-1	1	412.486	4.207	50	0		HIAAMM
O=C(NCc1ccco1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000003216217	568862608	/nfs/dbraw/zinc/86/26/08/568862608.db2.gz	PTMUTZFOSPLWFD-UHFFFAOYSA-N	-1	1	424.400	4.029	50	0		HIAAMM
COc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1	ZINC000015352645	568878743	/nfs/dbraw/zinc/87/87/43/568878743.db2.gz	OQQKCICLWPIZEN-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000058031820	568879089	/nfs/dbraw/zinc/87/90/89/568879089.db2.gz	IEEHSICTCSDVIH-OAHLLOKOSA-N	-1	1	413.326	4.189	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Br)c2)cc1	ZINC000003991756	568931371	/nfs/dbraw/zinc/93/13/71/568931371.db2.gz	QHDOEUQUFULPBJ-UHFFFAOYSA-N	-1	1	405.111	4.321	50	0		HIAAMM
CCc1cccc(CC)c1Nc1nc([O-])c(CC(=O)Nc2cccc(C(C)=O)c2)s1	ZINC000007987914	568965551	/nfs/dbraw/zinc/96/55/51/568965551.db2.gz	AJSWAEPJSDKTCY-IBGZPJMESA-N	-1	1	423.538	4.453	50	0		HIAAMM
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc2S1	ZINC000015730490	568980965	/nfs/dbraw/zinc/98/09/65/568980965.db2.gz	HGGHCRDMBHKNBU-VIFPVBQESA-N	-1	1	400.884	4.103	50	0		HIAAMM
CCOc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1	ZINC000013612990	569004768	/nfs/dbraw/zinc/00/47/68/569004768.db2.gz	XYNWRAMNZZGECJ-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000006146454	569014478	/nfs/dbraw/zinc/01/44/78/569014478.db2.gz	CZKBGKCTJUNEAQ-UHFFFAOYSA-N	-1	1	418.421	4.027	50	0		HIAAMM
CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nn2)CC1	ZINC000015882188	569018983	/nfs/dbraw/zinc/01/89/83/569018983.db2.gz	XHHRQCGRNRRLGO-UHFFFAOYSA-N	-1	1	408.527	4.181	50	0		HIAAMM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)cnc1N1CCCCCCC1	ZINC000035397610	569034997	/nfs/dbraw/zinc/03/49/97/569034997.db2.gz	MIUSKSZIFBVSQE-UHFFFAOYSA-N	-1	1	423.922	4.005	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)C[C@@H]1c1ccco1	ZINC000035684056	569049120	/nfs/dbraw/zinc/04/91/20/569049120.db2.gz	WXPHKMMDDNBLGO-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3CC)ccc2OC)n1	ZINC000064580067	569068424	/nfs/dbraw/zinc/06/84/24/569068424.db2.gz	YJUBCZYBENGSEI-UHFFFAOYSA-N	-1	1	401.488	4.061	50	0		HIAAMM
CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1	ZINC000064843953	569107819	/nfs/dbraw/zinc/10/78/19/569107819.db2.gz	VHSHBMCMEVOKBI-UHFFFAOYSA-N	-1	1	419.547	4.330	50	0		HIAAMM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1	ZINC000065115843	569179705	/nfs/dbraw/zinc/17/97/05/569179705.db2.gz	WWLXJKMQDYZTQA-UHFFFAOYSA-N	-1	1	413.499	4.280	50	0		HIAAMM
Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)c1-2	ZINC000007424030	569237990	/nfs/dbraw/zinc/23/79/90/569237990.db2.gz	TXKVERUVDSASRJ-UHFFFAOYSA-N	-1	1	412.371	4.293	50	0		HIAAMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CC2	ZINC000013696535	569257196	/nfs/dbraw/zinc/25/71/96/569257196.db2.gz	UWZFFRIROJNWSH-UHFFFAOYSA-N	-1	1	406.935	4.384	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000007814364	569312543	/nfs/dbraw/zinc/31/25/43/569312543.db2.gz	CGWFRJVMOSBGMK-UHFFFAOYSA-N	-1	1	401.875	4.097	50	0		HIAAMM
CCCCN1CCn2c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3nc2C1	ZINC000019855410	569431220	/nfs/dbraw/zinc/43/12/20/569431220.db2.gz	RCEMITCFQQNINB-UHFFFAOYSA-N	-1	1	418.950	4.106	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]1c1ccco1	ZINC000238882031	571046622	/nfs/dbraw/zinc/04/66/22/571046622.db2.gz	BVTUXBLUJIFZQU-ZCNNSNEGSA-N	-1	1	408.841	4.293	50	0		HIAAMM
Cc1c(Cl)cccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1	ZINC000067298775	571072620	/nfs/dbraw/zinc/07/26/20/571072620.db2.gz	UTCSXAOBMBDJMO-NOAXNCOGSA-N	-1	1	412.873	4.241	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(OC(F)F)c(Cl)c1	ZINC000040152641	571200257	/nfs/dbraw/zinc/20/02/57/571200257.db2.gz	OHVFQXUXIQWTRK-UHFFFAOYSA-N	-1	1	400.790	4.397	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)N1CCCCC1	ZINC000009094995	571220794	/nfs/dbraw/zinc/22/07/94/571220794.db2.gz	UJDUKSBDJAVKSE-UHFFFAOYSA-N	-1	1	424.522	4.275	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1	ZINC000009166184	571232744	/nfs/dbraw/zinc/23/27/44/571232744.db2.gz	AIWHABOFSMKZLN-UHFFFAOYSA-N	-1	1	416.543	4.211	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2OCC(C)(C)C1=O	ZINC000009166412	571232778	/nfs/dbraw/zinc/23/27/78/571232778.db2.gz	DLMBATCKEJSMFS-UHFFFAOYSA-N	-1	1	416.543	4.382	50	0		HIAAMM
Cc1cc([O-])c2c(C)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1	ZINC000009253670	571242884	/nfs/dbraw/zinc/24/28/84/571242884.db2.gz	UUKFCHPVZYKIBC-UHFFFAOYSA-N	-1	1	407.344	4.195	50	0		HIAAMM
C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000009356530	571251251	/nfs/dbraw/zinc/25/12/51/571251251.db2.gz	NNZCKYAQIPZXRT-SFHVURJKSA-N	-1	1	408.523	4.239	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1	ZINC000009403966	571255147	/nfs/dbraw/zinc/25/51/47/571255147.db2.gz	SSZOQHLVTHUJLA-UHFFFAOYSA-N	-1	1	424.507	4.118	50	0		HIAAMM
Cc1nn(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)c2nc(C)cc(C)c12	ZINC000032926225	527532391	/nfs/dbraw/zinc/53/23/91/527532391.db2.gz	PGLAULMILCIVSJ-UHFFFAOYSA-N	-1	1	410.474	4.286	50	0		HIAAMM
CSc1[n-]nc(NC(=O)Nc2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1	ZINC000001037466	557151456	/nfs/dbraw/zinc/15/14/56/557151456.db2.gz	NQLIIYQATVMGGA-UHFFFAOYSA-N	-1	1	422.919	4.262	50	0		HIAAMM
O=C1N(Cc2ccccc2)CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000034669507	557362757	/nfs/dbraw/zinc/36/27/57/557362757.db2.gz	YUPGKOKURPRBOV-UHFFFAOYSA-N	-1	1	421.522	4.320	50	0		HIAAMM
CSc1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1	ZINC000002885315	557421776	/nfs/dbraw/zinc/42/17/76/557421776.db2.gz	QLCAMPGRPJEZMJ-UHFFFAOYSA-N	-1	1	409.949	4.248	50	0		HIAAMM
Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C)cc(=O)[n-]4)cc3)sc2c1	ZINC000004620973	557573596	/nfs/dbraw/zinc/57/35/96/557573596.db2.gz	XELZIPAJEITRRV-UHFFFAOYSA-N	-1	1	422.535	4.394	50	0		HIAAMM
COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000004809354	557599774	/nfs/dbraw/zinc/59/97/74/557599774.db2.gz	OWAWMAQRXZKNKJ-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2	ZINC000007990954	557769190	/nfs/dbraw/zinc/76/91/90/557769190.db2.gz	HLMCILDQHSKZOE-KRWDZBQOSA-N	-1	1	413.543	4.365	50	0		HIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(I)cc1	ZINC000012293408	558366542	/nfs/dbraw/zinc/36/65/42/558366542.db2.gz	ZIFUOSVBRDWNPQ-UHFFFAOYSA-N	-1	1	407.660	4.054	50	0		HIAAMM
O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(Br)o1	ZINC000020737522	558408192	/nfs/dbraw/zinc/40/81/92/558408192.db2.gz	SOIUWHAHHZDQLR-UHFFFAOYSA-N	-1	1	400.188	4.203	50	0		HIAAMM
Cc1cc([O-])c(C2=NCCS[C@H](c3cc(Cl)cc(Cl)c3O)C2)c(=O)o1	ZINC000005441411	558466632	/nfs/dbraw/zinc/46/66/32/558466632.db2.gz	VDWMOPQIXKHBRF-AWEZNQCLSA-N	-1	1	400.283	4.334	50	0		HIAAMM
CCc1ccc(-c2csc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)n2)cc1	ZINC000012797746	558470004	/nfs/dbraw/zinc/47/00/04/558470004.db2.gz	DGCDGIFITQIZRI-UHFFFAOYSA-N	-1	1	414.556	4.057	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc1	ZINC000013058934	558509518	/nfs/dbraw/zinc/50/95/18/558509518.db2.gz	UFESBWPFEWWREI-UHFFFAOYSA-N	-1	1	410.543	4.425	50	0		HIAAMM
CCc1c([O-])nc(SCC(=O)Nc2ccccc2C)n(C2CCCCC2)c1=O	ZINC000013957323	558607960	/nfs/dbraw/zinc/60/79/60/558607960.db2.gz	YRXWVTSFFPVKIL-UHFFFAOYSA-N	-1	1	401.532	4.056	50	0		HIAAMM
CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C1CC1	ZINC000024749028	558610042	/nfs/dbraw/zinc/61/00/42/558610042.db2.gz	GVQZQRPZVCYWOT-UHFFFAOYSA-N	-1	1	413.326	4.419	50	0		HIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1	ZINC000033274816	558764563	/nfs/dbraw/zinc/76/45/63/558764563.db2.gz	QJEDAOUUAKIPQU-UHFFFAOYSA-N	-1	1	412.555	4.276	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1	ZINC000016651081	558798020	/nfs/dbraw/zinc/79/80/20/558798020.db2.gz	FICNBZVJKQZSMM-UHFFFAOYSA-N	-1	1	422.597	4.167	50	0		HIAAMM
O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)c1ccccc1	ZINC000033007630	558828540	/nfs/dbraw/zinc/82/85/40/558828540.db2.gz	BJXJURCLYOAVTA-UHFFFAOYSA-N	-1	1	409.492	4.349	50	0		HIAAMM
CCOc1ccc2nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)nc(C)c2c1	ZINC000018084920	558830817	/nfs/dbraw/zinc/83/08/17/558830817.db2.gz	UDRHODIBQPWHOF-UHFFFAOYSA-N	-1	1	401.470	4.063	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(Cl)cc1Cl	ZINC000018106607	558831229	/nfs/dbraw/zinc/83/12/29/558831229.db2.gz	AYUAXYCBRQDSSS-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
CC[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000033019242	558836183	/nfs/dbraw/zinc/83/61/83/558836183.db2.gz	VSYZJGKQSXVRGK-INIZCTEOSA-N	-1	1	408.470	4.170	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccccc3F)csc21	ZINC000048988950	558847608	/nfs/dbraw/zinc/84/76/08/558847608.db2.gz	MALNFUMCDMFHCM-UHFFFAOYSA-N	-1	1	424.476	4.256	50	0		HIAAMM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CCC(=O)Nc1ccccc1-c1ccccc1	ZINC000058047881	558896783	/nfs/dbraw/zinc/89/67/83/558896783.db2.gz	UBVRWMMBFNOJKX-UHFFFAOYSA-N	-1	1	410.477	4.379	50	0		HIAAMM
COc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1	ZINC000033276416	559036175	/nfs/dbraw/zinc/03/61/75/559036175.db2.gz	BTHIWWVNOSQKCS-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOC2CCCCC2)c1	ZINC000011356108	559060656	/nfs/dbraw/zinc/06/06/56/559060656.db2.gz	ZNUZDDYJLUDRMN-UHFFFAOYSA-N	-1	1	402.564	4.162	50	0		HIAAMM
O=c1[n-]nc(Sc2cc(C(F)(F)F)ccn2)n1-c1ccccc1C(F)(F)F	ZINC000095626668	559087574	/nfs/dbraw/zinc/08/75/74/559087574.db2.gz	FHAUOCZLYAGQLZ-UHFFFAOYSA-N	-1	1	406.311	4.144	50	0		HIAAMM
Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000005137240	559250109	/nfs/dbraw/zinc/25/01/09/559250109.db2.gz	JXUWWKFJDOYTNN-UHFFFAOYSA-N	-1	1	412.458	4.057	50	0		HIAAMM
C[C@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000011902924	559265785	/nfs/dbraw/zinc/26/57/85/559265785.db2.gz	CUXODPNSUWHBIF-AWEZNQCLSA-N	-1	1	407.495	4.170	50	0		HIAAMM
CCC(CC)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000012009052	559271070	/nfs/dbraw/zinc/27/10/70/559271070.db2.gz	QYYWQXKQSGOQAA-UHFFFAOYSA-N	-1	1	417.469	4.257	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1	ZINC000136135637	559276677	/nfs/dbraw/zinc/27/66/77/559276677.db2.gz	MEVRTFYDNMFGDA-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)cn2n1	ZINC000011693567	560773790	/nfs/dbraw/zinc/77/37/90/560773790.db2.gz	WAZVGNQZWKQHIB-UHFFFAOYSA-N	-1	1	422.510	4.131	50	0		HIAAMM
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000102706668	560820645	/nfs/dbraw/zinc/82/06/45/560820645.db2.gz	WSIPDBWUZFVXNM-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1cccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)c1C	ZINC000006818483	568459567	/nfs/dbraw/zinc/45/95/67/568459567.db2.gz	SVESCEJAFJOSEQ-LJQANCHMSA-N	-1	1	400.525	4.023	50	0		HIAAMM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1	ZINC000096117295	568696689	/nfs/dbraw/zinc/69/66/89/568696689.db2.gz	JSCGZDONLPNYBY-ACJLOTCBSA-N	-1	1	417.531	4.210	50	0		HIAAMM
COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096221518	568705282	/nfs/dbraw/zinc/70/52/82/568705282.db2.gz	MPIKOVFPIHOETH-OAHLLOKOSA-N	-1	1	415.401	4.361	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1	ZINC000021705381	568744376	/nfs/dbraw/zinc/74/43/76/568744376.db2.gz	RYVMBPNIHAEMGO-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)[nH]n2)cc1	ZINC000005827295	568824631	/nfs/dbraw/zinc/82/46/31/568824631.db2.gz	KFQIWFCDRIHTBS-UHFFFAOYSA-N	-1	1	406.305	4.257	50	0		HIAAMM
COc1ccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)cc1	ZINC000012604529	568870656	/nfs/dbraw/zinc/87/06/56/568870656.db2.gz	CGOBDUIYWKAWSI-UHFFFAOYSA-N	-1	1	424.522	4.294	50	0		HIAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000003330298	568881803	/nfs/dbraw/zinc/88/18/03/568881803.db2.gz	RSQZPGCXDGWXCP-UHFFFAOYSA-N	-1	1	407.797	4.336	50	0		HIAAMM
Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(=O)c1-2	ZINC000015391735	568885199	/nfs/dbraw/zinc/88/51/99/568885199.db2.gz	MLRYCLMBGPPFJF-AWEZNQCLSA-N	-1	1	416.456	4.143	50	0		HIAAMM
COc1cc2c(cc1NC(=O)Cc1sc(N3CCCC3)nc1[O-])oc1ccccc12	ZINC000003433361	568902228	/nfs/dbraw/zinc/90/22/28/568902228.db2.gz	FQDQUDXZLWXHFP-IBGZPJMESA-N	-1	1	423.494	4.017	50	0		HIAAMM
CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)NCc3ccccc3)[n-]c(=O)c21	ZINC000001407736	568928443	/nfs/dbraw/zinc/92/84/43/568928443.db2.gz	HEQVCPOWKJZJLR-DEOSSOPVSA-N	-1	1	419.550	4.069	50	0		HIAAMM
O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)[C@@H]1COc2ccccc2O1	ZINC000004088379	568941275	/nfs/dbraw/zinc/94/12/75/568941275.db2.gz	YBTYYMMJJMOTHB-IBGZPJMESA-N	-1	1	404.447	4.447	50	0		HIAAMM
O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1[O-])Nc1ccc2ccccc2c1	ZINC000008157107	568978546	/nfs/dbraw/zinc/97/85/46/568978546.db2.gz	MPOHQHPJXYXHOL-LJQANCHMSA-N	-1	1	414.490	4.328	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1	ZINC000012825584	569009292	/nfs/dbraw/zinc/00/92/92/569009292.db2.gz	JDRMBQVIPJXOOG-UHFFFAOYSA-N	-1	1	402.907	4.126	50	0		HIAAMM
Cc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(SCc3ccc(Cl)cc3)n2)cc1	ZINC000006121954	569009539	/nfs/dbraw/zinc/00/95/39/569009539.db2.gz	JGKQGMGYTPLBFT-UHFFFAOYSA-N	-1	1	421.931	4.237	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)C)c2)cc1Cl	ZINC000017128441	569017065	/nfs/dbraw/zinc/01/70/65/569017065.db2.gz	MHEAKMQCBDBAAM-UHFFFAOYSA-N	-1	1	415.342	4.488	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1OC	ZINC000015942540	569024268	/nfs/dbraw/zinc/02/42/68/569024268.db2.gz	RJJZXEAQEMTTKE-UHFFFAOYSA-N	-1	1	400.456	4.037	50	0		HIAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000016196064	569029752	/nfs/dbraw/zinc/02/97/52/569029752.db2.gz	HCVFMVWDRQPTIZ-LSCVHKIXSA-N	-1	1	413.495	4.141	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Nc3ccccc3F)c2)cc1	ZINC000006623373	569075061	/nfs/dbraw/zinc/07/50/61/569075061.db2.gz	JVYYFEPPXRSBNE-UHFFFAOYSA-N	-1	1	415.446	4.279	50	0		HIAAMM
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000006623391	569075100	/nfs/dbraw/zinc/07/51/00/569075100.db2.gz	MIBSSVKJLBAYRB-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1	ZINC000006623481	569075134	/nfs/dbraw/zinc/07/51/34/569075134.db2.gz	DRWLGBILQUPSKF-UHFFFAOYSA-N	-1	1	402.422	4.326	50	0		HIAAMM
CCCN(CCC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1	ZINC000064843755	569107710	/nfs/dbraw/zinc/10/77/10/569107710.db2.gz	IOSQPUBNACVAKL-UHFFFAOYSA-N	-1	1	419.547	4.330	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)cc(OC)c1	ZINC000006887626	569170798	/nfs/dbraw/zinc/17/07/98/569170798.db2.gz	SQFMGKCZIOAUQV-UHFFFAOYSA-N	-1	1	400.500	4.255	50	0		HIAAMM
CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c(C)n2CC)o1	ZINC000065186598	569192247	/nfs/dbraw/zinc/19/22/47/569192247.db2.gz	ATLDBMNMTDEWDB-UHFFFAOYSA-N	-1	1	402.520	4.155	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1	ZINC000013696485	569257206	/nfs/dbraw/zinc/25/72/06/569257206.db2.gz	GPNQJOYUMZLOPX-UHFFFAOYSA-N	-1	1	400.544	4.375	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1	ZINC000014200243	569258950	/nfs/dbraw/zinc/25/89/50/569258950.db2.gz	ZTIDTVPWEYPHSU-UHFFFAOYSA-N	-1	1	418.425	4.266	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@H]2[C@H]1c1ccc(F)cc1	ZINC000238882263	571046502	/nfs/dbraw/zinc/04/65/02/571046502.db2.gz	CYSKHBCHNLYEME-BDTNDASRSA-N	-1	1	402.425	4.185	50	0		HIAAMM
Cc1ccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)cc1C	ZINC000039383686	571131643	/nfs/dbraw/zinc/13/16/43/571131643.db2.gz	RRCGMVIHXFNUBS-UHFFFAOYSA-N	-1	1	404.518	4.132	50	0		HIAAMM
CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C1=O	ZINC000008961127	571189461	/nfs/dbraw/zinc/18/94/61/571189461.db2.gz	FHEOECDEJJKLPC-UHFFFAOYSA-N	-1	1	412.442	4.399	50	0		HIAAMM
O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)C=C2)c1ccc(C2CCCCC2)cc1	ZINC000040146643	571196389	/nfs/dbraw/zinc/19/63/89/571196389.db2.gz	WVNCSRBWLQWHNF-UHFFFAOYSA-N	-1	1	403.525	4.293	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc2OCC(C)(C)C1=O	ZINC000009166508	571232920	/nfs/dbraw/zinc/23/29/20/571232920.db2.gz	LWIUVIHQIFHSIJ-UHFFFAOYSA-N	-1	1	422.934	4.221	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C[C@H]1c1ccco1	ZINC000009203313	571236349	/nfs/dbraw/zinc/23/63/49/571236349.db2.gz	FVBPXGOQSONPQB-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
COC(=O)c1cc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)ccc1Cl	ZINC000009361083	571251579	/nfs/dbraw/zinc/25/15/79/571251579.db2.gz	IZYGYUJDQINTKP-OVCLIPMQSA-N	-1	1	419.846	4.031	50	0		HIAAMM
COC(=O)c1cc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)ccc1Cl	ZINC000009361083	571251580	/nfs/dbraw/zinc/25/15/80/571251580.db2.gz	IZYGYUJDQINTKP-OVCLIPMQSA-N	-1	1	419.846	4.031	50	0		HIAAMM
Cc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21	ZINC000009640878	571275698	/nfs/dbraw/zinc/27/56/98/571275698.db2.gz	FWOXGRGVXWWHQF-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
COc1ccc(Cl)cc1CN(C)C(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000010279890	571299293	/nfs/dbraw/zinc/29/92/93/571299293.db2.gz	CJTZRNKJOFQGTN-UHFFFAOYSA-N	-1	1	416.934	4.237	50	0		HIAAMM
CC[C@H](NC(=O)Cc1n[n-]c(=S)n1Cc1ccccc1)c1ccc(Cl)cc1	ZINC000010423661	571302306	/nfs/dbraw/zinc/30/23/06/571302306.db2.gz	HMHQUDTZPNKSRJ-KRWDZBQOSA-N	-1	1	400.935	4.452	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000010490076	571303771	/nfs/dbraw/zinc/30/37/71/571303771.db2.gz	GNJRWNWAXUCXQI-UHFFFAOYSA-N	-1	1	406.870	4.438	50	0		HIAAMM
CCOC(=O)c1ccc(NC(=O)c2c([O-])n(CCC(C)C)c3ccccc3c2=O)cc1	ZINC000005791041	845142384	/nfs/dbraw/zinc/14/23/84/845142384.db2.gz	WJUUVTIAWUGCGD-UHFFFAOYSA-N	-1	1	422.481	4.182	50	0		HIAAMM
CCCCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OCCC)c(=O)c2ccccc21	ZINC000005890753	845151022	/nfs/dbraw/zinc/15/10/22/845151022.db2.gz	LQMCRNWRPCAZIM-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21	ZINC000005136552	132302759	/nfs/dbraw/zinc/30/27/59/132302759.db2.gz	VAXBATRXQBZKDC-UHFFFAOYSA-N	-1	1	416.499	4.281	50	0		HIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)S2	ZINC000032944017	521912569	/nfs/dbraw/zinc/91/25/69/521912569.db2.gz	RLULBTKEZVONKA-AWEZNQCLSA-N	-1	1	416.568	4.287	50	0		HIAAMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CCS2	ZINC000032943964	524756516	/nfs/dbraw/zinc/75/65/16/524756516.db2.gz	XVXAGWVCRMTQOD-UHFFFAOYSA-N	-1	1	422.959	4.298	50	0		HIAAMM
Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000032930127	525095595	/nfs/dbraw/zinc/09/55/95/525095595.db2.gz	CKFLENYIKYWFQE-UHFFFAOYSA-N	-1	1	419.506	4.458	50	0		HIAAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2occc2COc2ccccc2)CC1	ZINC000032898965	526703681	/nfs/dbraw/zinc/70/36/81/526703681.db2.gz	NZAOPSHMWBVLJD-UHFFFAOYSA-N	-1	1	405.450	4.299	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccc(F)cc3)csc21	ZINC000048986603	527439463	/nfs/dbraw/zinc/43/94/63/527439463.db2.gz	BRXCLECFZLZVCU-UHFFFAOYSA-N	-1	1	424.476	4.256	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccncc2)cc1OC	ZINC000000876759	557108150	/nfs/dbraw/zinc/10/81/50/557108150.db2.gz	MNZTZIJCYSPQEP-RWEWTDSWSA-N	-1	1	417.421	4.035	50	0		HIAAMM
O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000000991288	557134768	/nfs/dbraw/zinc/13/47/68/557134768.db2.gz	JCVBPWSYZLQWJH-LIKPIUCQSA-N	-1	1	401.849	4.442	50	0		HIAAMM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000004071087	557509726	/nfs/dbraw/zinc/50/97/26/557509726.db2.gz	IMBZULOOGXFZSO-XPWALMASSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCOC(=O)CCCCCCCCC(=O)Nc1ccc(-n2[n-]c(=O)cc2C)cc1	ZINC000004582288	557569815	/nfs/dbraw/zinc/56/98/15/557569815.db2.gz	OZKVZZMYKLFYFM-UHFFFAOYSA-N	-1	1	401.507	4.096	50	0		HIAAMM
O=C(Nc1ccccc1O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000022024269	558458841	/nfs/dbraw/zinc/45/88/41/558458841.db2.gz	RDWWCTDTVZBAAZ-UHFFFAOYSA-N	-1	1	402.859	4.099	50	0		HIAAMM
Cn1cnc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc3c(c2)CCCC3)c1Cl	ZINC000027965470	558685302	/nfs/dbraw/zinc/68/53/02/558685302.db2.gz	HCVYOTUNNGMHQK-KRWDZBQOSA-N	-1	1	421.975	4.082	50	0		HIAAMM
CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1	ZINC000033274568	558764038	/nfs/dbraw/zinc/76/40/38/558764038.db2.gz	KOGDHIHQDSDPGA-HNNXBMFYSA-N	-1	1	420.962	4.396	50	0		HIAAMM
CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1	ZINC000033274842	558764538	/nfs/dbraw/zinc/76/45/38/558764538.db2.gz	NTJKXBJUDZSBSM-UHFFFAOYSA-N	-1	1	420.962	4.397	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1Cl	ZINC000033274797	558764567	/nfs/dbraw/zinc/76/45/67/558764567.db2.gz	FUYLIHKULAVUIK-UHFFFAOYSA-N	-1	1	420.962	4.253	50	0		HIAAMM
CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1	ZINC000033274883	558764944	/nfs/dbraw/zinc/76/49/44/558764944.db2.gz	CDWBBOVIPXFHSE-UHFFFAOYSA-N	-1	1	414.571	4.343	50	0		HIAAMM
CCc1c(C)sc2[n-]c(=S)n(NC(=O)c3csc4c3CCCC4)c(=O)c12	ZINC000017083258	558815706	/nfs/dbraw/zinc/81/57/06/558815706.db2.gz	YPTHQOSCCZWTGW-UHFFFAOYSA-N	-1	1	405.570	4.316	50	0		HIAAMM
O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000017975676	558828992	/nfs/dbraw/zinc/82/89/92/558828992.db2.gz	JCVBPWSYZLQWJH-JQBYJRRVSA-N	-1	1	401.849	4.442	50	0		HIAAMM
O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784870	558949787	/nfs/dbraw/zinc/94/97/87/558949787.db2.gz	XHXQRAKVPBXKTJ-OAHLLOKOSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C1C[C@@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784866	558949883	/nfs/dbraw/zinc/94/98/83/558949883.db2.gz	XHXQRAKVPBXKTJ-HNNXBMFYSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCc1ccc(Cl)cc1	ZINC000023138415	559019782	/nfs/dbraw/zinc/01/97/82/559019782.db2.gz	PUMHURKMKXBJJL-UHFFFAOYSA-N	-1	1	417.893	4.126	50	0		HIAAMM
O=S(=O)([N-]Cc1cccs1)c1c(Cl)cc(Br)cc1Cl	ZINC000023862443	559181422	/nfs/dbraw/zinc/18/14/22/559181422.db2.gz	YHNLZUFZLWTKFV-UHFFFAOYSA-N	-1	1	401.134	4.296	50	0		HIAAMM
O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100735063	559260757	/nfs/dbraw/zinc/26/07/57/559260757.db2.gz	AMUMQYGPZWXRAT-PZJWPPBQSA-N	-1	1	401.853	4.123	50	0		HIAAMM
O=C(Nc1nc2ccccc2s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000005184755	559290549	/nfs/dbraw/zinc/29/05/49/559290549.db2.gz	DFUIWAXLIVEVNV-UHFFFAOYSA-N	-1	1	409.492	4.349	50	0		HIAAMM
O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1cc(Cl)sc1Cl	ZINC000062022980	560567585	/nfs/dbraw/zinc/56/75/85/560567585.db2.gz	FIYKXEGCOJRJJD-SECBINFHSA-N	-1	1	423.281	4.211	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(-c2ccccc2)cc1	ZINC000017360454	560711525	/nfs/dbraw/zinc/71/15/25/560711525.db2.gz	HJFZQNGWMQTVPU-UHFFFAOYSA-N	-1	1	422.506	4.096	50	0		HIAAMM
COC(=O)CCSc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2	ZINC000018036348	560773024	/nfs/dbraw/zinc/77/30/24/560773024.db2.gz	AIBSJYRYVKCZOS-HSZRJFAPSA-N	-1	1	412.555	4.486	50	0		HIAAMM
CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c1=O	ZINC000101495284	560796274	/nfs/dbraw/zinc/79/62/74/560796274.db2.gz	KYVDGAQHQTXTEC-LJQANCHMSA-N	-1	1	421.522	4.400	50	0		HIAAMM
CCCCC1CCC(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[n-]2)CC1	ZINC000012126781	560889659	/nfs/dbraw/zinc/88/96/59/560889659.db2.gz	FSTMDRDCWNPKGL-UHFFFAOYSA-N	-1	1	411.550	4.385	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(C)o1	ZINC000046085335	568427991	/nfs/dbraw/zinc/42/79/91/568427991.db2.gz	XUKMKGMLANSUPV-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2Cl)n[n-]1	ZINC000095116155	568596077	/nfs/dbraw/zinc/59/60/77/568596077.db2.gz	TUIMUVAYNBYADF-UHFFFAOYSA-N	-1	1	402.690	4.406	50	0		HIAAMM
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1n[n-]c(-c2ccccc2Cl)n1	ZINC000095116155	568596078	/nfs/dbraw/zinc/59/60/78/568596078.db2.gz	TUIMUVAYNBYADF-UHFFFAOYSA-N	-1	1	402.690	4.406	50	0		HIAAMM
CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2C1	ZINC000095466288	568624140	/nfs/dbraw/zinc/62/41/40/568624140.db2.gz	QZJFOWOTCHOHRP-UHFFFAOYSA-N	-1	1	402.413	4.369	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc(OC)c1	ZINC000021033938	568659447	/nfs/dbraw/zinc/65/94/47/568659447.db2.gz	RCLNSNZXJMJURO-UHFFFAOYSA-N	-1	1	414.483	4.345	50	0		HIAAMM
O=C1C[C@@H](c2ccccc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096115035	568694644	/nfs/dbraw/zinc/69/46/44/568694644.db2.gz	YYNBYINOVSUQTL-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccccc1)CC(=O)O2	ZINC000096115035	568694648	/nfs/dbraw/zinc/69/46/48/568694648.db2.gz	YYNBYINOVSUQTL-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=C1C[C@@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096116374	568695711	/nfs/dbraw/zinc/69/57/11/568695711.db2.gz	BSMXJLCVUSCQJV-AWEZNQCLSA-N	-1	1	406.415	4.374	50	0		HIAAMM
O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1	ZINC000096116374	568695712	/nfs/dbraw/zinc/69/57/12/568695712.db2.gz	BSMXJLCVUSCQJV-AWEZNQCLSA-N	-1	1	406.415	4.374	50	0		HIAAMM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1	ZINC000096117297	568696673	/nfs/dbraw/zinc/69/66/73/568696673.db2.gz	JSCGZDONLPNYBY-FZKQIMNGSA-N	-1	1	417.531	4.210	50	0		HIAAMM
CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc([S-])n12	ZINC000005791219	568733630	/nfs/dbraw/zinc/73/36/30/568733630.db2.gz	XLQHGPHCSKHJQY-HSZRJFAPSA-N	-1	1	402.523	4.119	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccccc1	ZINC000244741878	568735668	/nfs/dbraw/zinc/73/56/68/568735668.db2.gz	NYINATMVWNAHFI-BDTNDASRSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21	ZINC000096399785	568749069	/nfs/dbraw/zinc/74/90/69/568749069.db2.gz	LFODGYQPQNEVGF-UHFFFAOYSA-N	-1	1	412.433	4.195	50	0		HIAAMM
CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1	ZINC000086056879	568753812	/nfs/dbraw/zinc/75/38/12/568753812.db2.gz	AXCULYAGAPFKOW-GOSISDBHSA-N	-1	1	421.522	4.325	50	0		HIAAMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1	ZINC000028241218	568783283	/nfs/dbraw/zinc/78/32/83/568783283.db2.gz	VUNOHNGYWDRYEG-UHFFFAOYSA-N	-1	1	402.497	4.014	50	0		HIAAMM
CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000012584928	568865939	/nfs/dbraw/zinc/86/59/39/568865939.db2.gz	ASAIWBHGBXUAMB-UHFFFAOYSA-N	-1	1	401.315	4.276	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)cc1	ZINC000012604775	568870790	/nfs/dbraw/zinc/87/07/90/568870790.db2.gz	CWOQQUURGYVBTM-IAGOWNOFSA-N	-1	1	400.544	4.222	50	0		HIAAMM
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000012605400	568870908	/nfs/dbraw/zinc/87/09/08/568870908.db2.gz	DNXZPMJEJHOPHQ-UHFFFAOYSA-N	-1	1	414.914	4.413	50	0		HIAAMM
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000058031812	568878999	/nfs/dbraw/zinc/87/89/99/568878999.db2.gz	IEEHSICTCSDVIH-HNNXBMFYSA-N	-1	1	413.326	4.189	50	0		HIAAMM
COC(=O)c1ccc(Sc2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)nc1	ZINC000003997488	568931934	/nfs/dbraw/zinc/93/19/34/568931934.db2.gz	JPQRERFEGCTQDG-UHFFFAOYSA-N	-1	1	414.508	4.129	50	0	aggregator	HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCCCCC1	ZINC000008405084	569001238	/nfs/dbraw/zinc/00/12/38/569001238.db2.gz	RLMAQOHAWYZFOA-UHFFFAOYSA-N	-1	1	422.934	4.166	50	0		HIAAMM
O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000006146805	569014557	/nfs/dbraw/zinc/01/45/57/569014557.db2.gz	WDDIASDZRDWUSL-UHFFFAOYSA-N	-1	1	408.470	4.218	50	0		HIAAMM
CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2s1	ZINC000015870093	569017138	/nfs/dbraw/zinc/01/71/38/569017138.db2.gz	QROCPGMCAZFUHD-UHFFFAOYSA-N	-1	1	403.529	4.353	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2s1	ZINC000015870432	569017267	/nfs/dbraw/zinc/01/72/67/569017267.db2.gz	ITFDJLUODVMLEU-UHFFFAOYSA-N	-1	1	411.455	4.114	50	0		HIAAMM
Cn1c([O-])c(C(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)c(=O)c2ccccc21	ZINC000575443169	569028381	/nfs/dbraw/zinc/02/83/81/569028381.db2.gz	KGXKWZYLWAMHFV-MRXNPFEDSA-N	-1	1	421.884	4.186	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1	ZINC000064610819	569071314	/nfs/dbraw/zinc/07/13/14/569071314.db2.gz	KFRYYWYMXUVUSL-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
COc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)c1O	ZINC000006748434	569108561	/nfs/dbraw/zinc/10/85/61/569108561.db2.gz	IXISGVGCIYWYMS-UHFFFAOYSA-N	-1	1	401.216	4.022	50	0		HIAAMM
CCc1nnc([N-]C(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1	ZINC000006748102	569108564	/nfs/dbraw/zinc/10/85/64/569108564.db2.gz	RALCBLLGMBTIHZ-UHFFFAOYSA-N	-1	1	409.899	4.228	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1F	ZINC000065021088	569154271	/nfs/dbraw/zinc/15/42/71/569154271.db2.gz	GRADYRVRRMQDQT-UHFFFAOYSA-N	-1	1	404.507	4.215	50	0		HIAAMM
Cc1cccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1C	ZINC000036398055	569171240	/nfs/dbraw/zinc/17/12/40/569171240.db2.gz	HELJPASMFFFKED-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
Cc1c2cc(C)ccc2oc1-c1noc(C[N-]S(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000065097181	569176591	/nfs/dbraw/zinc/17/65/91/569176591.db2.gz	GERFEYFVCGYADI-UHFFFAOYSA-N	-1	1	417.874	4.232	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1ccncc1	ZINC000524729721	569211880	/nfs/dbraw/zinc/21/18/80/569211880.db2.gz	GQONJKGFWFTFAV-HNNXBMFYSA-N	-1	1	415.401	4.010	50	0		HIAAMM
Cc1cn2cc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc2n1	ZINC000170612594	569246523	/nfs/dbraw/zinc/24/65/23/569246523.db2.gz	AKNJZBZTQLXCTD-UHFFFAOYSA-N	-1	1	420.494	4.004	50	0		HIAAMM
CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1	ZINC000007548212	569249030	/nfs/dbraw/zinc/24/90/30/569249030.db2.gz	WLSXFGYNVPUKNB-UHFFFAOYSA-N	-1	1	411.410	4.203	50	0		HIAAMM
COc1cc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)c(C)o2)cc(OC)c1OC	ZINC000016841318	569264521	/nfs/dbraw/zinc/26/45/21/569264521.db2.gz	DPTVFOOEOLXYPU-UHFFFAOYSA-N	-1	1	417.487	4.081	50	0		HIAAMM
CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252487905	569289284	/nfs/dbraw/zinc/28/92/84/569289284.db2.gz	IDVVTKSEKSNDOQ-FQEVSTJZSA-N	-1	1	423.494	4.168	50	0		HIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OCCOCCOc2ccccc2)cc1	ZINC000027531588	569366836	/nfs/dbraw/zinc/36/68/36/569366836.db2.gz	APMYJOVCWTUJMS-NBVRZTHBSA-N	-1	1	401.509	4.490	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1	ZINC000079076318	569427013	/nfs/dbraw/zinc/42/70/13/569427013.db2.gz	WRMDOFKLCCBYMR-UHFFFAOYSA-N	-1	1	408.405	4.279	50	0		HIAAMM
Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC(C)(C)C)CC2)nc3=O)c1	ZINC000067245915	571054360	/nfs/dbraw/zinc/05/43/60/571054360.db2.gz	PSRLWXHLFRKQJT-UHFFFAOYSA-N	-1	1	424.570	4.091	50	0		HIAAMM
Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc3c(c2)OCO3)nc1	ZINC000067294286	571069745	/nfs/dbraw/zinc/06/97/45/571069745.db2.gz	UFQHHPQRUVIUAD-BZZOAKBMSA-N	-1	1	415.405	4.055	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)c(Cl)c1	ZINC000067298685	571072495	/nfs/dbraw/zinc/07/24/95/571072495.db2.gz	MSTOIVSGPIPIPB-RPKJYVOXSA-N	-1	1	416.836	4.072	50	0		HIAAMM
COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)nn1	ZINC000008610129	571093952	/nfs/dbraw/zinc/09/39/52/571093952.db2.gz	UFZUYMURZTUJLW-UHFFFAOYSA-N	-1	1	403.891	4.223	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1	ZINC000008977271	571198187	/nfs/dbraw/zinc/19/81/87/571198187.db2.gz	HMAUIVWUHCFUNK-UHFFFAOYSA-N	-1	1	412.536	4.056	50	0		HIAAMM
Cc1ccc([C@H](C)N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)s1	ZINC000040155949	571203270	/nfs/dbraw/zinc/20/32/70/571203270.db2.gz	QAJYEVVBMNEPFW-HNNXBMFYSA-N	-1	1	415.540	4.086	50	0		HIAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)n1	ZINC000008988704	571206295	/nfs/dbraw/zinc/20/62/95/571206295.db2.gz	AXUXYVLUMQXDST-HXUWFJFHSA-N	-1	1	409.511	4.203	50	0		HIAAMM
CCCN1c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2OCC(C)(C)C1=O	ZINC000009171747	571234070	/nfs/dbraw/zinc/23/40/70/571234070.db2.gz	ODXZPHCGRSPALH-UHFFFAOYSA-N	-1	1	422.934	4.302	50	0		HIAAMM
Cc1ccc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000009588397	571271595	/nfs/dbraw/zinc/27/15/95/571271595.db2.gz	RVNBVBUFBBXZMX-UHFFFAOYSA-N	-1	1	420.412	4.465	50	0		HIAAMM
CCOc1ccc(Nc2nnc(SCC(=O)c3ccc([O-])cc3O)s2)cc1	ZINC000009638664	571275403	/nfs/dbraw/zinc/27/54/03/571275403.db2.gz	IGVPAICNGOEHDB-UHFFFAOYSA-N	-1	1	403.485	4.067	50	0		HIAAMM
COc1ccc(C)cc1CN(C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S	ZINC000009918777	571290163	/nfs/dbraw/zinc/29/01/63/571290163.db2.gz	SNHLOEYPFRYAIJ-UHFFFAOYSA-N	-1	1	410.543	4.282	50	0		HIAAMM
COc1ccc(/C=C\C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000098007636	852650923	/nfs/dbraw/zinc/65/09/23/852650923.db2.gz	DBUIHUYCOATPQV-PTNGSMBKSA-N	-1	1	422.506	4.456	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc21	ZINC000006893078	132319840	/nfs/dbraw/zinc/31/98/40/132319840.db2.gz	FDNCKTIWMXHROZ-LBPRGKRZSA-N	-1	1	410.948	4.296	50	0		HIAAMM
CC(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1	ZINC000032585710	519037331	/nfs/dbraw/zinc/03/73/31/519037331.db2.gz	NRLNQBWTQAXXSF-UHFFFAOYSA-N	-1	1	418.334	4.307	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21	ZINC000032943899	519635100	/nfs/dbraw/zinc/63/51/00/519635100.db2.gz	IXBPXWKZNKBWLL-SNVBAGLBSA-N	-1	1	414.911	4.127	50	0		HIAAMM
CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCC1	ZINC000040454918	523964126	/nfs/dbraw/zinc/96/41/26/523964126.db2.gz	WAROGQFSRGGMAP-SFHVURJKSA-N	-1	1	414.571	4.441	50	0		HIAAMM
Cc1ccc(-c2cnc(CCC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)o2)cc1	ZINC000032898963	525767336	/nfs/dbraw/zinc/76/73/36/525767336.db2.gz	FYIMSNFTVALOHI-UHFFFAOYSA-N	-1	1	418.493	4.410	50	0		HIAAMM
O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2F)cc1	ZINC000040287275	526376344	/nfs/dbraw/zinc/37/63/44/526376344.db2.gz	CDXBGQPHJJJVPP-GOSISDBHSA-N	-1	1	414.824	4.080	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(Cl)cc1	ZINC000020554863	527251622	/nfs/dbraw/zinc/25/16/22/527251622.db2.gz	SYPPIUGXXWTDCD-UHFFFAOYSA-N	-1	1	414.918	4.198	50	0		HIAAMM
O=S(=O)([N-]c1cccc(/C=C/c2ccccn2)c1)c1ccc2c(c1)OCCCO2	ZINC000007054627	527252233	/nfs/dbraw/zinc/25/22/33/527252233.db2.gz	ULLTYHGEGLFQJI-CMDGGOBGSA-N	-1	1	408.479	4.214	50	0		HIAAMM
O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)c(Cl)c1	ZINC000032776755	527253505	/nfs/dbraw/zinc/25/35/05/527253505.db2.gz	PYYOMQUQYIYASQ-AWEZNQCLSA-N	-1	1	402.299	4.352	50	0		HIAAMM
COc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000001065610	557166247	/nfs/dbraw/zinc/16/62/47/557166247.db2.gz	JVFCXMXGGMZEIV-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)n1C	ZINC000001423913	557261254	/nfs/dbraw/zinc/26/12/54/557261254.db2.gz	MIJDMNOAFGQFGM-UHFFFAOYSA-N	-1	1	413.543	4.025	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2C)c1C	ZINC000002881593	557419713	/nfs/dbraw/zinc/41/97/13/557419713.db2.gz	DQBHSHNBANCSSR-UHFFFAOYSA-N	-1	1	400.544	4.429	50	0		HIAAMM
COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000002881964	557419734	/nfs/dbraw/zinc/41/97/34/557419734.db2.gz	NYEDFHCYGSFOFV-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccn1	ZINC000010557679	557540008	/nfs/dbraw/zinc/54/00/08/557540008.db2.gz	BLJHWZJECFGAJF-CQSZACIVSA-N	-1	1	415.902	4.027	50	0		HIAAMM
CCCc1oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC	ZINC000004660856	557577710	/nfs/dbraw/zinc/57/77/10/557577710.db2.gz	SOCRSDFUFQUFAI-UHFFFAOYSA-N	-1	1	417.483	4.371	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4ccc(C)cc4n3)c2)cc1	ZINC000006229209	557695097	/nfs/dbraw/zinc/69/50/97/557695097.db2.gz	BUSQHBIUHVKURC-UHFFFAOYSA-N	-1	1	420.494	4.069	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346021	557782880	/nfs/dbraw/zinc/78/28/80/557782880.db2.gz	IQJASNHNTOVGPX-QGZVFWFLSA-N	-1	1	413.543	4.445	50	0		HIAAMM
COc1ccc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[n-]3)nc(C)c2c1	ZINC000008990933	557817783	/nfs/dbraw/zinc/81/77/83/557817783.db2.gz	MKQKGEQLRYVXIO-UHFFFAOYSA-N	-1	1	421.888	4.326	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2	ZINC000009569587	557845668	/nfs/dbraw/zinc/84/56/68/557845668.db2.gz	VGFKYDAJAVXQEV-KRWDZBQOSA-N	-1	1	413.543	4.400	50	0		HIAAMM
O=c1[n-]c(=S)n(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1Cl)CN2	ZINC000019931917	558310543	/nfs/dbraw/zinc/31/05/43/558310543.db2.gz	ZBOMSHPTNDFWCZ-UHFFFAOYSA-N	-1	1	402.882	4.073	50	0		HIAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)o1	ZINC000072085443	558458639	/nfs/dbraw/zinc/45/86/39/558458639.db2.gz	XCPQGGCGYWQUDR-UHFFFAOYSA-N	-1	1	404.875	4.069	50	0		HIAAMM
CC1(C)C[C@@]2(C[C@H](c3ccccc3F)c3cc(Cl)c([O-])cc3O2)NC(=S)N1	ZINC000013521693	558536544	/nfs/dbraw/zinc/53/65/44/558536544.db2.gz	LDMMFURXYJLEFT-XCLFUZPHSA-N	-1	1	406.910	4.442	50	0		HIAAMM
CC[C@H](C)c1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n([C@@H](C)CC)c1=O	ZINC000013957250	558607863	/nfs/dbraw/zinc/60/78/63/558607863.db2.gz	KLRSUPASYZEQSH-GJZGRUSLSA-N	-1	1	403.548	4.473	50	0		HIAAMM
CN(CCOc1ccccc1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1	ZINC000025219770	558634741	/nfs/dbraw/zinc/63/47/41/558634741.db2.gz	YDSFIACWIVDIHO-UHFFFAOYSA-N	-1	1	409.486	4.302	50	0		HIAAMM
CC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)CC1	ZINC000014242066	558644758	/nfs/dbraw/zinc/64/47/58/558644758.db2.gz	SYOQZTWMZGCHCS-UHFFFAOYSA-N	-1	1	410.898	4.152	50	0		HIAAMM
COc1cc(OC)c(C2=CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c(OC)c1	ZINC000029579580	558717337	/nfs/dbraw/zinc/71/73/37/558717337.db2.gz	RJDYKHMFKJROCB-UHFFFAOYSA-N	-1	1	403.862	4.001	50	0		HIAAMM
O=C1CS[C@H](c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)N1c1ccccc1	ZINC000035908790	558795865	/nfs/dbraw/zinc/79/58/65/558795865.db2.gz	CCNGGIMXUOSSRP-OAQYLSRUSA-N	-1	1	410.520	4.266	50	0		HIAAMM
Cc1scc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc2c3CC[C@@H](C)C2)c1C	ZINC000017083254	558815708	/nfs/dbraw/zinc/81/57/08/558815708.db2.gz	AEXFIUBFYRUBTN-MRVPVSSYSA-N	-1	1	405.570	4.308	50	0		HIAAMM
Cc1scc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc2c3CC[C@H](C)C2)c1C	ZINC000017083255	558815774	/nfs/dbraw/zinc/81/57/74/558815774.db2.gz	AEXFIUBFYRUBTN-QMMMGPOBSA-N	-1	1	405.570	4.308	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C)s1	ZINC000033007697	558828536	/nfs/dbraw/zinc/82/85/36/558828536.db2.gz	JLQIUEQNGBYYLJ-UHFFFAOYSA-N	-1	1	409.920	4.407	50	0		HIAAMM
CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2s1	ZINC000033007558	558828558	/nfs/dbraw/zinc/82/85/58/558828558.db2.gz	ANABOFGLNDQWOQ-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
C[C@H](NC(=O)COC(=O)c1c([O-])cc(F)cc1F)c1ccc(Cl)c(Cl)c1	ZINC000058008004	558894642	/nfs/dbraw/zinc/89/46/42/558894642.db2.gz	JNRLDFRNVNGCQA-QMMMGPOBSA-N	-1	1	404.196	4.011	50	0		HIAAMM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)n[nH]2)sc1C	ZINC000033173891	558902153	/nfs/dbraw/zinc/90/21/53/558902153.db2.gz	BXMMVNYKJPTZIL-UHFFFAOYSA-N	-1	1	417.434	4.275	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)Nc1ccc(F)c(F)c1	ZINC000023138241	559019640	/nfs/dbraw/zinc/01/96/40/559019640.db2.gz	MHDWBAYLOAMLER-UHFFFAOYSA-N	-1	1	421.856	4.175	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)N1CCc2ccccc21	ZINC000023138298	559019721	/nfs/dbraw/zinc/01/97/21/559019721.db2.gz	PLDMPZNMSAXFIO-UHFFFAOYSA-N	-1	1	411.914	4.260	50	0		HIAAMM
Cc1cccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)c1C	ZINC000023138646	559019915	/nfs/dbraw/zinc/01/99/15/559019915.db2.gz	WPRYVNWWPBZRRG-UHFFFAOYSA-N	-1	1	411.502	4.308	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Br)c(F)c1	ZINC000095067932	559079317	/nfs/dbraw/zinc/07/93/17/559079317.db2.gz	AKSQNFJLLZLAEZ-UHFFFAOYSA-N	-1	1	409.074	4.152	50	0		HIAAMM
COc1cc(C)c(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OC	ZINC000011646599	559119160	/nfs/dbraw/zinc/11/91/60/559119160.db2.gz	VIULTRFQOOGQGT-UHFFFAOYSA-N	-1	1	412.515	4.271	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C\c3ccc(C)o3)c2)cc1	ZINC000033508995	559200107	/nfs/dbraw/zinc/20/01/07/559200107.db2.gz	RHEIHVXKUMSRFA-SEYXRHQNSA-N	-1	1	412.467	4.049	50	0		HIAAMM
COc1cc2nc(=S)n3nc(COc4ccc(Cl)cc4)[n-]c3c2cc1OC	ZINC000004919945	559204855	/nfs/dbraw/zinc/20/48/55/559204855.db2.gz	BKWJXPDMGKEMFU-UHFFFAOYSA-N	-1	1	402.863	4.190	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(C(F)(F)F)cc1	ZINC000005154882	559254511	/nfs/dbraw/zinc/25/45/11/559254511.db2.gz	UJFAKKMMWYOKSF-UHFFFAOYSA-N	-1	1	405.401	4.187	50	0		HIAAMM
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCC2)[n-]c(=O)c1C	ZINC000011854875	559262156	/nfs/dbraw/zinc/26/21/56/559262156.db2.gz	JEOAAQGWGFGOFJ-UHFFFAOYSA-N	-1	1	411.531	4.210	50	0		HIAAMM
CC(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000011855215	559262356	/nfs/dbraw/zinc/26/23/56/559262356.db2.gz	LEUQNFDJSYCUBP-UHFFFAOYSA-N	-1	1	419.510	4.336	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100799102	559268335	/nfs/dbraw/zinc/26/83/35/559268335.db2.gz	MEVRTFYDNMFGDA-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000136135719	559276615	/nfs/dbraw/zinc/27/66/15/559276615.db2.gz	KKYZGWYOTCYEST-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000003265720	560590928	/nfs/dbraw/zinc/59/09/28/560590928.db2.gz	ZAGITLWQVZQEMI-UHFFFAOYSA-N	-1	1	414.914	4.413	50	0		HIAAMM
O=C([N-]c1nnc(-c2ccc(F)cc2)s1)c1cc(-c2ccc3c(c2)OCCO3)on1	ZINC000526052495	560639606	/nfs/dbraw/zinc/63/96/06/560639606.db2.gz	UEFORCRCEIJOAO-UHFFFAOYSA-N	-1	1	424.413	4.023	50	0		HIAAMM
CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1	ZINC000002728582	560732020	/nfs/dbraw/zinc/73/20/20/560732020.db2.gz	LXVJMFCPMJDKTJ-UHFFFAOYSA-N	-1	1	406.891	4.199	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[n-]cc-3c2=O)cc1	ZINC000101281977	560790370	/nfs/dbraw/zinc/79/03/70/560790370.db2.gz	FRWXAVYVZRDCCQ-UHFFFAOYSA-N	-1	1	414.490	4.119	50	0		HIAAMM
CC(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1	ZINC000101495113	560796113	/nfs/dbraw/zinc/79/61/13/560796113.db2.gz	BCAUDEHIUJEZNO-LJQANCHMSA-N	-1	1	421.522	4.261	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)NC5CCCC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827619	560802479	/nfs/dbraw/zinc/80/24/79/560802479.db2.gz	LBNBFJKADQTQNN-UHFFFAOYSA-N	-1	1	400.482	4.053	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102861371	560831866	/nfs/dbraw/zinc/83/18/66/560831866.db2.gz	KKYZGWYOTCYEST-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CC[C@H](C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1	ZINC000095453023	568615677	/nfs/dbraw/zinc/61/56/77/568615677.db2.gz	IBMGTRAHZXFQON-WFASDCNBSA-N	-1	1	404.429	4.160	50	0		HIAAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1O	ZINC000095477636	568631314	/nfs/dbraw/zinc/63/13/14/568631314.db2.gz	YWKHDSFZXZXVLQ-GUYCJALGSA-N	-1	1	403.504	4.319	50	0		HIAAMM
COc1ccc(CNCc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])c(OC)c1	ZINC000021025495	568658877	/nfs/dbraw/zinc/65/88/77/568658877.db2.gz	LSPHUCOLORDMGR-UHFFFAOYSA-N	-1	1	408.498	4.408	50	0		HIAAMM
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000021034188	568659474	/nfs/dbraw/zinc/65/94/74/568659474.db2.gz	QVURCRHXCMWFKY-UHFFFAOYSA-N	-1	1	412.467	4.099	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC[C@H](C)C[C@@H]3C)c2)cc1	ZINC000225740179	568669985	/nfs/dbraw/zinc/66/99/85/568669985.db2.gz	GEAFLLGZTQFGBF-IRXDYDNUSA-N	-1	1	416.543	4.147	50	0		HIAAMM
CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114025	568693615	/nfs/dbraw/zinc/69/36/15/568693615.db2.gz	WOQDCKOZHSXAGU-HNNXBMFYSA-N	-1	1	416.433	4.384	50	0		HIAAMM
CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096114025	568693617	/nfs/dbraw/zinc/69/36/17/568693617.db2.gz	WOQDCKOZHSXAGU-HNNXBMFYSA-N	-1	1	416.433	4.384	50	0		HIAAMM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1	ZINC000096117298	568696645	/nfs/dbraw/zinc/69/66/45/568696645.db2.gz	JSCGZDONLPNYBY-SCLBCKFNSA-N	-1	1	417.531	4.210	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1-c1nnc(C2CCC2)o1	ZINC000096379724	568741352	/nfs/dbraw/zinc/74/13/52/568741352.db2.gz	MFLJNZZEKULFIV-UHFFFAOYSA-N	-1	1	404.467	4.197	50	0		HIAAMM
CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1	ZINC000086056877	568753701	/nfs/dbraw/zinc/75/37/01/568753701.db2.gz	AXCULYAGAPFKOW-SFHVURJKSA-N	-1	1	421.522	4.325	50	0		HIAAMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000002645504	568794890	/nfs/dbraw/zinc/79/48/90/568794890.db2.gz	NLMLVGOPSLXIED-UHFFFAOYSA-N	-1	1	407.797	4.255	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c1C	ZINC000012508183	568840067	/nfs/dbraw/zinc/84/00/67/568840067.db2.gz	JYTWGAFFDKPHAE-UHFFFAOYSA-N	-1	1	402.545	4.001	50	0		HIAAMM
C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)C1CC1	ZINC000012541869	568848707	/nfs/dbraw/zinc/84/87/07/568848707.db2.gz	MKFGDALBCORXBB-MRXNPFEDSA-N	-1	1	408.523	4.098	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccsc2)cc1	ZINC000012557209	568856229	/nfs/dbraw/zinc/85/62/29/568856229.db2.gz	KSLCBBUQTTTWCL-UHFFFAOYSA-N	-1	1	400.525	4.130	50	0		HIAAMM
O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(Br)ccc1[O-]	ZINC000012766756	568948764	/nfs/dbraw/zinc/94/87/64/568948764.db2.gz	QLMGWZKUWFRSHE-UHFFFAOYSA-N	-1	1	409.667	4.187	50	0		HIAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1	ZINC000085664599	569006493	/nfs/dbraw/zinc/00/64/93/569006493.db2.gz	ISCCHKIMSBJSPS-UHFFFAOYSA-N	-1	1	415.418	4.160	50	0		HIAAMM
O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000006146804	569014603	/nfs/dbraw/zinc/01/46/03/569014603.db2.gz	VZJDIPJWBHCQRJ-UHFFFAOYSA-N	-1	1	413.326	4.467	50	0		HIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2	ZINC000064952092	569132519	/nfs/dbraw/zinc/13/25/19/569132519.db2.gz	NNTDTHOSHDQWEA-UHFFFAOYSA-N	-1	1	404.557	4.207	50	0		HIAAMM
Cc1cccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)c1C	ZINC000006818485	569138427	/nfs/dbraw/zinc/13/84/27/569138427.db2.gz	SVESCEJAFJOSEQ-IBGZPJMESA-N	-1	1	400.525	4.023	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1Cl	ZINC000065021251	569154432	/nfs/dbraw/zinc/15/44/32/569154432.db2.gz	AYCRPSNDHFVQSZ-UHFFFAOYSA-N	-1	1	418.946	4.483	50	0		HIAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000027474079	569324064	/nfs/dbraw/zinc/32/40/64/569324064.db2.gz	SWAHDMIFZPPKCM-DWFNGTSHSA-N	-1	1	424.529	4.388	50	0		HIAAMM
O=C(c1ccc(-c2cc(Cl)cc(Cl)c2)s1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000253404428	569365800	/nfs/dbraw/zinc/36/58/00/569365800.db2.gz	KVTSJEMQUDCCRJ-JTQLQIEISA-N	-1	1	423.325	4.153	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)C3(c4ccccc4)CC3)c2)cc1	ZINC000040049284	571143412	/nfs/dbraw/zinc/14/34/12/571143412.db2.gz	SWJAJYYEZSRFNN-UHFFFAOYSA-N	-1	1	422.506	4.166	50	0		HIAAMM
Cc1ccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1	ZINC000040106674	571167133	/nfs/dbraw/zinc/16/71/33/571167133.db2.gz	YTZHOOUTFJKSKP-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000009467923	571261221	/nfs/dbraw/zinc/26/12/21/571261221.db2.gz	SGCDSGFPGOBYJI-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
Nc1nc(SCc2ccccc2Cl)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1	ZINC000009518161	571265496	/nfs/dbraw/zinc/26/54/96/571265496.db2.gz	APWCAJJVXUSZQQ-UHFFFAOYSA-N	-1	1	421.309	4.204	50	0		HIAAMM
Cc1cc(C)cc(OCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)c1	ZINC000009641018	571275821	/nfs/dbraw/zinc/27/58/21/571275821.db2.gz	AEQIEQSJCCHVNZ-UHFFFAOYSA-N	-1	1	410.474	4.012	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc21	ZINC000006779521	132315663	/nfs/dbraw/zinc/31/56/63/132315663.db2.gz	GZUWVIPSTHRPCJ-AWEZNQCLSA-N	-1	1	404.557	4.458	50	0		HIAAMM
CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1C	ZINC000011612438	132348493	/nfs/dbraw/zinc/34/84/93/132348493.db2.gz	QJTVVAOIUVLYKZ-UHFFFAOYSA-N	-1	1	416.543	4.274	50	0		HIAAMM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)cc1	ZINC000032798298	519678083	/nfs/dbraw/zinc/67/80/83/519678083.db2.gz	SXNIPSXOUVKUFN-UHFFFAOYSA-N	-1	1	409.511	4.176	50	0		HIAAMM
O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1N1CCCCCCC1	ZINC000032962192	526353207	/nfs/dbraw/zinc/35/32/07/526353207.db2.gz	UJHPUTUSJHAXAO-UHFFFAOYSA-N	-1	1	424.469	4.234	50	0		HIAAMM
COc1ccc(OC)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c1	ZINC000000876714	557108268	/nfs/dbraw/zinc/10/82/68/557108268.db2.gz	ZUULNQQNTCHGJQ-BZZOAKBMSA-N	-1	1	417.421	4.035	50	0		HIAAMM
COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000001076489	557173081	/nfs/dbraw/zinc/17/30/81/557173081.db2.gz	LLUWORGSWQGRAJ-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2C)c1C	ZINC000001110648	557183179	/nfs/dbraw/zinc/18/31/79/557183179.db2.gz	HJMSYQJQWCJHAM-UHFFFAOYSA-N	-1	1	400.544	4.475	50	0		HIAAMM
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cccc(F)c1	ZINC000001169880	557223257	/nfs/dbraw/zinc/22/32/57/557223257.db2.gz	AWAMLRZCPRPOOT-UHFFFAOYSA-N	-1	1	407.426	4.466	50	0		HIAAMM
COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3ccc(Cl)cc3C)n2)cc1	ZINC000004679032	557580366	/nfs/dbraw/zinc/58/03/66/557580366.db2.gz	CDZBRAPZFKYVNL-UHFFFAOYSA-N	-1	1	415.902	4.138	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(=O)c1ccccc1Cl	ZINC000004846082	557605812	/nfs/dbraw/zinc/60/58/12/557605812.db2.gz	XSBLZVOKKHRYFV-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
Cc1cccnc1[N-][C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O	ZINC000019939508	558313498	/nfs/dbraw/zinc/31/34/98/558313498.db2.gz	ZUCDNQNTTNECPM-HXUWFJFHSA-N	-1	1	414.387	4.143	50	0		HIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1	ZINC000024103266	558589252	/nfs/dbraw/zinc/58/92/52/558589252.db2.gz	QWNJJUKWPVHJTI-UHFFFAOYSA-N	-1	1	400.481	4.004	50	0		HIAAMM
CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C)nc([O-])c([C@@H](C)CC)c1=O	ZINC000013957262	558607884	/nfs/dbraw/zinc/60/78/84/558607884.db2.gz	GCLGXIOSTQQXLE-DZGCQCFKSA-N	-1	1	403.548	4.473	50	0		HIAAMM
CC[C@H](C)Nc1cc(C(=O)NC2CCCC2)cc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014530919	558655831	/nfs/dbraw/zinc/65/58/31/558655831.db2.gz	LPXHRDAKBNFPAN-INIZCTEOSA-N	-1	1	415.559	4.370	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1	ZINC000033274822	558764659	/nfs/dbraw/zinc/76/46/59/558764659.db2.gz	CIYZHFBBOXNGII-UHFFFAOYSA-N	-1	1	412.555	4.276	50	0		HIAAMM
COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1[N-]S(C)(=O)=O	ZINC000072309649	558775596	/nfs/dbraw/zinc/77/55/96/558775596.db2.gz	NAYZHFBQHLDSLQ-KRWDZBQOSA-N	-1	1	423.922	4.089	50	0		HIAAMM
Cc1scc(C(=O)Nn2c(=O)c3c([n-]c2=S)sc2c3CCCCC2)c1C	ZINC000017083256	558815769	/nfs/dbraw/zinc/81/57/69/558815769.db2.gz	KZDVWQLCPKQCDT-UHFFFAOYSA-N	-1	1	405.570	4.452	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccc(F)c1	ZINC000017296850	558826519	/nfs/dbraw/zinc/82/65/19/558826519.db2.gz	COFRPBSKGQPCIF-MRXNPFEDSA-N	-1	1	417.506	4.052	50	0		HIAAMM
CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2s1	ZINC000033007578	558828501	/nfs/dbraw/zinc/82/85/01/558828501.db2.gz	PHCJCSIQCSPVRL-UHFFFAOYSA-N	-1	1	403.529	4.353	50	0		HIAAMM
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000018058824	558830284	/nfs/dbraw/zinc/83/02/84/558830284.db2.gz	FFLXUMCMWNUNIA-JQBYJRRVSA-N	-1	1	401.849	4.442	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1OC	ZINC000049997726	558851908	/nfs/dbraw/zinc/85/19/08/558851908.db2.gz	XYGLQSTXWISKLT-ATJXCDBQSA-N	-1	1	423.450	4.097	50	0		HIAAMM
CC(C)(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21	ZINC000013696487	558856131	/nfs/dbraw/zinc/85/61/31/558856131.db2.gz	ZAZYKIBNGKRANS-UHFFFAOYSA-N	-1	1	410.898	4.215	50	0		HIAAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1	ZINC000022195062	558864660	/nfs/dbraw/zinc/86/46/60/558864660.db2.gz	SIIMVYQIXRRVMK-GFCCVEGCSA-N	-1	1	407.845	4.027	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(Cc4cccs4)n3)cc2)cc1	ZINC000033122862	558879298	/nfs/dbraw/zinc/87/92/98/558879298.db2.gz	OYDXHMGNIDMRHQ-UHFFFAOYSA-N	-1	1	411.508	4.498	50	0		HIAAMM
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000004703691	558913092	/nfs/dbraw/zinc/91/30/92/558913092.db2.gz	JVMMDYIRCNCIFY-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCCC1=CCCCC1	ZINC000023138402	559019762	/nfs/dbraw/zinc/01/97/62/559019762.db2.gz	WQWKUJRJCLJYIG-UHFFFAOYSA-N	-1	1	401.507	4.163	50	0		HIAAMM
CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCC1	ZINC000033277549	559040967	/nfs/dbraw/zinc/04/09/67/559040967.db2.gz	BXECSQZLVBQKPD-UHFFFAOYSA-N	-1	1	414.571	4.442	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100122162	559157332	/nfs/dbraw/zinc/15/73/32/559157332.db2.gz	VDZXUDRJEAQYRU-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
O=C([O-])c1cccc2cccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c21	ZINC000011851814	559262080	/nfs/dbraw/zinc/26/20/80/559262080.db2.gz	RFTXRECQUALKCO-UHFFFAOYSA-N	-1	1	418.430	4.058	50	0		HIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C(F)(F)F	ZINC000003166031	560588509	/nfs/dbraw/zinc/58/85/09/560588509.db2.gz	HMKROKTWORANKX-UHFFFAOYSA-N	-1	1	412.311	4.007	50	0		HIAAMM
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000017994755	560733582	/nfs/dbraw/zinc/73/35/82/560733582.db2.gz	WSIPDBWUZFVXNM-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCC5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101828006	560802640	/nfs/dbraw/zinc/80/26/40/560802640.db2.gz	YIZDXIIOTWPWPF-UHFFFAOYSA-N	-1	1	400.482	4.108	50	0		HIAAMM
COc1cc(Br)cc2c1Oc1nc(-c3ccccc3F)[n-]c(=O)c1C2	ZINC000006748504	568458317	/nfs/dbraw/zinc/45/83/17/568458317.db2.gz	OFWYBWYLKKTMMO-UHFFFAOYSA-N	-1	1	403.207	4.456	50	0		HIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccco1	ZINC000000812314	568494766	/nfs/dbraw/zinc/49/47/66/568494766.db2.gz	YHKROFFPNWVHTR-UHFFFAOYSA-N	-1	1	410.373	4.352	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C3CCCC3)cc2)c1C	ZINC000031721797	568504829	/nfs/dbraw/zinc/50/48/29/568504829.db2.gz	QSLQTVAPIYEVBJ-UHFFFAOYSA-N	-1	1	421.584	4.437	50	0		HIAAMM
CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)[nH+]c(C)n1	ZINC000033324501	568513935	/nfs/dbraw/zinc/51/39/35/568513935.db2.gz	XGULSPDFJPDSSQ-UHFFFAOYSA-N	-1	1	411.531	4.176	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1	ZINC000020893842	568648395	/nfs/dbraw/zinc/64/83/95/568648395.db2.gz	PKHFXVIYCNMFQA-UHFFFAOYSA-N	-1	1	423.538	4.042	50	0		HIAAMM
O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2ccc(O)cc2)CC(=O)O1	ZINC000096113878	568693419	/nfs/dbraw/zinc/69/34/19/568693419.db2.gz	VFUBNDIBYPSTAM-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096113878	568693420	/nfs/dbraw/zinc/69/34/20/568693420.db2.gz	VFUBNDIBYPSTAM-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2	ZINC000096117754	568697180	/nfs/dbraw/zinc/69/71/80/568697180.db2.gz	VAXCLXANFCQCDY-HNNXBMFYSA-N	-1	1	414.314	4.022	50	0		HIAAMM
O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2Cl)s1	ZINC000002685337	568800965	/nfs/dbraw/zinc/80/09/65/568800965.db2.gz	NTRVQWBNHGNEGA-UHFFFAOYSA-N	-1	1	420.693	4.071	50	0		HIAAMM
CCc1cc2c(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)oc2cc1[O-]	ZINC000005937294	568830863	/nfs/dbraw/zinc/83/08/63/568830863.db2.gz	MGCILEBPCGALPM-UHFFFAOYSA-N	-1	1	406.356	4.366	50	0		HIAAMM
CCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000012508245	568840099	/nfs/dbraw/zinc/84/00/99/568840099.db2.gz	UASMWHCVDHEULN-UHFFFAOYSA-N	-1	1	414.449	4.378	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1	ZINC000012520997	568841542	/nfs/dbraw/zinc/84/15/42/568841542.db2.gz	DLZKRRXEZYDTLO-CALCHBBNSA-N	-1	1	416.543	4.004	50	0		HIAAMM
Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000012547516	568851492	/nfs/dbraw/zinc/85/14/92/568851492.db2.gz	KQYUOBBFSZHEOU-UHFFFAOYSA-N	-1	1	424.457	4.064	50	0		HIAAMM
CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000012548685	568851846	/nfs/dbraw/zinc/85/18/46/568851846.db2.gz	XCGSLDFWVULCLF-GFCCVEGCSA-N	-1	1	400.422	4.035	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(F)(F)F)c2)cc1	ZINC000012651834	568906727	/nfs/dbraw/zinc/90/67/27/568906727.db2.gz	RFZUHGYNBKYLFA-UHFFFAOYSA-N	-1	1	414.449	4.077	50	0		HIAAMM
CCOC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(C(=O)OCC)c1[O-]	ZINC000001393133	568924915	/nfs/dbraw/zinc/92/49/15/568924915.db2.gz	DKBZQEWGDOQJPW-UHFFFAOYSA-N	-1	1	417.767	4.480	50	0		HIAAMM
O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012775835	568954496	/nfs/dbraw/zinc/95/44/96/568954496.db2.gz	RSPAJCOHOKGOMK-UHFFFAOYSA-N	-1	1	400.887	4.322	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccc(C)c4n3)cc2)cc1OC	ZINC000006093583	569001094	/nfs/dbraw/zinc/00/10/94/569001094.db2.gz	GTZAWOYQWXFTEX-UHFFFAOYSA-N	-1	1	423.494	4.128	50	0		HIAAMM
COc1ccc([C@H](C)NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F	ZINC000012868852	569012329	/nfs/dbraw/zinc/01/23/29/569012329.db2.gz	JLUCVKJCHKGMLC-AWEZNQCLSA-N	-1	1	414.506	4.331	50	0		HIAAMM
Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000015895859	569020017	/nfs/dbraw/zinc/02/00/17/569020017.db2.gz	WPIDDPBOKCDXEN-LRDDRELGSA-N	-1	1	423.332	4.153	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Br)c2)cc1	ZINC000012928010	569024093	/nfs/dbraw/zinc/02/40/93/569024093.db2.gz	OTOJSCNLVLRLKW-UHFFFAOYSA-N	-1	1	419.304	4.017	50	0		HIAAMM
Cc1ccc(OCC(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1C	ZINC000012949392	569029439	/nfs/dbraw/zinc/02/94/39/569029439.db2.gz	CNLRGWLFLGZBLI-UHFFFAOYSA-N	-1	1	420.490	4.391	50	0		HIAAMM
CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccco1	ZINC000035684082	569049127	/nfs/dbraw/zinc/04/91/27/569049127.db2.gz	IISAETZLDLGYNJ-FQEVSTJZSA-N	-1	1	423.494	4.168	50	0		HIAAMM
CC[C@H](C)NC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1	ZINC000064611780	569074467	/nfs/dbraw/zinc/07/44/67/569074467.db2.gz	CWKQIKRDAZIUCR-HNNXBMFYSA-N	-1	1	424.570	4.091	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3nc(SCCO)sc3c2)c1C	ZINC000064747864	569089073	/nfs/dbraw/zinc/08/90/73/569089073.db2.gz	WIRJMPHPIHWHHJ-UHFFFAOYSA-N	-1	1	422.597	4.415	50	0		HIAAMM
Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1F)CC(=O)N2	ZINC000006748322	569108522	/nfs/dbraw/zinc/10/85/22/569108522.db2.gz	LRURQYMQYQBIET-AWEZNQCLSA-N	-1	1	413.449	4.123	50	0		HIAAMM
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21	ZINC000065020971	569154234	/nfs/dbraw/zinc/15/42/34/569154234.db2.gz	NRIQELYZELBXCI-UHFFFAOYSA-N	-1	1	406.935	4.421	50	0		HIAAMM
Cc1ccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C	ZINC000036394538	569168852	/nfs/dbraw/zinc/16/88/52/569168852.db2.gz	ZDJHEQRNOVSECR-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
CCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)s1	ZINC000170601377	569243328	/nfs/dbraw/zinc/24/33/28/569243328.db2.gz	OWXONWUCLMOSPQ-UHFFFAOYSA-N	-1	1	415.540	4.375	50	0		HIAAMM
O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21	ZINC000013696579	569257081	/nfs/dbraw/zinc/25/70/81/569257081.db2.gz	PLZGPVYYKLZMRU-UHFFFAOYSA-N	-1	1	420.849	4.076	50	0		HIAAMM
O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21	ZINC000013696291	569257140	/nfs/dbraw/zinc/25/71/40/569257140.db2.gz	NVAIILDNEQPLSI-UHFFFAOYSA-N	-1	1	404.919	4.220	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1Cl	ZINC000013696536	569257214	/nfs/dbraw/zinc/25/72/14/569257214.db2.gz	URJUQOYFEISJAE-UHFFFAOYSA-N	-1	1	422.934	4.085	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2)cc1	ZINC000008778894	571118539	/nfs/dbraw/zinc/11/85/39/571118539.db2.gz	PLYRVAUZHXSKPW-UHFFFAOYSA-N	-1	1	422.915	4.463	50	0		HIAAMM
NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3Cl)cc2)cc1	ZINC000040019881	571139108	/nfs/dbraw/zinc/13/91/08/571139108.db2.gz	XMZGCDPUDCBLSH-UHFFFAOYSA-N	-1	1	402.859	4.032	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1	ZINC000009168614	571233189	/nfs/dbraw/zinc/23/31/89/571233189.db2.gz	YYPGEUUWRIHDGP-UHFFFAOYSA-N	-1	1	402.516	4.142	50	0		HIAAMM
CCn1c2cc(OC)ccc2c(CNCc2ccccc2Br)c1C(=O)[O-]	ZINC000009532673	571267161	/nfs/dbraw/zinc/26/71/61/571267161.db2.gz	VOYGPIZOHAFJAU-UHFFFAOYSA-N	-1	1	417.303	4.420	50	0		HIAAMM
Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000009594074	571272054	/nfs/dbraw/zinc/27/20/54/571272054.db2.gz	MUIZQXPSYHBEFH-UHFFFAOYSA-N	-1	1	411.797	4.472	50	0		HIAAMM
COc1cccc(/C=C\C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000098007634	852651206	/nfs/dbraw/zinc/65/12/06/852651206.db2.gz	JYMCPZRJVSPGQH-OWBHPGMISA-N	-1	1	422.506	4.456	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1	ZINC000005136548	132302739	/nfs/dbraw/zinc/30/27/39/132302739.db2.gz	YTQBIGVDIQZARH-UHFFFAOYSA-N	-1	1	412.536	4.450	50	0		HIAAMM
O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2cccc(Cl)c2)CC1	ZINC000012324570	132358714	/nfs/dbraw/zinc/35/87/14/132358714.db2.gz	XRIKYEVTLZZSAL-LJQANCHMSA-N	-1	1	404.297	4.423	50	0		HIAAMM
CCCCSc1cc2c(cc1[N-]C(=O)c1c(F)cccc1F)n(C)c(=O)n2C	ZINC000045960892	520977035	/nfs/dbraw/zinc/97/70/35/520977035.db2.gz	GEOOMYCHLPKFMO-UHFFFAOYSA-N	-1	1	405.470	4.300	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccc(Cl)c1	ZINC000020554870	527252248	/nfs/dbraw/zinc/25/22/48/527252248.db2.gz	QBKPJFUYRZUOLN-UHFFFAOYSA-N	-1	1	414.918	4.198	50	0		HIAAMM
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000000842254	557098015	/nfs/dbraw/zinc/09/80/15/557098015.db2.gz	CJLZZLREWSTMCR-FQEVSTJZSA-N	-1	1	405.475	4.326	50	0		HIAAMM
COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1	ZINC000002890917	557423761	/nfs/dbraw/zinc/42/37/61/557423761.db2.gz	LMEUPKHSNIKSFR-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[n-]2)c(Br)c1	ZINC000008828769	557811224	/nfs/dbraw/zinc/81/12/24/557811224.db2.gz	CNHRXDHKSPZRDK-UHFFFAOYSA-N	-1	1	403.729	4.364	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@H]1c1ccccc1	ZINC000022472292	558491584	/nfs/dbraw/zinc/49/15/84/558491584.db2.gz	UGJAAGGPODHVAN-QFIPXVFZSA-N	-1	1	406.507	4.465	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)n1	ZINC000013112272	558515428	/nfs/dbraw/zinc/51/54/28/558515428.db2.gz	DDQAKIYTVOLFFC-UHFFFAOYSA-N	-1	1	414.556	4.464	50	0		HIAAMM
CCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000013937405	558603732	/nfs/dbraw/zinc/60/37/32/558603732.db2.gz	QOMLGXGEQCGKGE-UHFFFAOYSA-N	-1	1	404.344	4.101	50	0		HIAAMM
Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1	ZINC000024813925	558613724	/nfs/dbraw/zinc/61/37/24/558613724.db2.gz	VLEZZHNLLDWBGV-UHFFFAOYSA-N	-1	1	412.486	4.425	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccccc2Cl)o1)c1nnn[n-]1	ZINC000027562043	558675039	/nfs/dbraw/zinc/67/50/39/558675039.db2.gz	XQPGXEJOGDZYJZ-NBVRZTHBSA-N	-1	1	419.872	4.013	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccccc2Cl)o1)c1nn[n-]n1	ZINC000027562043	558675043	/nfs/dbraw/zinc/67/50/43/558675043.db2.gz	XQPGXEJOGDZYJZ-NBVRZTHBSA-N	-1	1	419.872	4.013	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1	ZINC000033274575	558764419	/nfs/dbraw/zinc/76/44/19/558764419.db2.gz	LFPNPJKQYNPRJI-UHFFFAOYSA-N	-1	1	412.555	4.195	50	0		HIAAMM
CCCCOc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000017057497	558813411	/nfs/dbraw/zinc/81/34/11/558813411.db2.gz	WVIIDDIGLHNECG-QGZVFWFLSA-N	-1	1	419.481	4.099	50	0		HIAAMM
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F	ZINC000017089508	558818199	/nfs/dbraw/zinc/81/81/99/558818199.db2.gz	NUXGAGJJSNZPJN-UHFFFAOYSA-N	-1	1	413.396	4.448	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1sccc1C)C(C(=O)OCC)=C(C)N2	ZINC000017271121	558826446	/nfs/dbraw/zinc/82/64/46/558826446.db2.gz	JSGLVZCXOJFPDB-AWEZNQCLSA-N	-1	1	419.572	4.427	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C)s1	ZINC000033007718	558828496	/nfs/dbraw/zinc/82/84/96/558828496.db2.gz	YVSCFCWOLJTSAX-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CCC1	ZINC000033128554	558882194	/nfs/dbraw/zinc/88/21/94/558882194.db2.gz	HVBFNYUTTLKWAX-UHFFFAOYSA-N	-1	1	414.571	4.343	50	0		HIAAMM
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1	ZINC000033130273	558886359	/nfs/dbraw/zinc/88/63/59/558886359.db2.gz	XFVIJPUXINXBSE-UHFFFAOYSA-N	-1	1	412.486	4.432	50	0		HIAAMM
O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021785019	558950174	/nfs/dbraw/zinc/95/01/74/558950174.db2.gz	BPFPLPFXYMHICP-ZDUSSCGKSA-N	-1	1	417.412	4.366	50	0		HIAAMM
CC(C)n1[n-]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc(Br)cc1	ZINC000072405467	558983887	/nfs/dbraw/zinc/98/38/87/558983887.db2.gz	JTRQYKIVCNTEDW-UHFFFAOYSA-N	-1	1	405.277	4.050	50	0		HIAAMM
Cc1csc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)n1	ZINC000023138259	559019746	/nfs/dbraw/zinc/01/97/46/559019746.db2.gz	IPRRNCKKWSJBNA-UHFFFAOYSA-N	-1	1	406.920	4.074	50	0		HIAAMM
CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000033297965	559047737	/nfs/dbraw/zinc/04/77/37/559047737.db2.gz	SKDVFXLBEZZIHU-KAMYIIQDSA-N	-1	1	411.483	4.303	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2cn3cccnc3n2)c1)c1cccc2ccccc21	ZINC000005130932	559249405	/nfs/dbraw/zinc/24/94/05/559249405.db2.gz	FDEBGWWVZVLVLT-UHFFFAOYSA-N	-1	1	400.463	4.350	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc3c2N1CCC3	ZINC000005154182	559253476	/nfs/dbraw/zinc/25/34/76/559253476.db2.gz	LXBGCIIMQMGBGX-UHFFFAOYSA-N	-1	1	411.310	4.020	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000136461323	559277124	/nfs/dbraw/zinc/27/71/24/559277124.db2.gz	CYSKHBCHNLYEME-FSSWDIPSSA-N	-1	1	402.425	4.185	50	0		HIAAMM
O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21	ZINC000017178212	560703775	/nfs/dbraw/zinc/70/37/75/560703775.db2.gz	QZCGQIVKOBWASP-UHFFFAOYSA-N	-1	1	410.470	4.220	50	0		HIAAMM
O=C(NCCC1=CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000017335320	560709508	/nfs/dbraw/zinc/70/95/08/560709508.db2.gz	HEXTVIZRZMPEPG-UHFFFAOYSA-N	-1	1	402.491	4.247	50	0		HIAAMM
CCCOc1ccc([C@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1	ZINC000101641817	560797601	/nfs/dbraw/zinc/79/76/01/560797601.db2.gz	VUUWKHLGVLJFPT-MRXNPFEDSA-N	-1	1	400.438	4.102	50	0		HIAAMM
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1)c1ccccc1	ZINC000012126371	560889650	/nfs/dbraw/zinc/88/96/50/560889650.db2.gz	DHYIKEGNDCMBIT-QGZVFWFLSA-N	-1	1	405.502	4.089	50	0		HIAAMM
O=c1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c2c(-c3ccc(F)cc3)csc21	ZINC000049421040	568450348	/nfs/dbraw/zinc/45/03/48/568450348.db2.gz	REGAAAYYDBGJNR-UHFFFAOYSA-N	-1	1	424.476	4.256	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1OC	ZINC000021033894	568659467	/nfs/dbraw/zinc/65/94/67/568659467.db2.gz	GYDFIDYSHMNPEB-UHFFFAOYSA-N	-1	1	414.483	4.345	50	0		HIAAMM
CCn1c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2oc1=O	ZINC000021156065	568673500	/nfs/dbraw/zinc/67/35/00/568673500.db2.gz	VMFMBSASQCXEPC-UHFFFAOYSA-N	-1	1	400.500	4.463	50	0		HIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CCc1nc2ccccc2n1C	ZINC000021357008	568688290	/nfs/dbraw/zinc/68/82/90/568688290.db2.gz	BXQMZOGHIRZKPD-UHFFFAOYSA-N	-1	1	405.523	4.468	50	0		HIAAMM
Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)o1	ZINC000096114413	568693964	/nfs/dbraw/zinc/69/39/64/568693964.db2.gz	LOCDWFDMOXEKNU-AWEZNQCLSA-N	-1	1	404.374	4.214	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1	ZINC000005827033	568824646	/nfs/dbraw/zinc/82/46/46/568824646.db2.gz	NPKDTASHWVKDMV-UHFFFAOYSA-N	-1	1	405.829	4.125	50	0		HIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1	ZINC000012508101	568839600	/nfs/dbraw/zinc/83/96/00/568839600.db2.gz	LTQLCIYDBAKHOH-UHFFFAOYSA-N	-1	1	409.467	4.334	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1	ZINC000012520996	568841430	/nfs/dbraw/zinc/84/14/30/568841430.db2.gz	DLZKRRXEZYDTLO-IRXDYDNUSA-N	-1	1	416.543	4.004	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3CCC(C)CC3)c2)cc1	ZINC000012526468	568843225	/nfs/dbraw/zinc/84/32/25/568843225.db2.gz	VDUJFAMWMNOYSV-UHFFFAOYSA-N	-1	1	416.543	4.147	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nccs3)c2)cc1C	ZINC000012526432	568843263	/nfs/dbraw/zinc/84/32/63/568843263.db2.gz	KRHZYYITBUEWRQ-UHFFFAOYSA-N	-1	1	421.931	4.466	50	0		HIAAMM
Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])cc2O)cc1	ZINC000003315680	568879164	/nfs/dbraw/zinc/87/91/64/568879164.db2.gz	XMMRLWWYKPRTNJ-UHFFFAOYSA-N	-1	1	418.474	4.080	50	0		HIAAMM
Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(=O)c1-2	ZINC000015391734	568885253	/nfs/dbraw/zinc/88/52/53/568885253.db2.gz	MLRYCLMBGPPFJF-CQSZACIVSA-N	-1	1	416.456	4.143	50	0		HIAAMM
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc([O-])cc1O	ZINC000003441395	568903856	/nfs/dbraw/zinc/90/38/56/568903856.db2.gz	WYVGQDOPQHTGII-UHFFFAOYSA-N	-1	1	409.492	4.382	50	0		HIAAMM
CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccccc3)[n-]c(=O)c21	ZINC000001407714	568928374	/nfs/dbraw/zinc/92/83/74/568928374.db2.gz	WUKGJMGMTPDILF-QHCPKHFHSA-N	-1	1	405.523	4.392	50	0		HIAAMM
COc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3Cl)s2)cc1	ZINC000008186421	568980481	/nfs/dbraw/zinc/98/04/81/568980481.db2.gz	XMRSQHURWVFKST-CQSZACIVSA-N	-1	1	409.294	4.419	50	0		HIAAMM
C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2NC1=O	ZINC000015730612	568981173	/nfs/dbraw/zinc/98/11/73/568981173.db2.gz	FPGMYNGMGQSHEH-JTQLQIEISA-N	-1	1	416.446	4.187	50	0		HIAAMM
COc1ccc(OC)c(CNCc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])c1	ZINC000015776804	569000083	/nfs/dbraw/zinc/00/00/83/569000083.db2.gz	MLFPSGGHWKDEEA-UHFFFAOYSA-N	-1	1	422.525	4.467	50	0		HIAAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)c(OC)c1	ZINC000006170271	569016286	/nfs/dbraw/zinc/01/62/86/569016286.db2.gz	UXEVMOJGHCTHRH-UHFFFAOYSA-N	-1	1	400.243	4.374	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1C	ZINC000015882148	569019042	/nfs/dbraw/zinc/01/90/42/569019042.db2.gz	KKZNTQXDBGWSDK-UHFFFAOYSA-N	-1	1	408.527	4.161	50	0		HIAAMM
Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000015895858	569019955	/nfs/dbraw/zinc/01/99/55/569019955.db2.gz	WPIDDPBOKCDXEN-WBMJQRKESA-N	-1	1	423.332	4.153	50	0		HIAAMM
O=c1c2c(n3c([S-])nnc3n1Cc1ccccc1)-c1ccccc1CC21CCCC1	ZINC000006229353	569033590	/nfs/dbraw/zinc/03/35/90/569033590.db2.gz	FKIDYUDECOKJBZ-UHFFFAOYSA-N	-1	1	414.534	4.263	50	0		HIAAMM
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21	ZINC000065021185	569154385	/nfs/dbraw/zinc/15/43/85/569154385.db2.gz	AJSCNDAIQZZJTN-UHFFFAOYSA-N	-1	1	404.919	4.175	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1F	ZINC000006935208	569186065	/nfs/dbraw/zinc/18/60/65/569186065.db2.gz	AXWVBNQJDYKZBZ-AWEZNQCLSA-N	-1	1	402.491	4.013	50	0		HIAAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000006952525	569190150	/nfs/dbraw/zinc/19/01/50/569190150.db2.gz	ARCVYKYGCCFLKJ-KRWDZBQOSA-N	-1	1	413.543	4.398	50	0		HIAAMM
CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2C1=O	ZINC000065241594	569201822	/nfs/dbraw/zinc/20/18/22/569201822.db2.gz	XBFCLTGLZCHHFY-UHFFFAOYSA-N	-1	1	423.494	4.353	50	0		HIAAMM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)nn1	ZINC000007428256	569238570	/nfs/dbraw/zinc/23/85/70/569238570.db2.gz	AWLKAXYQJYKKNA-UHFFFAOYSA-N	-1	1	410.282	4.260	50	0		HIAAMM
CC(C)c1ccc2c(c1)occ([C@H]1N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O	ZINC000252515647	569292170	/nfs/dbraw/zinc/29/21/70/569292170.db2.gz	MJNMRWVUYDGWQA-DENIHFKCSA-N	-1	1	402.450	4.086	50	0		HIAAMM
CSc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c1	ZINC000067298528	571072414	/nfs/dbraw/zinc/07/24/14/571072414.db2.gz	FNELPJBBILEKKW-ISWCOFGISA-N	-1	1	410.495	4.002	50	0		HIAAMM
CSc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1	ZINC000067298845	571072437	/nfs/dbraw/zinc/07/24/37/571072437.db2.gz	DHCAULWDPYWXRI-ISWCOFGISA-N	-1	1	410.495	4.002	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cc(F)ccc1Cl	ZINC000067298681	571072659	/nfs/dbraw/zinc/07/26/59/571072659.db2.gz	MQAJHTXPOBRVGH-MEFNAMQOSA-N	-1	1	416.836	4.072	50	0		HIAAMM
Cc1cc(=O)[n-]c(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)cc2Cl)n1	ZINC000038740496	571077555	/nfs/dbraw/zinc/07/75/55/571077555.db2.gz	RSXMTHVNVNYUSM-UHFFFAOYSA-N	-1	1	423.835	4.388	50	0		HIAAMM
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000040106654	571167150	/nfs/dbraw/zinc/16/71/50/571167150.db2.gz	SHWSDLTZSBULTG-KRWDZBQOSA-N	-1	1	410.495	4.202	50	0		HIAAMM
O=C(COc1ccc(C=C2SC(=O)[N-]C2=O)cc1)Nc1c(Cl)cccc1Cl	ZINC000009227582	571239180	/nfs/dbraw/zinc/23/91/80/571239180.db2.gz	SCAHDXBPBAAFKE-RIYZIHGNSA-N	-1	1	423.277	4.335	50	0		HIAAMM
O=c1cc2nc(-c3cccs3)nc(SCc3cccc(Br)c3)n2[n-]1	ZINC000009641446	571275859	/nfs/dbraw/zinc/27/58/59/571275859.db2.gz	AOYJAJKMCWQPLG-UHFFFAOYSA-N	-1	1	419.329	4.201	50	0		HIAAMM
CC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)C[C@@H]1c1ccco1	ZINC000009668204	571278271	/nfs/dbraw/zinc/27/82/71/571278271.db2.gz	VEHPDWVGRXORMM-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1Br	ZINC000009963781	571293044	/nfs/dbraw/zinc/29/30/44/571293044.db2.gz	FDWKLDLZFPNZAV-UHFFFAOYSA-N	-1	1	413.318	4.177	50	0		HIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(/C=C/c3ccccn3)c2)cc1	ZINC000007709399	845393797	/nfs/dbraw/zinc/39/37/97/845393797.db2.gz	LHXPXLWSTMIUTK-MDZDMXLPSA-N	-1	1	419.506	4.180	50	0		HIAAMM
CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc21	ZINC000008840830	132333710	/nfs/dbraw/zinc/33/37/10/132333710.db2.gz	DGZXUERXVBQNRV-UHFFFAOYSA-N	-1	1	410.898	4.215	50	0		HIAAMM
CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21	ZINC000016837560	132464303	/nfs/dbraw/zinc/46/43/03/132464303.db2.gz	FAFVQVSKJUXVFW-UHFFFAOYSA-N	-1	1	400.544	4.410	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)c1C	ZINC000032944015	524691872	/nfs/dbraw/zinc/69/18/72/524691872.db2.gz	WQGKDENRVUEQHT-CQSZACIVSA-N	-1	1	416.568	4.341	50	0		HIAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCCc2ccccc21	ZINC000000990965	526777307	/nfs/dbraw/zinc/77/73/07/526777307.db2.gz	CUJVRXHZDHPINO-UHFFFAOYSA-N	-1	1	410.470	4.220	50	0		HIAAMM
O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000020464046	527023323	/nfs/dbraw/zinc/02/33/23/527023323.db2.gz	MISAXJFIDPQZBP-ZDUSSCGKSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=S(=O)([N-]c1cccc(OCc2ccncc2)c1)c1cccc(Br)c1	ZINC000032915909	527253212	/nfs/dbraw/zinc/25/32/12/527253212.db2.gz	SENOIPMYPQZJPP-UHFFFAOYSA-N	-1	1	419.300	4.224	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccncc3)cc2)cc1	ZINC000000630945	557026469	/nfs/dbraw/zinc/02/64/69/557026469.db2.gz	WPVCMXVMCNNVNN-UHFFFAOYSA-N	-1	1	409.511	4.432	50	0		HIAAMM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccccc1	ZINC000001041002	557153482	/nfs/dbraw/zinc/15/34/82/557153482.db2.gz	IITYBFSBVMEZEX-UHFFFAOYSA-N	-1	1	401.871	4.403	50	0		HIAAMM
CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001050530	557159444	/nfs/dbraw/zinc/15/94/44/557159444.db2.gz	LOGTWSQUJAHIMR-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4o3)cc2)cc1	ZINC000001120836	557191049	/nfs/dbraw/zinc/19/10/49/557191049.db2.gz	FPYFOIKTNFYVTB-UHFFFAOYSA-N	-1	1	407.451	4.254	50	0		HIAAMM
CCCCC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1	ZINC000005503004	557658686	/nfs/dbraw/zinc/65/86/86/557658686.db2.gz	HHNAMFLBDLSEDN-OAHLLOKOSA-N	-1	1	419.547	4.320	50	0		HIAAMM
S=C(NCc1ccccc1)NN=c1nnc(-c2ccccc2)c(-c2ccccc2)[n-]1	ZINC000006574879	557708918	/nfs/dbraw/zinc/70/89/18/557708918.db2.gz	MMXBCDJEYARDAE-UHFFFAOYSA-N	-1	1	412.522	4.197	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000013608436	558548069	/nfs/dbraw/zinc/54/80/69/558548069.db2.gz	FQOIOMNGNCSOTO-UHFFFAOYSA-N	-1	1	424.884	4.233	50	0		HIAAMM
CCc1c(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]c1=O	ZINC000013751713	558589861	/nfs/dbraw/zinc/58/98/61/558589861.db2.gz	HGRFUSXOPXFQTJ-UHFFFAOYSA-N	-1	1	405.829	4.044	50	0		HIAAMM
CC[C@@H](C)c1c([O-])nc(SCC(=O)Nc2ccccc2C)n([C@H](C)CC)c1=O	ZINC000013957261	558607770	/nfs/dbraw/zinc/60/77/70/558607770.db2.gz	GCLGXIOSTQQXLE-UKRRQHHQSA-N	-1	1	403.548	4.473	50	0		HIAAMM
COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C	ZINC000024841372	558616991	/nfs/dbraw/zinc/61/69/91/558616991.db2.gz	DRVZTVJYXBEPKM-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1	ZINC000025741843	558648777	/nfs/dbraw/zinc/64/87/77/558648777.db2.gz	UOIBVNUETVNHQU-UHFFFAOYSA-N	-1	1	407.495	4.424	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	ZINC000030580975	558733377	/nfs/dbraw/zinc/73/33/77/558733377.db2.gz	GSHIAIKBAHFZSG-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1OC	ZINC000000861655	558774605	/nfs/dbraw/zinc/77/46/05/558774605.db2.gz	YRSHOANUFMRQRL-UHFFFAOYSA-N	-1	1	404.422	4.399	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCCC1	ZINC000016647609	558797463	/nfs/dbraw/zinc/79/74/63/558797463.db2.gz	CYUIRNYQGFPNBI-UHFFFAOYSA-N	-1	1	410.948	4.099	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nnn[n-]1	ZINC000016742264	558804135	/nfs/dbraw/zinc/80/41/35/558804135.db2.gz	KIAKGAJPWMTOMN-XMHGGMMESA-N	-1	1	419.872	4.013	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nn[n-]n1	ZINC000016742264	558804137	/nfs/dbraw/zinc/80/41/37/558804137.db2.gz	KIAKGAJPWMTOMN-XMHGGMMESA-N	-1	1	419.872	4.013	50	0		HIAAMM
CCOC(=O)CSc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2	ZINC000017179851	558824973	/nfs/dbraw/zinc/82/49/73/558824973.db2.gz	ZJORVAHTBUQMKJ-HSZRJFAPSA-N	-1	1	412.555	4.486	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2OC)s1	ZINC000033007880	558828644	/nfs/dbraw/zinc/82/86/44/558828644.db2.gz	PRAKBBYUDXYYGI-UHFFFAOYSA-N	-1	1	419.528	4.071	50	0		HIAAMM
CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C)s1	ZINC000033007782	558828697	/nfs/dbraw/zinc/82/86/97/558828697.db2.gz	AVNYQBRMHJUZJY-UHFFFAOYSA-N	-1	1	403.529	4.487	50	0		HIAAMM
COCCC[N@H+]1CCc2nc(SCc3ccc(C(C)(C)C)cc3)[n-]c(=O)c2C1	ZINC000033141652	558893303	/nfs/dbraw/zinc/89/33/03/558893303.db2.gz	DHQGLUZZAQQENA-UHFFFAOYSA-N	-1	1	401.576	4.167	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(-c3ccccn3)n2)cc1)c1ccc(Cl)cc1	ZINC000033276494	559036229	/nfs/dbraw/zinc/03/62/29/559036229.db2.gz	IEDTYUFNVFXESO-UHFFFAOYSA-N	-1	1	412.858	4.253	50	0		HIAAMM
O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Br)c(F)c1	ZINC000095067925	559079137	/nfs/dbraw/zinc/07/91/37/559079137.db2.gz	WWUYIDAUNKNOMG-UHFFFAOYSA-N	-1	1	409.074	4.152	50	0		HIAAMM
COc1cc(OC)c(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1Cl	ZINC000011603821	559113152	/nfs/dbraw/zinc/11/31/52/559113152.db2.gz	FDQGSTMIVSKGIO-UHFFFAOYSA-N	-1	1	418.906	4.225	50	0		HIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1	ZINC000098072704	559126356	/nfs/dbraw/zinc/12/63/56/559126356.db2.gz	CAKZRNVYQDIPFE-UHFFFAOYSA-N	-1	1	410.211	4.277	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCC(C)CC5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827827	560802684	/nfs/dbraw/zinc/80/26/84/560802684.db2.gz	ZUSAOVNEIGQTAP-UHFFFAOYSA-N	-1	1	414.509	4.308	50	0		HIAAMM
CC1CCC(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)CC1	ZINC000102637754	560818792	/nfs/dbraw/zinc/81/87/92/560818792.db2.gz	AIWROXNYBNFJGD-UHFFFAOYSA-N	-1	1	418.472	4.266	50	0		HIAAMM
CC(C)CCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1	ZINC000101282214	560851631	/nfs/dbraw/zinc/85/16/31/560851631.db2.gz	NBRCEOOFCGPWKI-UHFFFAOYSA-N	-1	1	408.889	4.248	50	0		HIAAMM
CCCc1noc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)ccc2OC)n1	ZINC000046020215	568423877	/nfs/dbraw/zinc/42/38/77/568423877.db2.gz	FHHNQUKTAZQMSZ-UHFFFAOYSA-N	-1	1	401.488	4.115	50	0		HIAAMM
CCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421270	568450497	/nfs/dbraw/zinc/45/04/97/568450497.db2.gz	SHZLFBYSFSOFIX-QGZVFWFLSA-N	-1	1	424.570	4.093	50	0		HIAAMM
CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421246	568450518	/nfs/dbraw/zinc/45/05/18/568450518.db2.gz	METCDCWIZKWEOF-WBVHZDCISA-N	-1	1	424.570	4.091	50	0		HIAAMM
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[N-]N3CCCC3=O)cc12	ZINC000095457349	568618290	/nfs/dbraw/zinc/61/82/90/568618290.db2.gz	CTSHNDKVHIJAIK-UHFFFAOYSA-N	-1	1	423.325	4.029	50	0		HIAAMM
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1	ZINC000020978577	568654357	/nfs/dbraw/zinc/65/43/57/568654357.db2.gz	DUKBKJKFJJXDBF-UHFFFAOYSA-N	-1	1	402.472	4.030	50	0		HIAAMM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1	ZINC000226826018	568697753	/nfs/dbraw/zinc/69/77/53/568697753.db2.gz	NVIVEEWTUYRTIJ-DNVJHFABSA-N	-1	1	416.452	4.494	50	0		HIAAMM
O=S(=O)([N-]c1ccccc1Cc1nc(C2CC2)no1)c1ccc2c(c1)CCCC2	ZINC000096119616	568698916	/nfs/dbraw/zinc/69/89/16/568698916.db2.gz	PSFKUDXMDLZQIP-UHFFFAOYSA-N	-1	1	409.511	4.217	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1	ZINC000226986148	568698993	/nfs/dbraw/zinc/69/89/93/568698993.db2.gz	BTBCIESDFHRXTQ-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c1	ZINC000086057310	568753951	/nfs/dbraw/zinc/75/39/51/568753951.db2.gz	QUMUXWDWQMNWRP-GOSISDBHSA-N	-1	1	421.522	4.243	50	0		HIAAMM
Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012536009	568845421	/nfs/dbraw/zinc/84/54/21/568845421.db2.gz	GIBSLQZYZGBJES-UHFFFAOYSA-N	-1	1	411.321	4.153	50	0		HIAAMM
COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000012541755	568848757	/nfs/dbraw/zinc/84/87/57/568848757.db2.gz	RGQNUBLXSMSQTR-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1	ZINC000012552446	568854196	/nfs/dbraw/zinc/85/41/96/568854196.db2.gz	WIBHIMAATRTOJI-UHFFFAOYSA-N	-1	1	424.478	4.031	50	0		HIAAMM
CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000012735504	568924316	/nfs/dbraw/zinc/92/43/16/568924316.db2.gz	NBTBXHRUSNOHMJ-UHFFFAOYSA-N	-1	1	418.515	4.168	50	0		HIAAMM
CCOc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3C)s2)cc1	ZINC000007988914	568966066	/nfs/dbraw/zinc/96/60/66/568966066.db2.gz	CLISQVMENHGIME-KRWDZBQOSA-N	-1	1	402.903	4.465	50	0		HIAAMM
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2S1	ZINC000015730287	568980976	/nfs/dbraw/zinc/98/09/76/568980976.db2.gz	HJPKYCIZDGMBPU-SNVBAGLBSA-N	-1	1	416.446	4.329	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1sccc1C	ZINC000008346003	568994595	/nfs/dbraw/zinc/99/45/95/568994595.db2.gz	VMPSKLZUVFEOTA-AWEZNQCLSA-N	-1	1	419.572	4.282	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1	ZINC000015870340	569017259	/nfs/dbraw/zinc/01/72/59/569017259.db2.gz	OFXFRPRRQDRIAD-UHFFFAOYSA-N	-1	1	419.528	4.090	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1	ZINC000006510837	569062232	/nfs/dbraw/zinc/06/22/32/569062232.db2.gz	OJEFKDRTUHTFJY-UHFFFAOYSA-N	-1	1	408.951	4.275	50	0		HIAAMM
CCOc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000006576864	569066814	/nfs/dbraw/zinc/06/68/14/569066814.db2.gz	HEPOAYPHPZOHIU-ZRBLBEILSA-N	-1	1	414.461	4.136	50	0	aggregator	HIAAMM
COc1ccc2c(c1)n(Cc1ccc(F)cc1)c(C(=O)[O-])c2CNCc1ccco1	ZINC000006794647	569125642	/nfs/dbraw/zinc/12/56/42/569125642.db2.gz	HNOHLGFQUKXYED-UHFFFAOYSA-N	-1	1	408.429	4.418	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1Cl	ZINC000065009040	569153298	/nfs/dbraw/zinc/15/32/98/569153298.db2.gz	YYZBYNBBXCLCRL-UHFFFAOYSA-N	-1	1	411.936	4.228	50	0		HIAAMM
CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C	ZINC000065194595	569192835	/nfs/dbraw/zinc/19/28/35/569192835.db2.gz	ZPXMJUDOJMDUKU-UHFFFAOYSA-N	-1	1	422.457	4.131	50	0		HIAAMM
CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2C1=O	ZINC000065241556	569201780	/nfs/dbraw/zinc/20/17/80/569201780.db2.gz	LFQSCTUMAOVOCL-UHFFFAOYSA-N	-1	1	423.494	4.272	50	0		HIAAMM
O=C(Cn1c(=S)[n-]nc1-c1cccs1)NC1(c2ccc(F)cc2)CCCC1	ZINC000065591135	569236713	/nfs/dbraw/zinc/23/67/13/569236713.db2.gz	RXJJETNAYQWEKH-UHFFFAOYSA-N	-1	1	402.520	4.394	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1	ZINC000014241498	569259235	/nfs/dbraw/zinc/25/92/35/569259235.db2.gz	SMCAURFDWDJFFK-UHFFFAOYSA-N	-1	1	423.523	4.378	50	0		HIAAMM
COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2)cc1	ZINC000089644069	569261601	/nfs/dbraw/zinc/26/16/01/569261601.db2.gz	VBKWHOOALQFDCD-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000039975570	571135428	/nfs/dbraw/zinc/13/54/28/571135428.db2.gz	FDOPPUWYLVHHNQ-UHFFFAOYSA-N	-1	1	424.522	4.158	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1	ZINC000009468209	571261302	/nfs/dbraw/zinc/26/13/02/571261302.db2.gz	URNOQWVTKAXQQA-UHFFFAOYSA-N	-1	1	414.527	4.116	50	0		HIAAMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4cccc(C)c4)c(=O)[n-]3)nc12	ZINC000009485014	571262287	/nfs/dbraw/zinc/26/22/87/571262287.db2.gz	XSYMIAJHDSJSBC-UHFFFAOYSA-N	-1	1	415.497	4.371	50	0		HIAAMM
COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1	ZINC000009583359	571271144	/nfs/dbraw/zinc/27/11/44/571271144.db2.gz	OSCORIPCXPLHNO-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)cc1	ZINC000009590875	571271603	/nfs/dbraw/zinc/27/16/03/571271603.db2.gz	BOFJZKHWVUMFKR-UHFFFAOYSA-N	-1	1	422.506	4.237	50	0		HIAAMM
O=c1cc2nc(-c3cccs3)nc(SCCCOc3ccccc3Cl)n2[n-]1	ZINC000009641411	571275887	/nfs/dbraw/zinc/27/58/87/571275887.db2.gz	ODXJIIOPRJAJDH-UHFFFAOYSA-N	-1	1	418.931	4.361	50	0		HIAAMM
CCOC(=O)C1=C(NC(=O)c2ccc3ncsc3c2)[N-]c2ccccc2N=C1CC	ZINC000009963000	571292870	/nfs/dbraw/zinc/29/28/70/571292870.db2.gz	XTSRIMOGQPEXKG-UHFFFAOYSA-N	-1	1	420.494	4.409	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1	ZINC000006177558	845180589	/nfs/dbraw/zinc/18/05/89/845180589.db2.gz	JEIKCUAAXZNCRS-XNTDXEJSSA-N	-1	1	408.479	4.148	50	0		HIAAMM
CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000032904632	518589920	/nfs/dbraw/zinc/58/99/20/518589920.db2.gz	FGHSEGOOJNWXBQ-UHFFFAOYSA-N	-1	1	408.498	4.112	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc21	ZINC000032943885	519635156	/nfs/dbraw/zinc/63/51/56/519635156.db2.gz	NISGGDFTTJXNPI-GFCCVEGCSA-N	-1	1	410.948	4.296	50	0		HIAAMM
CC(C)Oc1ccc(-c2noc(CSc3nc(-c4ccncc4)cc(=O)[n-]3)n2)cc1	ZINC000044169509	519778273	/nfs/dbraw/zinc/77/82/73/519778273.db2.gz	KIUWRJASBLEKPA-UHFFFAOYSA-N	-1	1	421.482	4.374	50	0		HIAAMM
CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)nn2)CC1	ZINC000020554793	521038130	/nfs/dbraw/zinc/03/81/30/521038130.db2.gz	XJQOPGDFEQEMIE-UHFFFAOYSA-N	-1	1	408.527	4.181	50	0		HIAAMM
CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccco2)on1	ZINC000020572835	521384331	/nfs/dbraw/zinc/38/43/31/521384331.db2.gz	JVONLQFPOQRUBH-UHFFFAOYSA-N	-1	1	402.428	4.326	50	0		HIAAMM
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)n[n-]1	ZINC000390832688	521595384	/nfs/dbraw/zinc/59/53/84/521595384.db2.gz	XDLHAXRYTHUCTR-SWLSCSKDSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)[n-]1	ZINC000390832688	521595390	/nfs/dbraw/zinc/59/53/90/521595390.db2.gz	XDLHAXRYTHUCTR-SWLSCSKDSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)n1	ZINC000390832688	521595394	/nfs/dbraw/zinc/59/53/94/521595394.db2.gz	XDLHAXRYTHUCTR-SWLSCSKDSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CCC1	ZINC000040454914	522139538	/nfs/dbraw/zinc/13/95/38/522139538.db2.gz	WAROGQFSRGGMAP-GOSISDBHSA-N	-1	1	414.571	4.441	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1Cl	ZINC000032586882	525087336	/nfs/dbraw/zinc/08/73/36/525087336.db2.gz	PHQQSHGYBNOCPC-UHFFFAOYSA-N	-1	1	400.934	4.481	50	0		HIAAMM
Cc1csc(N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c2ccccc2)n1	ZINC000033150783	526372196	/nfs/dbraw/zinc/37/21/96/526372196.db2.gz	JPYVABICOOBKPG-UHFFFAOYSA-N	-1	1	419.528	4.100	50	0		HIAAMM
O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1	ZINC000032102783	527236427	/nfs/dbraw/zinc/23/64/27/527236427.db2.gz	HAUXSKRILPHWTO-UHFFFAOYSA-N	-1	1	400.188	4.203	50	0		HIAAMM
CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1ccco1	ZINC000000714273	557067364	/nfs/dbraw/zinc/06/73/64/557067364.db2.gz	YWRYZSRGYIUHDT-HXUWFJFHSA-N	-1	1	423.494	4.168	50	0		HIAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1	ZINC000000826754	557094153	/nfs/dbraw/zinc/09/41/53/557094153.db2.gz	JRPLJDIUMFKVOB-UHFFFAOYSA-N	-1	1	408.479	4.251	50	0		HIAAMM
Cc1cc(C(F)(F)F)cc(=N[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)[nH]1	ZINC000001024120	557144473	/nfs/dbraw/zinc/14/44/73/557144473.db2.gz	DVRUQUIGMXZAQU-UHFFFAOYSA-N	-1	1	400.209	4.021	50	0		HIAAMM
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000005041670	557628684	/nfs/dbraw/zinc/62/86/84/557628684.db2.gz	HEJHUHJARTZVSM-UHFFFAOYSA-N	-1	1	410.539	4.186	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)cc1OC	ZINC000006142809	557690469	/nfs/dbraw/zinc/69/04/69/557690469.db2.gz	QNNYPAYJOXCLMU-UHFFFAOYSA-N	-1	1	423.494	4.128	50	0		HIAAMM
Cc1ccc(C(=O)NC(=Cc2ccc(Br)cc2)c2n[n-]c(=S)[nH]2)cc1	ZINC000008667023	557799527	/nfs/dbraw/zinc/79/95/27/557799527.db2.gz	FQHKOFCTJHKJLZ-GDNBJRDFSA-N	-1	1	415.316	4.092	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2	ZINC000009569589	557845733	/nfs/dbraw/zinc/84/57/33/557845733.db2.gz	VGFKYDAJAVXQEV-QGZVFWFLSA-N	-1	1	413.543	4.400	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000011617317	558264836	/nfs/dbraw/zinc/26/48/36/558264836.db2.gz	IMBZULOOGXFZSO-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)n1	ZINC000023074851	558533039	/nfs/dbraw/zinc/53/30/39/558533039.db2.gz	UKHCRSDLXNOPLY-UHFFFAOYSA-N	-1	1	421.931	4.466	50	0		HIAAMM
CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000024432101	558597345	/nfs/dbraw/zinc/59/73/45/558597345.db2.gz	KCUDBGMJCHYJSJ-UHFFFAOYSA-N	-1	1	400.422	4.491	50	0		HIAAMM
COc1ccc(C)cc1[C@H](C)NC(=O)c1sc2[n-]c(-c3ccco3)nc(=O)c2c1C	ZINC000024769188	558611943	/nfs/dbraw/zinc/61/19/43/558611943.db2.gz	MWQWMCYNIALGSY-ZDUSSCGKSA-N	-1	1	423.494	4.361	50	0		HIAAMM
COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000015614875	558746292	/nfs/dbraw/zinc/74/62/92/558746292.db2.gz	HTVNKSJADKRCPQ-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1ccc(OCc2nc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)cs2)cc1	ZINC000016160061	558774289	/nfs/dbraw/zinc/77/42/89/558774289.db2.gz	HDXVEDCJUAJTRP-UHFFFAOYSA-N	-1	1	423.446	4.200	50	0		HIAAMM
CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)c2c(=O)[n-]c(SCC(C)C)nc2N1	ZINC000017243085	558826220	/nfs/dbraw/zinc/82/62/20/558826220.db2.gz	SJYMPLLSFJKPIH-OAHLLOKOSA-N	-1	1	419.572	4.363	50	0		HIAAMM
COc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[n-]3)nc(C)c2c1	ZINC000017879151	558828489	/nfs/dbraw/zinc/82/84/89/558828489.db2.gz	ABUJOOYVJXQEPR-UHFFFAOYSA-N	-1	1	421.888	4.326	50	0		HIAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	ZINC000018129586	558831748	/nfs/dbraw/zinc/83/17/48/558831748.db2.gz	ZUEMNPRILMWAIX-UHFFFAOYSA-N	-1	1	401.875	4.255	50	0		HIAAMM
Cc1cccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1	ZINC000033122833	558879346	/nfs/dbraw/zinc/87/93/46/558879346.db2.gz	OSFSMKXLFPVYGA-UHFFFAOYSA-N	-1	1	421.478	4.425	50	0		HIAAMM
CCOc1ccc(CN(CC)Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)cc1	ZINC000033126303	558883981	/nfs/dbraw/zinc/88/39/81/558883981.db2.gz	FUNYSTQWKGIVCQ-UHFFFAOYSA-N	-1	1	416.525	4.419	50	0		HIAAMM
C[C@@H](NC(=O)COC(=O)c1c([O-])cc(F)cc1F)c1ccc(Cl)c(Cl)c1	ZINC000058008007	558894665	/nfs/dbraw/zinc/89/46/65/558894665.db2.gz	JNRLDFRNVNGCQA-MRVPVSSYSA-N	-1	1	404.196	4.011	50	0		HIAAMM
CCC(CC)N(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1)C1CC1	ZINC000058323797	558919428	/nfs/dbraw/zinc/91/94/28/558919428.db2.gz	WHGUZJZWSRITJN-UHFFFAOYSA-N	-1	1	416.543	4.289	50	0		HIAAMM
O=C(c1cc(Cl)ccc1[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1	ZINC000022321146	558987730	/nfs/dbraw/zinc/98/77/30/558987730.db2.gz	CPQYMQGMOXJGJS-UHFFFAOYSA-N	-1	1	413.930	4.127	50	0		HIAAMM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1	ZINC000060093066	559053263	/nfs/dbraw/zinc/05/32/63/559053263.db2.gz	KKOBNJLVBHNGHR-UHFFFAOYSA-N	-1	1	401.488	4.058	50	0		HIAAMM
COc1cccc(CSc2nc(CC(=O)N3CCCc4ccccc43)cc(=O)[n-]2)c1	ZINC000023242632	559064794	/nfs/dbraw/zinc/06/47/94/559064794.db2.gz	RWCYKFOYTSYMJT-UHFFFAOYSA-N	-1	1	421.522	4.005	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1N1CCCCC1=O	ZINC000005330205	560565722	/nfs/dbraw/zinc/56/57/22/560565722.db2.gz	JCFXQXVBWXXRTA-UHFFFAOYSA-N	-1	1	410.495	4.166	50	0		HIAAMM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1	ZINC000017968468	560732599	/nfs/dbraw/zinc/73/25/99/560732599.db2.gz	NVIVEEWTUYRTIJ-ZLNRFVROSA-N	-1	1	416.452	4.494	50	0		HIAAMM
COc1ccc(N2OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1	ZINC000100889225	560761988	/nfs/dbraw/zinc/76/19/88/560761988.db2.gz	GKSKCRIAZYSLAD-VABKMULXSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100956407	560764651	/nfs/dbraw/zinc/76/46/51/560764651.db2.gz	GDTWGVYKXIFMTB-BDTNDASRSA-N	-1	1	402.425	4.185	50	0		HIAAMM
COC(=O)CCSc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2	ZINC000018088412	560774381	/nfs/dbraw/zinc/77/43/81/560774381.db2.gz	AIBSJYRYVKCZOS-QHCPKHFHSA-N	-1	1	412.555	4.486	50	0		HIAAMM
CC[C@H]1CCCCN1C(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1	ZINC000101828249	560802761	/nfs/dbraw/zinc/80/27/61/560802761.db2.gz	YOFQGTCLXQWIDA-KRWDZBQOSA-N	-1	1	400.482	4.223	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(C)=O	ZINC000024437239	560810551	/nfs/dbraw/zinc/81/05/51/560810551.db2.gz	BGZKVHRMHZAXQA-UHFFFAOYSA-N	-1	1	422.812	4.127	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCCC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101281873	560851694	/nfs/dbraw/zinc/85/16/94/560851694.db2.gz	HPUCYSFNEWWKAC-UHFFFAOYSA-N	-1	1	400.482	4.190	50	0		HIAAMM
O=C(CC1CCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000012128433	560889866	/nfs/dbraw/zinc/88/98/66/560889866.db2.gz	ICOWTIKUGSJMFK-UHFFFAOYSA-N	-1	1	403.486	4.019	50	0		HIAAMM
Nc1nc(SCc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1NC(=O)c1ccccc1	ZINC000012140418	560890237	/nfs/dbraw/zinc/89/02/37/560890237.db2.gz	FBQYSNFIYZUIQD-UHFFFAOYSA-N	-1	1	421.309	4.204	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1-c1nc(CC)no1	ZINC000046020116	568423873	/nfs/dbraw/zinc/42/38/73/568423873.db2.gz	QTPWQPCDWVZZJR-UHFFFAOYSA-N	-1	1	407.879	4.152	50	0		HIAAMM
CC[C@@H]1CCc2c(sc3nc(-c4cnn5c4nccc5C(F)(F)F)[n-]c(=O)c23)C1	ZINC000048273925	568434032	/nfs/dbraw/zinc/43/40/32/568434032.db2.gz	UBNBMDQRNMYQPA-SECBINFHSA-N	-1	1	419.432	4.228	50	0		HIAAMM
O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1[O-]	ZINC000048279707	568435826	/nfs/dbraw/zinc/43/58/26/568435826.db2.gz	YXMUHHSXRPCZRJ-UHFFFAOYSA-N	-1	1	402.494	4.492	50	0		HIAAMM
C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc3c2N(CCC3)C1=O	ZINC000005153995	568454655	/nfs/dbraw/zinc/45/46/55/568454655.db2.gz	HTGIJDSNBGPKAS-SNVBAGLBSA-N	-1	1	411.310	4.191	50	0		HIAAMM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(F)c1	ZINC000096118108	568697849	/nfs/dbraw/zinc/69/78/49/568697849.db2.gz	UZKJVLBIWQEWFS-YVEFUNNKSA-N	-1	1	405.495	4.340	50	0		HIAAMM
CCSc1nnc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1	ZINC000002726336	568803926	/nfs/dbraw/zinc/80/39/26/568803926.db2.gz	RLFSFSDUUBQYTB-UHFFFAOYSA-N	-1	1	408.512	4.150	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000030012841	568856149	/nfs/dbraw/zinc/85/61/49/568856149.db2.gz	MHEMTPOYZFHGLN-QGZVFWFLSA-N	-1	1	406.507	4.387	50	0		HIAAMM
Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1	ZINC000012560747	568858084	/nfs/dbraw/zinc/85/80/84/568858084.db2.gz	MPRRJLJKLKOWSB-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
Cc1ccc(S(=O)(=O)Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1	ZINC000003182653	568860264	/nfs/dbraw/zinc/86/02/64/568860264.db2.gz	OOZIDWWPZBDPMQ-UHFFFAOYSA-N	-1	1	413.339	4.108	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)C1CCCCC1	ZINC000003236046	568865688	/nfs/dbraw/zinc/86/56/88/568865688.db2.gz	LUXGTRGLIPWVBW-UHFFFAOYSA-N	-1	1	404.507	4.340	50	0		HIAAMM
CC(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl	ZINC000003515870	568911605	/nfs/dbraw/zinc/91/16/05/568911605.db2.gz	SCLQIUKFKFVKGX-UHFFFAOYSA-N	-1	1	401.315	4.180	50	0		HIAAMM
Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC(=O)c1ccc([O-])cc1O	ZINC000084068078	568935456	/nfs/dbraw/zinc/93/54/56/568935456.db2.gz	YYYZQDFBMNWPHC-UHFFFAOYSA-N	-1	1	411.357	4.074	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2C)cc1	ZINC000004036387	568935568	/nfs/dbraw/zinc/93/55/68/568935568.db2.gz	ADUVSWKPWNZVGK-UHFFFAOYSA-N	-1	1	411.508	4.476	50	0		HIAAMM
O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000008033383	568969458	/nfs/dbraw/zinc/96/94/58/568969458.db2.gz	NIADXSDFCPAHBO-UHFFFAOYSA-N	-1	1	414.914	4.113	50	0		HIAAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc2c1OCO2	ZINC000085411973	568986093	/nfs/dbraw/zinc/98/60/93/568986093.db2.gz	IJCJIJCDRBYSMA-SFHVURJKSA-N	-1	1	401.488	4.305	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccco2)cc1	ZINC000085876106	569009503	/nfs/dbraw/zinc/00/95/03/569009503.db2.gz	AZNSTOXYKIDNRM-AWEZNQCLSA-N	-1	1	404.374	4.208	50	0		HIAAMM
CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C)ccc2s1	ZINC000015870062	569017149	/nfs/dbraw/zinc/01/71/49/569017149.db2.gz	LOHAVQWEZMFAAP-UHFFFAOYSA-N	-1	1	409.920	4.407	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	ZINC000015882215	569018990	/nfs/dbraw/zinc/01/89/90/569018990.db2.gz	LSTKTDIPYMBXNM-UHFFFAOYSA-N	-1	1	408.527	4.243	50	0		HIAAMM
CC(C)(C)c1ccc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1	ZINC000012922569	569023324	/nfs/dbraw/zinc/02/33/24/569023324.db2.gz	GLUNKERXRORSIG-UHFFFAOYSA-N	-1	1	401.532	4.092	50	0		HIAAMM
CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]Cc3cccs3)o2)cc1	ZINC000035597444	569045716	/nfs/dbraw/zinc/04/57/16/569045716.db2.gz	IFZLKRCCKXSXAV-UHFFFAOYSA-N	-1	1	404.513	4.195	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1	ZINC000013001820	569049263	/nfs/dbraw/zinc/04/92/63/569049263.db2.gz	PESUYLFJWIZSAE-CYBMUJFWSA-N	-1	1	402.470	4.462	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1	ZINC000064862342	569110541	/nfs/dbraw/zinc/11/05/41/569110541.db2.gz	IMYIEZLPUMAABQ-UHFFFAOYSA-N	-1	1	413.543	4.201	50	0		HIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1	ZINC000065021287	569154445	/nfs/dbraw/zinc/15/44/45/569154445.db2.gz	XHUSREHJPNKZGH-UHFFFAOYSA-N	-1	1	412.555	4.392	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1F	ZINC000006935212	569186105	/nfs/dbraw/zinc/18/61/05/569186105.db2.gz	AXWVBNQJDYKZBZ-CQSZACIVSA-N	-1	1	402.491	4.013	50	0		HIAAMM
CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21	ZINC000016837552	569263393	/nfs/dbraw/zinc/26/33/93/569263393.db2.gz	PCBPLADAQSEGQR-UHFFFAOYSA-N	-1	1	400.544	4.474	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1oncc1-c1ccc(F)cc1	ZINC000017191673	569276540	/nfs/dbraw/zinc/27/65/40/569276540.db2.gz	RLPQFCZGHVIBGH-UHFFFAOYSA-N	-1	1	422.441	4.374	50	0		HIAAMM
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1O	ZINC000170639277	569281416	/nfs/dbraw/zinc/28/14/16/569281416.db2.gz	SVDDQKQRBLYBGF-UHFFFAOYSA-N	-1	1	416.886	4.407	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)C[C@@H]1c1ccco1	ZINC000253427612	569368449	/nfs/dbraw/zinc/36/84/49/569368449.db2.gz	NHXRTPBPYXBQDG-HXUWFJFHSA-N	-1	1	423.494	4.086	50	0		HIAAMM
CC(C)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)c1	ZINC000067298492	571072668	/nfs/dbraw/zinc/07/26/68/571072668.db2.gz	ZUMNYXWLEUKMJF-ZLWNKQBNSA-N	-1	1	406.482	4.403	50	0		HIAAMM
Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000040106655	571167184	/nfs/dbraw/zinc/16/71/84/571167184.db2.gz	SHWSDLTZSBULTG-QGZVFWFLSA-N	-1	1	410.495	4.202	50	0		HIAAMM
Cc1ccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000040106682	571167198	/nfs/dbraw/zinc/16/71/98/571167198.db2.gz	TWRQOUSLFDDNKT-UHFFFAOYSA-N	-1	1	410.495	4.122	50	0		HIAAMM
Cc1occc1-c1nnc([N-]c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)o1	ZINC000009154553	571231596	/nfs/dbraw/zinc/23/15/96/571231596.db2.gz	MECFHSSCWIZFJP-UHFFFAOYSA-N	-1	1	410.455	4.207	50	0		HIAAMM
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)on1	ZINC000009228272	571239365	/nfs/dbraw/zinc/23/93/65/571239365.db2.gz	XSCAHEMMHRSNDV-UHFFFAOYSA-N	-1	1	400.456	4.303	50	0		HIAAMM
O=C(Nc1cc(F)ccc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000009586491	571271454	/nfs/dbraw/zinc/27/14/54/571271454.db2.gz	YACUWYRADAIBAR-UHFFFAOYSA-N	-1	1	424.375	4.296	50	0		HIAAMM
CC[C@@H](NC(=O)Cc1n[n-]c(=S)n1Cc1ccccc1)c1ccc(Cl)cc1	ZINC000010423663	571302297	/nfs/dbraw/zinc/30/22/97/571302297.db2.gz	HMHQUDTZPNKSRJ-QGZVFWFLSA-N	-1	1	400.935	4.452	50	0		HIAAMM
Cc1ccc(/C=C\C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1	ZINC000098006936	852651319	/nfs/dbraw/zinc/65/13/19/852651319.db2.gz	JHBGGQPCBSCLHO-RAXLEYEMSA-N	-1	1	400.431	4.180	50	0		HIAAMM
COc1cc2c(cc1OC)-c1c([O-])c3c(=O)cc4c(c-3oc1CO2)C=CC(C)(C)O4	ZINC000013864652	291265338	/nfs/dbraw/zinc/26/53/38/291265338.db2.gz	HDDUSYQWBVKRGV-UHFFFAOYSA-N	-1	1	408.406	4.259	50	0	biogenic,in-vitro	HIAAMM
COc1cc2c(cc1OC)-c1c(=O)c3c([O-])cc4c(c3oc1CO2)C=CC(C)(C)O4	ZINC000013864652	291265340	/nfs/dbraw/zinc/26/53/40/291265340.db2.gz	HDDUSYQWBVKRGV-UHFFFAOYSA-N	-1	1	408.406	4.259	50	0	biogenic,in-vitro	HIAAMM
O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21	ZINC000005099604	132301115	/nfs/dbraw/zinc/30/11/15/132301115.db2.gz	CPTGQCZWDOULIQ-UHFFFAOYSA-N	-1	1	416.886	4.327	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc21	ZINC000006893040	132319747	/nfs/dbraw/zinc/31/97/47/132319747.db2.gz	RVGNTPSKNCBXPW-NSHDSACASA-N	-1	1	410.948	4.296	50	0		HIAAMM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1	ZINC000032097500	519104800	/nfs/dbraw/zinc/10/48/00/519104800.db2.gz	LIZLHUHGONRXKA-UHFFFAOYSA-N	-1	1	402.472	4.087	50	0		HIAAMM
O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F	ZINC000040288187	526396800	/nfs/dbraw/zinc/39/68/00/526396800.db2.gz	GOFZMFLIECIFBA-SFHVURJKSA-N	-1	1	414.824	4.080	50	0		HIAAMM
O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1	ZINC000020523392	527254215	/nfs/dbraw/zinc/25/42/15/527254215.db2.gz	XGKCPPRHZSDNBI-UHFFFAOYSA-N	-1	1	401.488	4.435	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3)CC2)[n-]c2c(-c3ccccc3F)csc21	ZINC000042379785	527439640	/nfs/dbraw/zinc/43/96/40/527439640.db2.gz	VOEUQDMTEXOXDN-UHFFFAOYSA-N	-1	1	406.486	4.117	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1F	ZINC000009403963	557017754	/nfs/dbraw/zinc/01/77/54/557017754.db2.gz	RLDFZBPMBKIQNO-UHFFFAOYSA-N	-1	1	415.471	4.307	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1	ZINC000000682495	557056561	/nfs/dbraw/zinc/05/65/61/557056561.db2.gz	RBSJXINEVKTXFF-UHFFFAOYSA-N	-1	1	415.296	4.390	50	0		HIAAMM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OC	ZINC000001044223	557155156	/nfs/dbraw/zinc/15/51/56/557155156.db2.gz	ONZLGXDUKKISJO-UHFFFAOYSA-N	-1	1	424.733	4.185	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1NC(=O)c1ccc(C)cc1	ZINC000001152806	557212315	/nfs/dbraw/zinc/21/23/15/557212315.db2.gz	NHPBKUQLWWFGKA-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)c1	ZINC000002885159	557421826	/nfs/dbraw/zinc/42/18/26/557421826.db2.gz	GBYZHEASKCBTSB-UHFFFAOYSA-N	-1	1	400.544	4.285	50	0		HIAAMM
CC1(c2ccccc2)COC(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)OC1	ZINC000004770420	557596440	/nfs/dbraw/zinc/59/64/40/557596440.db2.gz	DLMBDZKFZWHGNX-UHFFFAOYSA-N	-1	1	409.507	4.491	50	0		HIAAMM
COc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1cccc(C)n1	ZINC000004769763	557596457	/nfs/dbraw/zinc/59/64/57/557596457.db2.gz	OBJMFOCIERTKFT-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
CN1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c3cccc(c23)C1=O	ZINC000008715848	557801625	/nfs/dbraw/zinc/80/16/25/557801625.db2.gz	DSNUIAVELFOXKA-UHFFFAOYSA-N	-1	1	406.385	4.249	50	0		HIAAMM
C/C(=C\c1ccco1)CN(C)Cc1nc(-c2ccccc2[N-]S(C)(=O)=O)oc1C	ZINC000011909360	558296443	/nfs/dbraw/zinc/29/64/43/558296443.db2.gz	SXRZCQBJXDDWSF-NTCAYCPXSA-N	-1	1	415.515	4.150	50	0		HIAAMM
COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000020249465	558351842	/nfs/dbraw/zinc/35/18/42/558351842.db2.gz	ZIBIZTDJZFDSTM-UHFFFAOYSA-N	-1	1	413.524	4.305	50	0		HIAAMM
CCCOc1c(CNCc2ccc(C(=O)[O-])cc2)cc(Br)cc1OC	ZINC000020934282	558424390	/nfs/dbraw/zinc/42/43/90/558424390.db2.gz	HSHABDFQJUCAFC-UHFFFAOYSA-N	-1	1	408.292	4.235	50	0		HIAAMM
O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1	ZINC000022475031	558491782	/nfs/dbraw/zinc/49/17/82/558491782.db2.gz	NQLXGNPACVKGCN-UHFFFAOYSA-N	-1	1	419.446	4.159	50	0		HIAAMM
Cc1nc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)sc1C	ZINC000029582438	558717309	/nfs/dbraw/zinc/71/73/09/558717309.db2.gz	GUIKEFOBQAPXDG-UHFFFAOYSA-N	-1	1	415.540	4.430	50	0		HIAAMM
Cc1cc(=O)[n-]c(SCCCCOc2ccc(Cl)cc2Br)n1	ZINC000016382013	558788770	/nfs/dbraw/zinc/78/87/70/558788770.db2.gz	SEGNZTCTRWMTLU-UHFFFAOYSA-N	-1	1	403.729	4.446	50	0		HIAAMM
Cc1cc(C(=O)Nn2c(=O)c3cc(Cc4ccccc4)sc3[n-]c2=S)cs1	ZINC000017089657	558818257	/nfs/dbraw/zinc/81/82/57/558818257.db2.gz	IHFISNPHVDQLJW-UHFFFAOYSA-N	-1	1	413.549	4.465	50	0		HIAAMM
CCCc1c(=O)[n-]c(Nc2nc(C)c3cc(OC)ccc3n2)nc1-c1ccccc1	ZINC000017879122	558828476	/nfs/dbraw/zinc/82/84/76/558828476.db2.gz	TYZBTOQZXHAXEY-UHFFFAOYSA-N	-1	1	401.470	4.393	50	0		HIAAMM
Cc1csc(-c2ccc(NC(=O)NCCn3c(=S)[n-]nc3C(C)C)cc2)n1	ZINC000072313637	558840880	/nfs/dbraw/zinc/84/08/80/558840880.db2.gz	ZKUMYOTUSWGDJS-UHFFFAOYSA-N	-1	1	402.549	4.318	50	0		HIAAMM
O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1ccc(Cl)nc1Cl	ZINC000058358237	558921961	/nfs/dbraw/zinc/92/19/61/558921961.db2.gz	UQNXCRXZXGZHOQ-UHFFFAOYSA-N	-1	1	422.131	4.119	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc(F)cc1	ZINC000033276509	559036224	/nfs/dbraw/zinc/03/62/24/559036224.db2.gz	FSYWUBWULNORLM-UHFFFAOYSA-N	-1	1	413.405	4.483	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1	ZINC000011443424	559076367	/nfs/dbraw/zinc/07/63/67/559076367.db2.gz	JLNPZKXHUFTPDP-UHFFFAOYSA-N	-1	1	422.510	4.118	50	0		HIAAMM
Cc1cccc(C)c1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880174	559196200	/nfs/dbraw/zinc/19/62/00/559196200.db2.gz	KIRGJZJYPYDLDD-LJQANCHMSA-N	-1	1	400.525	4.023	50	0	aggregator	HIAAMM
COc1ccc(N2OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1	ZINC000004937672	559211080	/nfs/dbraw/zinc/21/10/80/559211080.db2.gz	GKSKCRIAZYSLAD-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100735058	559260770	/nfs/dbraw/zinc/26/07/70/559260770.db2.gz	AMUMQYGPZWXRAT-TZIWHRDSSA-N	-1	1	401.853	4.123	50	0		HIAAMM
COCCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1C	ZINC000046623927	560559793	/nfs/dbraw/zinc/55/97/93/560559793.db2.gz	GQPLDAQCKJCCOK-UHFFFAOYSA-N	-1	1	418.515	4.260	50	0		HIAAMM
CCCOc1c(Cl)cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1OC	ZINC000005436092	560586800	/nfs/dbraw/zinc/58/68/00/560586800.db2.gz	YTSYFLUIMAGRGY-UHFFFAOYSA-N	-1	1	418.829	4.306	50	0		HIAAMM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)nn1	ZINC000017315653	560708274	/nfs/dbraw/zinc/70/82/74/560708274.db2.gz	LRSXLWDKAADPJO-UHFFFAOYSA-N	-1	1	423.416	4.362	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000017747376	560725378	/nfs/dbraw/zinc/72/53/78/560725378.db2.gz	KKYZGWYOTCYEST-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1	ZINC000018080838	560774892	/nfs/dbraw/zinc/77/48/92/560774892.db2.gz	UJQNMNBTHKQQJN-CALCHBBNSA-N	-1	1	400.544	4.222	50	0		HIAAMM
O=C(c1ccc(Br)o1)c1c([O-])n(-c2ccccc2)nc1-c1ccccc1	ZINC000101087720	560775563	/nfs/dbraw/zinc/77/55/63/560775563.db2.gz	VYORCGFMSHUBNV-KRWDZBQOSA-N	-1	1	409.239	4.292	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C([O-])=C2ON1c1ccccc1	ZINC000101234375	560789478	/nfs/dbraw/zinc/78/94/78/560789478.db2.gz	VKESDKZNHVDEML-BDTNDASRSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1	ZINC000049421434	568450478	/nfs/dbraw/zinc/45/04/78/568450478.db2.gz	WPOWTQWXKLJQPA-INIZCTEOSA-N	-1	1	424.570	4.093	50	0		HIAAMM
CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1	ZINC000020442692	568607702	/nfs/dbraw/zinc/60/77/02/568607702.db2.gz	DGOHFJNZQHXKBT-LFAGZIFBSA-N	-1	1	420.509	4.037	50	0		HIAAMM
CC[C@H](C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1	ZINC000095453021	568615606	/nfs/dbraw/zinc/61/56/06/568615606.db2.gz	IBMGTRAHZXFQON-DOMZBBRYSA-N	-1	1	404.429	4.160	50	0		HIAAMM
Cc1ccc(-c2noc([C@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccccc3)n2)cc1	ZINC000096277296	568716189	/nfs/dbraw/zinc/71/61/89/568716189.db2.gz	XJZMGEDGQWUCFN-NRFANRHFSA-N	-1	1	419.506	4.307	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1	ZINC000012508439	568840116	/nfs/dbraw/zinc/84/01/16/568840116.db2.gz	MKLLNURUKDXLJW-UHFFFAOYSA-N	-1	1	414.458	4.278	50	0		HIAAMM
COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(Br)c1[O-]	ZINC000012623239	568877601	/nfs/dbraw/zinc/87/76/01/568877601.db2.gz	MRHPYHKQGLRXLF-UHFFFAOYSA-N	-1	1	404.182	4.112	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1C	ZINC000012605525	568871031	/nfs/dbraw/zinc/87/10/31/568871031.db2.gz	HTVMDSMIGJUBGT-UHFFFAOYSA-N	-1	1	408.523	4.376	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1C	ZINC000015669381	568961050	/nfs/dbraw/zinc/96/10/50/568961050.db2.gz	IHWDDFZIZXHWJL-UHFFFAOYSA-N	-1	1	423.538	4.042	50	0		HIAAMM
O=C(CSc1ncnc2sc(-c3ccccc3)cc21)[N-]C(=O)c1ccccc1	ZINC000006114554	569004976	/nfs/dbraw/zinc/00/49/76/569004976.db2.gz	SYBKGMYNGDVVDQ-UHFFFAOYSA-N	-1	1	405.504	4.407	50	0		HIAAMM
O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006147102	569007906	/nfs/dbraw/zinc/00/79/06/569007906.db2.gz	OXUTXAYHQIOBKX-VGOFMYFVSA-N	-1	1	414.433	4.418	50	0		HIAAMM
O=C(CCC(=O)c1ccc2c(c1)CCCC2)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000012862301	569011918	/nfs/dbraw/zinc/01/19/18/569011918.db2.gz	VPDVFKPFDJHMET-UHFFFAOYSA-N	-1	1	406.434	4.084	50	0		HIAAMM
O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccccc3)ccc2s1)c1ccccc1	ZINC000015870161	569017204	/nfs/dbraw/zinc/01/72/04/569017204.db2.gz	XBGQICNPLGHQOR-UHFFFAOYSA-N	-1	1	409.492	4.349	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2s1	ZINC000015870418	569017234	/nfs/dbraw/zinc/01/72/34/569017234.db2.gz	CHHDOGACDLWHFW-UHFFFAOYSA-N	-1	1	409.920	4.489	50	0		HIAAMM
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000006407794	569047043	/nfs/dbraw/zinc/04/70/43/569047043.db2.gz	AYGRAJJCCDZIDH-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CCC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1	ZINC000035684083	569049099	/nfs/dbraw/zinc/04/90/99/569049099.db2.gz	IISAETZLDLGYNJ-HXUWFJFHSA-N	-1	1	423.494	4.168	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1cccnc1	ZINC000524729551	569051632	/nfs/dbraw/zinc/05/16/32/569051632.db2.gz	YFWDUJQHZZFDPS-HNNXBMFYSA-N	-1	1	415.401	4.010	50	0		HIAAMM
C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1	ZINC000016642550	569061276	/nfs/dbraw/zinc/06/12/76/569061276.db2.gz	VWSPIKGUPGCMKH-ZDUSSCGKSA-N	-1	1	410.898	4.152	50	0		HIAAMM
CCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1	ZINC000064611797	569074427	/nfs/dbraw/zinc/07/44/27/569074427.db2.gz	WBHBIRXMTPRCEH-UHFFFAOYSA-N	-1	1	424.570	4.093	50	0		HIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1	ZINC000064837525	569104496	/nfs/dbraw/zinc/10/44/96/569104496.db2.gz	SDRLKUUYMVNCMJ-UHFFFAOYSA-N	-1	1	414.483	4.244	50	0		HIAAMM
O=C(Nc1cccc2cccnc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000036310413	569131661	/nfs/dbraw/zinc/13/16/61/569131661.db2.gz	IVBDAMIANHHKHZ-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1	ZINC000065021056	569154301	/nfs/dbraw/zinc/15/43/01/569154301.db2.gz	XRCBESDENBPPHL-UHFFFAOYSA-N	-1	1	418.584	4.490	50	0		HIAAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000006952560	569190314	/nfs/dbraw/zinc/19/03/14/569190314.db2.gz	ARCVYKYGCCFLKJ-QGZVFWFLSA-N	-1	1	413.543	4.398	50	0		HIAAMM
CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1C	ZINC000065194628	569192854	/nfs/dbraw/zinc/19/28/54/569192854.db2.gz	LLBIJKYKSGYRTK-UHFFFAOYSA-N	-1	1	418.494	4.301	50	0		HIAAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(-c3ccccc3)cc2)[n-]c1=O	ZINC000007422001	569237708	/nfs/dbraw/zinc/23/77/08/569237708.db2.gz	LDOUSQUVRYCVTQ-UHFFFAOYSA-N	-1	1	413.481	4.054	50	0		HIAAMM
O=S(=O)([N-]CCc1csc(-c2ccc(Cl)cc2)n1)c1cc(F)ccc1F	ZINC000017156819	569275969	/nfs/dbraw/zinc/27/59/69/569275969.db2.gz	HBDXASHUOSVVRN-UHFFFAOYSA-N	-1	1	414.886	4.263	50	0		HIAAMM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cs1	ZINC000007726348	569303242	/nfs/dbraw/zinc/30/32/42/569303242.db2.gz	CONFEBKBRMAUCO-UHFFFAOYSA-N	-1	1	402.497	4.081	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H]1CCCc2c3ccccc3[nH]c21	ZINC000253405917	569366027	/nfs/dbraw/zinc/36/60/27/569366027.db2.gz	IOMNXHICEHGRGX-FQEVSTJZSA-N	-1	1	402.450	4.025	50	0		HIAAMM
COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc(OC)c1	ZINC000067298032	571072192	/nfs/dbraw/zinc/07/21/92/571072192.db2.gz	BFEZDLAUARCZGZ-ATJXCDBQSA-N	-1	1	423.450	4.097	50	0		HIAAMM
CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O	ZINC000009168082	571233210	/nfs/dbraw/zinc/23/32/10/571233210.db2.gz	SWRTVKGJRPYYBQ-UHFFFAOYSA-N	-1	1	420.506	4.034	50	0		HIAAMM
Cc1cccc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1	ZINC000009640864	571275734	/nfs/dbraw/zinc/27/57/34/571275734.db2.gz	WUGMAVNOYUPTDW-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
CCn1cc(C(=O)c2cc(OC)ccc2[O-])cc1-c1nc2cc(Cl)ccc2c(=O)[nH]1	ZINC000009645027	571276156	/nfs/dbraw/zinc/27/61/56/571276156.db2.gz	CNASLUHJNJTVCZ-UHFFFAOYSA-N	-1	1	423.856	4.010	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1NC(C)=O	ZINC000010512310	571304018	/nfs/dbraw/zinc/30/40/18/571304018.db2.gz	YIUIDGJDTPOJDP-UHFFFAOYSA-N	-1	1	402.497	4.183	50	0		HIAAMM
C[C@@H]1c2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc3c2N(CCC3)C1=O	ZINC000102655073	571314326	/nfs/dbraw/zinc/31/43/26/571314326.db2.gz	DNWFAVPKPQWJCA-SNVBAGLBSA-N	-1	1	411.310	4.191	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1	ZINC000005136537	132302790	/nfs/dbraw/zinc/30/27/90/132302790.db2.gz	JBJMFTRKYSQCBF-UHFFFAOYSA-N	-1	1	410.495	4.290	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc21	ZINC000006779516	132315646	/nfs/dbraw/zinc/31/56/46/132315646.db2.gz	GZUWVIPSTHRPCJ-CQSZACIVSA-N	-1	1	404.557	4.458	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)cc1	ZINC000009529558	132340753	/nfs/dbraw/zinc/34/07/53/132340753.db2.gz	PULMRZZTKLRXEW-UHFFFAOYSA-N	-1	1	412.490	4.074	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc21	ZINC000032943887	519635542	/nfs/dbraw/zinc/63/55/42/519635542.db2.gz	BZRSQDFESIEZIG-GFCCVEGCSA-N	-1	1	410.948	4.296	50	0		HIAAMM
Cc1cccnc1[N-][C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O	ZINC000019939509	525544749	/nfs/dbraw/zinc/54/47/49/525544749.db2.gz	ZUCDNQNTTNECPM-FQEVSTJZSA-N	-1	1	414.387	4.143	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(C(F)(F)F)cn1	ZINC000032930117	527362011	/nfs/dbraw/zinc/36/20/11/527362011.db2.gz	ZVZQTAJRERKZQX-UHFFFAOYSA-N	-1	1	421.400	4.154	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2cccc(-c3cn4ccsc4n3)c2)c(C)cc1C	ZINC000000629455	557025158	/nfs/dbraw/zinc/02/51/58/557025158.db2.gz	LJKOWRQNNCFANZ-UHFFFAOYSA-N	-1	1	413.524	4.489	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)c1C	ZINC000000631041	557026415	/nfs/dbraw/zinc/02/64/15/557026415.db2.gz	KBIWZZPAEBWONZ-UHFFFAOYSA-N	-1	1	400.544	4.347	50	0		HIAAMM
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000000842255	557097947	/nfs/dbraw/zinc/09/79/47/557097947.db2.gz	CJLZZLREWSTMCR-HXUWFJFHSA-N	-1	1	405.475	4.326	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1	ZINC000001128645	557196924	/nfs/dbraw/zinc/19/69/24/557196924.db2.gz	LJSCNHQXAAOMEO-UHFFFAOYSA-N	-1	1	403.456	4.116	50	0		HIAAMM
COc1ccc(Cc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3)s2)cc1	ZINC000001149388	557209962	/nfs/dbraw/zinc/20/99/62/557209962.db2.gz	AJSBWLJCIVIURM-UHFFFAOYSA-N	-1	1	406.467	4.353	50	0		HIAAMM
CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccc(C)cc1)c1nnc([S-])n12	ZINC000001296957	557253837	/nfs/dbraw/zinc/25/38/37/557253837.db2.gz	HDMJKVLMYDVUEV-QHCPKHFHSA-N	-1	1	402.523	4.368	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1	ZINC000004809383	557599771	/nfs/dbraw/zinc/59/97/71/557599771.db2.gz	GJEUPIMNYGNYOL-UHFFFAOYSA-N	-1	1	406.511	4.495	50	0		HIAAMM
Cc1cc([O-])c(C2=NCCS[C@@H](c3cc(Cl)cc(Cl)c3O)C2)c(=O)o1	ZINC000005441526	558466711	/nfs/dbraw/zinc/46/67/11/558466711.db2.gz	VDWMOPQIXKHBRF-CQSZACIVSA-N	-1	1	400.283	4.334	50	0		HIAAMM
Cc1ccc2nc(-c3ccc(NC(=O)CSc4nccc(=O)[n-]4)cc3)sc2c1	ZINC000013878623	558599338	/nfs/dbraw/zinc/59/93/38/558599338.db2.gz	PLPBTNKDMPMZSQ-UHFFFAOYSA-N	-1	1	408.508	4.086	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cc(Cl)ccc1Cl	ZINC000013895123	558600340	/nfs/dbraw/zinc/60/03/40/558600340.db2.gz	XKGNYFGJZJLFHG-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1ccc(OCC(F)(F)F)cc1	ZINC000010979851	558634810	/nfs/dbraw/zinc/63/48/10/558634810.db2.gz	RJJCNHNCUKVRFC-UHFFFAOYSA-N	-1	1	414.434	4.249	50	0		HIAAMM
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1	ZINC000029243762	558712250	/nfs/dbraw/zinc/71/22/50/558712250.db2.gz	DLSMJYLDAYTPIN-IERDGZPVSA-N	-1	1	424.522	4.476	50	0		HIAAMM
CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1	ZINC000033115561	558761799	/nfs/dbraw/zinc/76/17/99/558761799.db2.gz	OWIULFRZQLNPHI-UHFFFAOYSA-N	-1	1	412.555	4.313	50	0		HIAAMM
CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	ZINC000033274840	558764615	/nfs/dbraw/zinc/76/46/15/558764615.db2.gz	MCUDINMJEUILHC-UHFFFAOYSA-N	-1	1	424.925	4.228	50	0		HIAAMM
CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)cc3)nc(=O)c2c1C	ZINC000016097360	558771713	/nfs/dbraw/zinc/77/17/13/558771713.db2.gz	WTLIAKKTXKTSOH-JTQLQIEISA-N	-1	1	420.874	4.041	50	0		HIAAMM
CCc1c(C)scc1C(=O)Nn1c(=O)c2c([n-]c1=S)sc1c2CCCC1	ZINC000017083253	558815738	/nfs/dbraw/zinc/81/57/38/558815738.db2.gz	JLJQMCVBHLGQGX-UHFFFAOYSA-N	-1	1	405.570	4.316	50	0		HIAAMM
O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021785022	558950188	/nfs/dbraw/zinc/95/01/88/558950188.db2.gz	BPFPLPFXYMHICP-CYBMUJFWSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)c1ccc([O-])cc1O	ZINC000011281108	559024442	/nfs/dbraw/zinc/02/44/42/559024442.db2.gz	WJSZTZSHIZBCNG-UHFFFAOYSA-N	-1	1	411.414	4.053	50	0		HIAAMM
COc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1	ZINC000033276415	559036177	/nfs/dbraw/zinc/03/61/77/559036177.db2.gz	CVTRWQLSFCVMHE-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(F)c2)n1	ZINC000011855570	559262327	/nfs/dbraw/zinc/26/23/27/559262327.db2.gz	RRSGHXCDSCSLHB-UHFFFAOYSA-N	-1	1	423.473	4.199	50	0		HIAAMM
C[C@@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000011902921	559265799	/nfs/dbraw/zinc/26/57/99/559265799.db2.gz	CUXODPNSUWHBIF-CQSZACIVSA-N	-1	1	407.495	4.170	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O	ZINC000005329939	560565682	/nfs/dbraw/zinc/56/56/82/560565682.db2.gz	PYWVPVMJGXLIAO-UHFFFAOYSA-N	-1	1	410.495	4.166	50	0		HIAAMM
O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1cc(Cl)sc1Cl	ZINC000062022981	560567573	/nfs/dbraw/zinc/56/75/73/560567573.db2.gz	FIYKXEGCOJRJJD-VIFPVBQESA-N	-1	1	423.281	4.211	50	0		HIAAMM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21	ZINC000005652216	560636603	/nfs/dbraw/zinc/63/66/03/560636603.db2.gz	DIEMTDFIRRQLTD-UHFFFAOYSA-N	-1	1	408.479	4.386	50	0		HIAAMM
CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018099508	560775654	/nfs/dbraw/zinc/77/56/54/560775654.db2.gz	JFIYDXQRDDANTE-ZLNRFVROSA-N	-1	1	414.461	4.136	50	0		HIAAMM
CC1CCN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)CC1	ZINC000101827673	560802506	/nfs/dbraw/zinc/80/25/06/560802506.db2.gz	XEWKVYQDARASAW-UHFFFAOYSA-N	-1	1	420.900	4.344	50	0		HIAAMM
Cc1cc(C)c(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)c(Cl)c1	ZINC000102836727	560829855	/nfs/dbraw/zinc/82/98/55/560829855.db2.gz	XZYBJKULNWQWLT-UHFFFAOYSA-N	-1	1	407.923	4.065	50	0		HIAAMM
CC[C@H]1CCc2c(sc3nc(-c4cnn5c4nccc5C(F)(F)F)[n-]c(=O)c23)C1	ZINC000048273928	568434038	/nfs/dbraw/zinc/43/40/38/568434038.db2.gz	UBNBMDQRNMYQPA-VIFPVBQESA-N	-1	1	419.432	4.228	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3N3CCc4ccccc43)ccc2N1	ZINC000048325457	568438697	/nfs/dbraw/zinc/43/86/97/568438697.db2.gz	BDUILABUCDDGCH-UHFFFAOYSA-N	-1	1	419.506	4.066	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)c(C)c1	ZINC000005204353	568455400	/nfs/dbraw/zinc/45/54/00/568455400.db2.gz	YZNLFOOALFMVMZ-UHFFFAOYSA-N	-1	1	419.506	4.112	50	0		HIAAMM
CC[C@@H](C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1	ZINC000095453024	568615657	/nfs/dbraw/zinc/61/56/57/568615657.db2.gz	IBMGTRAHZXFQON-SWLSCSKDSA-N	-1	1	404.429	4.160	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1	ZINC000021089760	568663915	/nfs/dbraw/zinc/66/39/15/568663915.db2.gz	GEUPRIOPYBVLCG-UHFFFAOYSA-N	-1	1	408.527	4.107	50	0		HIAAMM
O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2cccc(O)c2)CC(=O)O1	ZINC000096115414	568694997	/nfs/dbraw/zinc/69/49/97/568694997.db2.gz	JJWSFBNOCLGOQV-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2	ZINC000096115414	568695000	/nfs/dbraw/zinc/69/50/00/568695000.db2.gz	JJWSFBNOCLGOQV-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
COC(=O)C[C@@H](c1ccc(Br)s1)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096117397	568696860	/nfs/dbraw/zinc/69/68/60/568696860.db2.gz	HSMXCQUDJZFWPE-LBPRGKRZSA-N	-1	1	421.316	4.225	50	0		HIAAMM
COC(=O)C[C@H](c1ccc(Br)s1)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096117398	568697053	/nfs/dbraw/zinc/69/70/53/568697053.db2.gz	HSMXCQUDJZFWPE-GFCCVEGCSA-N	-1	1	421.316	4.225	50	0		HIAAMM
CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000226872535	568698289	/nfs/dbraw/zinc/69/82/89/568698289.db2.gz	JFIYDXQRDDANTE-YTFSRNRJSA-N	-1	1	414.461	4.136	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1-c1nnc(C2CC2)o1	ZINC000096379655	568741255	/nfs/dbraw/zinc/74/12/55/568741255.db2.gz	QEMBVLBBHGMQHE-UHFFFAOYSA-N	-1	1	410.858	4.152	50	0		HIAAMM
CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c1	ZINC000086057197	568753796	/nfs/dbraw/zinc/75/37/96/568753796.db2.gz	HZWXSOHKFKFVMD-SFHVURJKSA-N	-1	1	421.522	4.243	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@@H]1c1ccccc1C(F)(F)F	ZINC000000973556	568759379	/nfs/dbraw/zinc/75/93/79/568759379.db2.gz	JPBNPJKPSANFNL-GFCCVEGCSA-N	-1	1	411.405	4.258	50	0		HIAAMM
O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000002631209	568791030	/nfs/dbraw/zinc/79/10/30/568791030.db2.gz	RBJQKQBBSYKYBZ-UHFFFAOYSA-N	-1	1	406.935	4.451	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCC(C)CC3)cc2)c1	ZINC000002657007	568797893	/nfs/dbraw/zinc/79/78/93/568797893.db2.gz	ZRGDZJSNFYUBGW-UHFFFAOYSA-N	-1	1	400.544	4.413	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)ccc1F	ZINC000012548528	568851738	/nfs/dbraw/zinc/85/17/38/568851738.db2.gz	RWAFFQULQVTTJE-UHFFFAOYSA-N	-1	1	416.449	4.004	50	0		HIAAMM
O=C(OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000003268392	568870105	/nfs/dbraw/zinc/87/01/05/568870105.db2.gz	YBEXOKWDCXDRHB-UHFFFAOYSA-N	-1	1	401.871	4.498	50	0		HIAAMM
CN(Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-]	ZINC000299793130	568876098	/nfs/dbraw/zinc/87/60/98/568876098.db2.gz	KKFXYKIEECDRDX-UHFFFAOYSA-N	-1	1	411.479	4.239	50	0		HIAAMM
O=C(Nc1ccc(Cl)cc1)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880166	568940972	/nfs/dbraw/zinc/94/09/72/568940972.db2.gz	GJXGIFCKSAHJSL-QGZVFWFLSA-N	-1	1	406.916	4.060	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C	ZINC000004270387	568956856	/nfs/dbraw/zinc/95/68/56/568956856.db2.gz	SQXSILJBQIQXJX-UHFFFAOYSA-N	-1	1	419.506	4.112	50	0		HIAAMM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3ccc(Cl)cc3)s1)C2=O	ZINC000008190014	568981078	/nfs/dbraw/zinc/98/10/78/568981078.db2.gz	ZVUWDBPVTVPOHH-UHFFFAOYSA-N	-1	1	417.918	4.214	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccco2)cc1	ZINC000085876108	569009512	/nfs/dbraw/zinc/00/95/12/569009512.db2.gz	AZNSTOXYKIDNRM-CQSZACIVSA-N	-1	1	404.374	4.208	50	0		HIAAMM
CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2s1	ZINC000015870299	569017206	/nfs/dbraw/zinc/01/72/06/569017206.db2.gz	UQRAOSLSCOEUOB-UHFFFAOYSA-N	-1	1	409.920	4.345	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OCC)cc3)ccc2s1	ZINC000015870424	569017275	/nfs/dbraw/zinc/01/72/75/569017275.db2.gz	IIDRJZZFONAEQL-UHFFFAOYSA-N	-1	1	419.528	4.234	50	0		HIAAMM
CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2s1	ZINC000015870336	569017294	/nfs/dbraw/zinc/01/72/94/569017294.db2.gz	OIGRTSZNHMQTDD-UHFFFAOYSA-N	-1	1	409.920	4.345	50	0		HIAAMM
COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1	ZINC000089444368	569060574	/nfs/dbraw/zinc/06/05/74/569060574.db2.gz	GTXAHKBPDFWSOP-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CCOC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(Cl)c4)c3[n-]2)CC1	ZINC000064611594	569074500	/nfs/dbraw/zinc/07/45/00/569074500.db2.gz	UDAKVXRQCWUHON-UHFFFAOYSA-N	-1	1	417.918	4.085	50	0		HIAAMM
O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000006636456	569076553	/nfs/dbraw/zinc/07/65/53/569076553.db2.gz	KPKKVEDANJHYOA-UHFFFAOYSA-N	-1	1	406.916	4.384	50	0		HIAAMM
O=C1C[C@H](c2cccc(O)c2)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1	ZINC000006748291	569108530	/nfs/dbraw/zinc/10/85/30/569108530.db2.gz	PAIDQWDPARGWEK-CQSZACIVSA-N	-1	1	413.886	4.308	50	0		HIAAMM
Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1F)CC(=O)N2	ZINC000006748321	569108556	/nfs/dbraw/zinc/10/85/56/569108556.db2.gz	LRURQYMQYQBIET-CQSZACIVSA-N	-1	1	413.449	4.123	50	0		HIAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1	ZINC000065021052	569154252	/nfs/dbraw/zinc/15/42/52/569154252.db2.gz	STAWFHMCHUYMAM-UHFFFAOYSA-N	-1	1	400.544	4.384	50	0		HIAAMM
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc21	ZINC000065021186	569154374	/nfs/dbraw/zinc/15/43/74/569154374.db2.gz	BADRBGCQYZOLGA-UHFFFAOYSA-N	-1	1	404.919	4.175	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1ccncc1	ZINC000524729722	569211847	/nfs/dbraw/zinc/21/18/47/569211847.db2.gz	GQONJKGFWFTFAV-OAHLLOKOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CC(=O)Nc3ccccc3)cc2)cc1	ZINC000003067609	569236213	/nfs/dbraw/zinc/23/62/13/569236213.db2.gz	ROKUXCPGXCMWPA-UHFFFAOYSA-N	-1	1	408.479	4.007	50	0		HIAAMM
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000007478508	569240357	/nfs/dbraw/zinc/24/03/57/569240357.db2.gz	VJBXOUJIIOSKKY-UHFFFAOYSA-N	-1	1	410.813	4.003	50	0		HIAAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1	ZINC000013697145	569257324	/nfs/dbraw/zinc/25/73/24/569257324.db2.gz	ZCEQMPAUGSUSNI-UHFFFAOYSA-N	-1	1	421.522	4.209	50	0		HIAAMM
Cc1c([N-]S(=O)(=O)c2ccc(C)cc2Br)n[nH]c1-c1ccccc1	ZINC000089611854	569261170	/nfs/dbraw/zinc/26/11/70/569261170.db2.gz	VEQCKACQDNPGHG-UHFFFAOYSA-N	-1	1	406.305	4.257	50	0		HIAAMM
Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000014713368	569270449	/nfs/dbraw/zinc/27/04/49/569270449.db2.gz	AROWRMWTJVQNRX-UHFFFAOYSA-N	-1	1	424.345	4.135	50	0		HIAAMM
Cc1ccc(OCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)cc1Cl	ZINC000008673352	571100751	/nfs/dbraw/zinc/10/07/51/571100751.db2.gz	UVEPBEQRCAHYLJ-UHFFFAOYSA-N	-1	1	418.931	4.279	50	0		HIAAMM
CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1	ZINC000040146648	571196461	/nfs/dbraw/zinc/19/64/61/571196461.db2.gz	FWIZLWAVBKIZAA-UHFFFAOYSA-N	-1	1	409.920	4.489	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2OCC(C)(C)C1=O	ZINC000009167415	571233100	/nfs/dbraw/zinc/23/31/00/571233100.db2.gz	YTMWUJXJUCVLFL-UHFFFAOYSA-N	-1	1	416.543	4.211	50	0		HIAAMM
Cc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000009223235	571238672	/nfs/dbraw/zinc/23/86/72/571238672.db2.gz	UQGHXADFRMKXAC-UHFFFAOYSA-N	-1	1	420.412	4.465	50	0		HIAAMM
COc1ccccc1-c1cc(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2o1	ZINC000009572631	571269247	/nfs/dbraw/zinc/26/92/47/571269247.db2.gz	WOTFMVRMSYOLIS-UHFFFAOYSA-N	-1	1	407.447	4.269	50	0		HIAAMM
CCCn1c2ccccc2nc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000010652854	571307425	/nfs/dbraw/zinc/30/74/25/571307425.db2.gz	OQQRNWYJIMTRNR-UHFFFAOYSA-N	-1	1	422.514	4.015	50	0		HIAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CCC2	ZINC000005136538	132302815	/nfs/dbraw/zinc/30/28/15/132302815.db2.gz	DIQWJZGRYRHHAU-UHFFFAOYSA-N	-1	1	414.458	4.121	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccc(F)c1	ZINC000008609826	132331600	/nfs/dbraw/zinc/33/16/00/132331600.db2.gz	PEUUNRSEELZWBQ-UHFFFAOYSA-N	-1	1	412.490	4.074	50	0		HIAAMM
O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000032898929	526603148	/nfs/dbraw/zinc/60/31/48/526603148.db2.gz	FSTYKZLYRGQICB-UHFFFAOYSA-N	-1	1	415.493	4.190	50	0		HIAAMM
CCOc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1	ZINC000000683238	557057143	/nfs/dbraw/zinc/05/71/43/557057143.db2.gz	QQGLPXSOZDRWNJ-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000001050851	557159698	/nfs/dbraw/zinc/15/96/98/557159698.db2.gz	RHVJXDLSMBPTPO-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1	ZINC000001128057	557196370	/nfs/dbraw/zinc/19/63/70/557196370.db2.gz	LQJPPMZYOVJAJA-UHFFFAOYSA-N	-1	1	408.523	4.077	50	0		HIAAMM
CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1	ZINC000002881605	557419769	/nfs/dbraw/zinc/41/97/69/557419769.db2.gz	JNYCYUPMNMSCGU-UHFFFAOYSA-N	-1	1	408.479	4.251	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2	ZINC000007990959	557769257	/nfs/dbraw/zinc/76/92/57/557769257.db2.gz	QXQBGMNJPOOQLT-OAHLLOKOSA-N	-1	1	419.934	4.320	50	0		HIAAMM
CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[n-]c(=O)c32)cc1OC	ZINC000008739441	557803441	/nfs/dbraw/zinc/80/34/41/557803441.db2.gz	WVIIDDIGLHNECG-KRWDZBQOSA-N	-1	1	419.481	4.099	50	0		HIAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000008844236	557811783	/nfs/dbraw/zinc/81/17/83/557811783.db2.gz	JRMHOEFQTWPBQJ-UHFFFAOYSA-N	-1	1	417.840	4.052	50	0		HIAAMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000020440494	558363504	/nfs/dbraw/zinc/36/35/04/558363504.db2.gz	QDPUASXKIFAZJE-KRWDZBQOSA-N	-1	1	416.271	4.221	50	0		HIAAMM
O=c1[n-]c(=S)n(-c2ccc(Cl)cc2)c2c1CN(CCCc1ccccc1)CN2	ZINC000020522054	558383656	/nfs/dbraw/zinc/38/36/56/558383656.db2.gz	HJPPRYKBILRTRV-UHFFFAOYSA-N	-1	1	412.946	4.366	50	0		HIAAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1	ZINC000012980634	558493457	/nfs/dbraw/zinc/49/34/57/558493457.db2.gz	HODPGKDMANQNII-UHFFFAOYSA-N	-1	1	402.494	4.487	50	0		HIAAMM
COc1ccc(Br)cc1-c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1	ZINC000025667265	558647237	/nfs/dbraw/zinc/64/72/37/558647237.db2.gz	JUOMUZYTYPYGOJ-UHFFFAOYSA-N	-1	1	405.273	4.053	50	0		HIAAMM
COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000027063391	558669277	/nfs/dbraw/zinc/66/92/77/558669277.db2.gz	SESDPHMBWTYXQU-UHFFFAOYSA-N	-1	1	422.506	4.089	50	0		HIAAMM
CC(C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1	ZINC000033115356	558761622	/nfs/dbraw/zinc/76/16/22/558761622.db2.gz	LHDJMNJKXOMWPO-UHFFFAOYSA-N	-1	1	414.571	4.341	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1	ZINC000015981413	558765425	/nfs/dbraw/zinc/76/54/25/558765425.db2.gz	FUIALEYKEZFDDC-UHFFFAOYSA-N	-1	1	409.511	4.032	50	0		HIAAMM
CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1	ZINC000058304511	558917734	/nfs/dbraw/zinc/91/77/34/558917734.db2.gz	XQPHWRDIVOOVEP-JOCHJYFZSA-N	-1	1	416.521	4.244	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)/C=C\c3ccccc3)c2)cc1	ZINC000096640033	558983407	/nfs/dbraw/zinc/98/34/07/558983407.db2.gz	JEIKCUAAXZNCRS-GDNBJRDFSA-N	-1	1	408.479	4.148	50	0		HIAAMM
CC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1	ZINC000023074950	558999016	/nfs/dbraw/zinc/99/90/16/558999016.db2.gz	VMZFCYKCXVRPOX-UHFFFAOYSA-N	-1	1	416.421	4.371	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1)c1ccccc1	ZINC000033276421	559036208	/nfs/dbraw/zinc/03/62/08/559036208.db2.gz	BOSOLLFAWGEFBC-UHFFFAOYSA-N	-1	1	409.442	4.267	50	0		HIAAMM
O=C(c1ccc(-c2cc(Cl)cc(Cl)c2)s1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000253404447	559280369	/nfs/dbraw/zinc/28/03/69/559280369.db2.gz	KVTSJEMQUDCCRJ-SNVBAGLBSA-N	-1	1	423.325	4.153	50	0		HIAAMM
O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccccc1-c1cn2ccsc2n1	ZINC000206908175	560749223	/nfs/dbraw/zinc/74/92/23/560749223.db2.gz	AWZDAPINGFKSSX-UHFFFAOYSA-N	-1	1	405.451	4.283	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1	ZINC000101038463	560767087	/nfs/dbraw/zinc/76/70/87/560767087.db2.gz	BTBCIESDFHRXTQ-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1	ZINC000101105320	560786104	/nfs/dbraw/zinc/78/61/04/560786104.db2.gz	ZJGYCTPYSNYSNS-BDTNDASRSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101228680	560789288	/nfs/dbraw/zinc/78/92/88/560789288.db2.gz	JFIYDXQRDDANTE-ZRBLBEILSA-N	-1	1	414.461	4.136	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCCCCC5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827842	560802618	/nfs/dbraw/zinc/80/26/18/560802618.db2.gz	RSADYCYIDCEIGL-UHFFFAOYSA-N	-1	1	414.509	4.452	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[n-]cc-3c2=O)cc1	ZINC000101281903	560851637	/nfs/dbraw/zinc/85/16/37/560851637.db2.gz	VEVAJXSZYHLUDD-UHFFFAOYSA-N	-1	1	408.461	4.057	50	0		HIAAMM
CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2sc1=O	ZINC000046017562	568423724	/nfs/dbraw/zinc/42/37/24/568423724.db2.gz	GDLVRKALHOAXKK-UHFFFAOYSA-N	-1	1	402.541	4.324	50	0		HIAAMM
CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421247	568450608	/nfs/dbraw/zinc/45/06/08/568450608.db2.gz	METCDCWIZKWEOF-RDJZCZTQSA-N	-1	1	424.570	4.091	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1	ZINC000000631089	568456443	/nfs/dbraw/zinc/45/64/43/568456443.db2.gz	UJQNMNBTHKQQJN-IRXDYDNUSA-N	-1	1	400.544	4.222	50	0		HIAAMM
CCOC(=O)c1c(N2C(=O)Nc3ccccc3N2O)n[n-]c1-c1ccc(Cl)cc1	ZINC000020355753	568599936	/nfs/dbraw/zinc/59/99/36/568599936.db2.gz	TVFOYWLOLFOXLV-UHFFFAOYSA-N	-1	1	413.821	4.070	50	0		HIAAMM
CCOC(=O)c1c(-c2ccc(Cl)cc2)n[n-]c1N1C(=O)Nc2ccccc2N1O	ZINC000020355753	568599937	/nfs/dbraw/zinc/59/99/37/568599937.db2.gz	TVFOYWLOLFOXLV-UHFFFAOYSA-N	-1	1	413.821	4.070	50	0		HIAAMM
O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000020464052	568610036	/nfs/dbraw/zinc/61/00/36/568610036.db2.gz	SJTXMCVFCCDYIF-LBPRGKRZSA-N	-1	1	417.412	4.366	50	0		HIAAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1O	ZINC000095477637	568631238	/nfs/dbraw/zinc/63/12/38/568631238.db2.gz	YWKHDSFZXZXVLQ-CXAGYDPISA-N	-1	1	403.504	4.319	50	0		HIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1)[nH]c1c2C(=O)CCC1	ZINC000020990525	568655794	/nfs/dbraw/zinc/65/57/94/568655794.db2.gz	ZEZYWUBJBVWBFC-UHFFFAOYSA-N	-1	1	400.475	4.498	50	0		HIAAMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(-c3ccno3)c1)[nH]c1c2C(=O)CCC1	ZINC000020990322	568655815	/nfs/dbraw/zinc/65/58/15/568655815.db2.gz	KJPPYIDMGMZBAT-UHFFFAOYSA-N	-1	1	421.478	4.451	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C([O-])=C2ON1c1ccccc1	ZINC000226918524	568698981	/nfs/dbraw/zinc/69/89/81/568698981.db2.gz	VKESDKZNHVDEML-YPAWHYETSA-N	-1	1	402.425	4.185	50	0		HIAAMM
COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096221519	568705098	/nfs/dbraw/zinc/70/50/98/568705098.db2.gz	MPIKOVFPIHOETH-HNNXBMFYSA-N	-1	1	415.401	4.361	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1-c1nnc(C2CC2)o1	ZINC000096379669	568741413	/nfs/dbraw/zinc/74/14/13/568741413.db2.gz	BAKGPVJURUQQFN-UHFFFAOYSA-N	-1	1	410.858	4.152	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)c1	ZINC000002646794	568795324	/nfs/dbraw/zinc/79/53/24/568795324.db2.gz	LVDWHCNYPKGHMT-UHFFFAOYSA-N	-1	1	408.523	4.158	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C2CCC(C)CC2)cc1	ZINC000012508280	568840111	/nfs/dbraw/zinc/84/01/11/568840111.db2.gz	GDIITBVVIZWUSD-UHFFFAOYSA-N	-1	1	400.544	4.447	50	0		HIAAMM
Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000012520476	568841296	/nfs/dbraw/zinc/84/12/96/568841296.db2.gz	SKTCUENCKCYWCN-UHFFFAOYSA-N	-1	1	424.457	4.064	50	0		HIAAMM
CN(Cc1ccsc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000012536025	568845424	/nfs/dbraw/zinc/84/54/24/568845424.db2.gz	VTQQALAUPVVGIP-UHFFFAOYSA-N	-1	1	422.478	4.099	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)-c2ccccc2C3)ccc1NC(C)=O	ZINC000003338236	568883068	/nfs/dbraw/zinc/88/30/68/568883068.db2.gz	YAKCZGAIJDUENI-UHFFFAOYSA-N	-1	1	408.479	4.026	50	0		HIAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N(C)Cc1cccs1	ZINC000031528537	568927534	/nfs/dbraw/zinc/92/75/34/568927534.db2.gz	HRXZBCYTQJTLDO-UHFFFAOYSA-N	-1	1	413.568	4.023	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])[C@H]1CC=CCC1	ZINC000012778709	568956337	/nfs/dbraw/zinc/95/63/37/568956337.db2.gz	WOPCXNNUDYXTRG-ZDUSSCGKSA-N	-1	1	406.891	4.141	50	0		HIAAMM
CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)ccc2s1	ZINC000015870123	569017190	/nfs/dbraw/zinc/01/71/90/569017190.db2.gz	GCJUVTOFCPDPIY-UHFFFAOYSA-N	-1	1	403.529	4.254	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4n3C)c2)c1	ZINC000015870566	569017345	/nfs/dbraw/zinc/01/73/45/569017345.db2.gz	HFDVDHPFWJWEIA-UHFFFAOYSA-N	-1	1	405.523	4.468	50	0		HIAAMM
C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)C1	ZINC000036354826	569148103	/nfs/dbraw/zinc/14/81/03/569148103.db2.gz	UKBAPZSOPYWEPF-SAHWJRBASA-N	-1	1	420.509	4.491	50	0		HIAAMM
O=C(CSc1ccc(F)cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000036390761	569166001	/nfs/dbraw/zinc/16/60/01/569166001.db2.gz	QWVSMFMHTMOCIR-UHFFFAOYSA-N	-1	1	416.499	4.357	50	0		HIAAMM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000065116309	569179811	/nfs/dbraw/zinc/17/98/11/569179811.db2.gz	KOXCITKSMJLLAN-UHFFFAOYSA-N	-1	1	413.499	4.280	50	0		HIAAMM
O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21	ZINC000013696302	569257075	/nfs/dbraw/zinc/25/70/75/569257075.db2.gz	KHZTUJCJXMKSNW-UHFFFAOYSA-N	-1	1	422.909	4.359	50	0		HIAAMM
COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(F)cc2Cl)c1	ZINC000027527449	569363977	/nfs/dbraw/zinc/36/39/77/569363977.db2.gz	GDHPCUPZJWDGAW-UHFFFAOYSA-N	-1	1	423.831	4.249	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)c1	ZINC000013351104	569411200	/nfs/dbraw/zinc/41/12/00/569411200.db2.gz	PZIHCJZXXPVUTD-UHFFFAOYSA-N	-1	1	414.571	4.298	50	0		HIAAMM
CC(C)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1	ZINC000067298495	571072395	/nfs/dbraw/zinc/07/23/95/571072395.db2.gz	CCOWXMYLZCDQFS-FDHBPBSMSA-N	-1	1	406.482	4.403	50	0		HIAAMM
CSc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1	ZINC000067298848	571072450	/nfs/dbraw/zinc/07/24/50/571072450.db2.gz	DHCAULWDPYWXRI-KAMJJXHCSA-N	-1	1	410.495	4.002	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Cl)cc1F	ZINC000067298697	571072541	/nfs/dbraw/zinc/07/25/41/571072541.db2.gz	WBEDENDVIDGXDW-RPKJYVOXSA-N	-1	1	416.836	4.072	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)cc1Cl	ZINC000067298671	571072638	/nfs/dbraw/zinc/07/26/38/571072638.db2.gz	ZXYAHGDQNLLYKM-MEFNAMQOSA-N	-1	1	416.836	4.072	50	0		HIAAMM
CN1c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2OCC(C)(C)C1=O	ZINC000009165548	571232418	/nfs/dbraw/zinc/23/24/18/571232418.db2.gz	PHMMANCWSMRPMF-UHFFFAOYSA-N	-1	1	410.495	4.022	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2OCC(C)(C)C1=O	ZINC000009166499	571232912	/nfs/dbraw/zinc/23/29/12/571232912.db2.gz	ADCAMBSYJUXVKZ-UHFFFAOYSA-N	-1	1	422.934	4.221	50	0		HIAAMM
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)on1	ZINC000009228274	571239387	/nfs/dbraw/zinc/23/93/87/571239387.db2.gz	WPBVBKAZDHDGQM-UHFFFAOYSA-N	-1	1	414.483	4.345	50	0		HIAAMM
CCOc1cccc2c1Oc1nc(-c3cc(Br)ccc3O)[n-]c(=O)c1C2	ZINC000009290417	571245469	/nfs/dbraw/zinc/24/54/69/571245469.db2.gz	BLQBNZIBNKCNBL-UHFFFAOYSA-N	-1	1	415.243	4.000	50	0		HIAAMM
CCOc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000009296688	571245957	/nfs/dbraw/zinc/24/59/57/571245957.db2.gz	BMDSTLIUBMFXGA-VIZOYTHASA-N	-1	1	423.321	4.316	50	0		HIAAMM
COc1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3o2)cc1OC	ZINC000009421812	571257262	/nfs/dbraw/zinc/25/72/62/571257262.db2.gz	XFGKKIQKEMLBHV-UHFFFAOYSA-N	-1	1	410.451	4.313	50	0		HIAAMM
CCc1ccc(OCCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1	ZINC000009641064	571275720	/nfs/dbraw/zinc/27/57/20/571275720.db2.gz	GOSUCVFFNCHJJR-UHFFFAOYSA-N	-1	1	424.501	4.347	50	0		HIAAMM
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c(O)c1	ZINC000009647849	571276658	/nfs/dbraw/zinc/27/66/58/571276658.db2.gz	IBAAWUFJQHIFMB-UHFFFAOYSA-N	-1	1	414.458	4.201	50	0		HIAAMM
Cc1[n-]n(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)c1-2	ZINC000010166794	571295758	/nfs/dbraw/zinc/29/57/58/571295758.db2.gz	VHGYLPPUFVWACF-UHFFFAOYSA-N	-1	1	410.836	4.375	50	0		HIAAMM
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000010427791	571302455	/nfs/dbraw/zinc/30/24/55/571302455.db2.gz	XNVLJDVAZAOAHF-UHFFFAOYSA-N	-1	1	421.522	4.340	50	0		HIAAMM
CCCCOC(=O)c1ccc(NC(=O)c2c([O-])n(CCC)c3ccccc3c2=O)cc1	ZINC000005736894	845139106	/nfs/dbraw/zinc/13/91/06/845139106.db2.gz	QRUAVRKZFOVDSV-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)on3)ccc2C)c1	ZINC000025367666	524690444	/nfs/dbraw/zinc/69/04/44/524690444.db2.gz	ZTUYDYRXCUTAIA-UHFFFAOYSA-N	-1	1	411.483	4.222	50	0		HIAAMM
COc1ccccc1[C@@H](C)N(C)C(=O)CCn1c(=S)[n-]nc1-c1cccs1	ZINC000032460732	524715951	/nfs/dbraw/zinc/71/59/51/524715951.db2.gz	UPGFBEGONFDXLL-CYBMUJFWSA-N	-1	1	402.545	4.287	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(C(F)(F)F)nc1	ZINC000032930121	527362287	/nfs/dbraw/zinc/36/22/87/527362287.db2.gz	RRZZROXUVYHESY-UHFFFAOYSA-N	-1	1	421.400	4.154	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1	ZINC000000645719	557035580	/nfs/dbraw/zinc/03/55/80/557035580.db2.gz	ASMRAIOIWXSUHS-UHFFFAOYSA-N	-1	1	401.465	4.207	50	0		HIAAMM
O=C1[N-]C(=S)NC1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1	ZINC000001053736	557160992	/nfs/dbraw/zinc/16/09/92/557160992.db2.gz	KKKCNJKFSBERMN-IZZDOVSWSA-N	-1	1	415.721	4.192	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC	ZINC000002839860	557400388	/nfs/dbraw/zinc/40/03/88/557400388.db2.gz	GDXDDUNQGBJBSI-UHFFFAOYSA-N	-1	1	411.479	4.084	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1	ZINC000004809321	557599736	/nfs/dbraw/zinc/59/97/36/557599736.db2.gz	OPACMKPFWXXSAX-UHFFFAOYSA-N	-1	1	414.914	4.379	50	0		HIAAMM
O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000006270523	557697195	/nfs/dbraw/zinc/69/71/95/557697195.db2.gz	VCQLJVAOXMYAGC-UHFFFAOYSA-N	-1	1	424.400	4.029	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2	ZINC000007990958	557769199	/nfs/dbraw/zinc/76/91/99/557769199.db2.gz	QXQBGMNJPOOQLT-HNNXBMFYSA-N	-1	1	419.934	4.320	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346006	557782942	/nfs/dbraw/zinc/78/29/42/557782942.db2.gz	PFVWURVKDRWDCD-AWEZNQCLSA-N	-1	1	419.572	4.425	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008346001	557783002	/nfs/dbraw/zinc/78/30/02/557783002.db2.gz	MCJPOHTUFNAWKW-MRXNPFEDSA-N	-1	1	417.506	4.194	50	0		HIAAMM
COc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[n-]3)nc12	ZINC000009936658	557851945	/nfs/dbraw/zinc/85/19/45/557851945.db2.gz	FPHHOUWAMICZIE-UHFFFAOYSA-N	-1	1	421.888	4.326	50	0		HIAAMM
COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c([O-])c1	ZINC000013127159	558518847	/nfs/dbraw/zinc/51/88/47/558518847.db2.gz	ITSDVDCVLDDEEE-UHFFFAOYSA-N	-1	1	402.248	4.303	50	0		HIAAMM
COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000013135166	558521011	/nfs/dbraw/zinc/52/10/11/558521011.db2.gz	PGRBPPYHCPJTGW-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
CC1(C)C[C@]2(C[C@@H](c3ccccc3F)c3cc(Cl)c([O-])cc3O2)NC(=S)N1	ZINC000013521690	558536559	/nfs/dbraw/zinc/53/65/59/558536559.db2.gz	LDMMFURXYJLEFT-RNODOKPDSA-N	-1	1	406.910	4.442	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3CCC(C)CC3)cc2)cc1	ZINC000025624574	558646213	/nfs/dbraw/zinc/64/62/13/558646213.db2.gz	ZEJOOXHLTUADJH-UHFFFAOYSA-N	-1	1	400.544	4.447	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	ZINC000033274563	558764059	/nfs/dbraw/zinc/76/40/59/558764059.db2.gz	WBEGCTNFORGDJP-CYBMUJFWSA-N	-1	1	424.925	4.226	50	0		HIAAMM
O=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(=O)c2c3c(sc2[n-]c1=S)CCC3	ZINC000017090401	558818982	/nfs/dbraw/zinc/81/89/82/558818982.db2.gz	RUUUCWBIHYGFDR-UHFFFAOYSA-N	-1	1	415.584	4.286	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccc(F)c1	ZINC000017296852	558826600	/nfs/dbraw/zinc/82/66/00/558826600.db2.gz	COFRPBSKGQPCIF-INIZCTEOSA-N	-1	1	417.506	4.052	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)c1N1CCCC1=O	ZINC000004596972	558832870	/nfs/dbraw/zinc/83/28/70/558832870.db2.gz	OPOBLPLAIDWWKZ-UHFFFAOYSA-N	-1	1	412.433	4.250	50	0		HIAAMM
CN(C(=O)C(=C([O-])c1ccc(Cl)cc1Cl)n1ccccc1=O)C1CCCCC1	ZINC000004682116	558894904	/nfs/dbraw/zinc/89/49/04/558894904.db2.gz	ZDZJZANPVODQIY-LJQANCHMSA-N	-1	1	421.324	4.370	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1	ZINC000058162392	558906120	/nfs/dbraw/zinc/90/61/20/558906120.db2.gz	NPAWWOBFEFTRFC-UHFFFAOYSA-N	-1	1	409.511	4.432	50	0		HIAAMM
O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000004703899	558913348	/nfs/dbraw/zinc/91/33/48/558913348.db2.gz	JLYVQOWCQMCDHJ-CSKARUKUSA-N	-1	1	405.435	4.320	50	0		HIAAMM
O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784940	558949820	/nfs/dbraw/zinc/94/98/20/558949820.db2.gz	CCKGBPOMIBEQTP-AWEZNQCLSA-N	-1	1	417.412	4.366	50	0		HIAAMM
Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1Br	ZINC000095067968	559079313	/nfs/dbraw/zinc/07/93/13/559079313.db2.gz	SQMDOUKAWGXLHD-UHFFFAOYSA-N	-1	1	423.101	4.460	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1	ZINC000098072946	559126492	/nfs/dbraw/zinc/12/64/92/559126492.db2.gz	TUECQHPSNSRBSN-UHFFFAOYSA-N	-1	1	410.211	4.277	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000136135521	559276623	/nfs/dbraw/zinc/27/66/23/559276623.db2.gz	VDZXUDRJEAQYRU-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCC(c1ccccc1)c1ccccc1	ZINC000005206306	560539449	/nfs/dbraw/zinc/53/94/49/560539449.db2.gz	KDADJGSOEJZKEZ-UHFFFAOYSA-N	-1	1	413.473	4.298	50	0		HIAAMM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc21	ZINC000005252563	560551613	/nfs/dbraw/zinc/55/16/13/560551613.db2.gz	BGNPOSCGBZUTEF-UHFFFAOYSA-N	-1	1	419.506	4.500	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1N1CCCCC1=O	ZINC000005330230	560565715	/nfs/dbraw/zinc/56/57/15/560565715.db2.gz	BTZYGTMQCNAYCJ-UHFFFAOYSA-N	-1	1	410.495	4.166	50	0		HIAAMM
Cc1nc(COc2cccc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)c2)cs1	ZINC000017737332	560724411	/nfs/dbraw/zinc/72/44/11/560724411.db2.gz	OHCNQPRGBZGMDN-UHFFFAOYSA-N	-1	1	423.446	4.200	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Br	ZINC000002857120	560732269	/nfs/dbraw/zinc/73/22/69/560732269.db2.gz	GCNNBUDIDSDDHT-UHFFFAOYSA-N	-1	1	410.211	4.277	50	0		HIAAMM
C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc3c2N(CCC3)C1=O	ZINC000101079188	560771396	/nfs/dbraw/zinc/77/13/96/560771396.db2.gz	HTGIJDSNBGPKAS-JTQLQIEISA-N	-1	1	411.310	4.191	50	0		HIAAMM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102708427	560820793	/nfs/dbraw/zinc/82/07/93/560820793.db2.gz	GDTWGVYKXIFMTB-BHDDXSALSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[n-]2)C1	ZINC000049421433	568450596	/nfs/dbraw/zinc/45/05/96/568450596.db2.gz	WPOWTQWXKLJQPA-MRXNPFEDSA-N	-1	1	424.570	4.093	50	0		HIAAMM
O=S(=O)([N-]c1ccccc1CCc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1	ZINC000021357280	568688384	/nfs/dbraw/zinc/68/83/84/568688384.db2.gz	GDSQHMNHFPOCTJ-UHFFFAOYSA-N	-1	1	413.449	4.427	50	0		HIAAMM
O=C1C[C@H](c2cccc(O)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096114252	568693785	/nfs/dbraw/zinc/69/37/85/568693785.db2.gz	UPTZIXDCEOQXIT-MRXNPFEDSA-N	-1	1	416.385	4.018	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2	ZINC000096114252	568693788	/nfs/dbraw/zinc/69/37/88/568693788.db2.gz	UPTZIXDCEOQXIT-MRXNPFEDSA-N	-1	1	416.385	4.018	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2nc3ccccc3n2C)cc1	ZINC000000892338	568741518	/nfs/dbraw/zinc/74/15/18/568741518.db2.gz	WMSXWKNAERQXSL-UHFFFAOYSA-N	-1	1	406.511	4.295	50	0		HIAAMM
CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)c1	ZINC000086057201	568753830	/nfs/dbraw/zinc/75/38/30/568753830.db2.gz	HZWXSOHKFKFVMD-GOSISDBHSA-N	-1	1	421.522	4.243	50	0		HIAAMM
O=C([O-])COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1	ZINC000299791411	568875790	/nfs/dbraw/zinc/87/57/90/568875790.db2.gz	FPPHIOLESPHVNU-UHFFFAOYSA-N	-1	1	408.523	4.201	50	0		HIAAMM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1	ZINC000003313656	568878833	/nfs/dbraw/zinc/87/88/33/568878833.db2.gz	UUOMXCVFHHUNIK-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
COc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)c1	ZINC000012744591	568930901	/nfs/dbraw/zinc/93/09/01/568930901.db2.gz	XNIFLLCCWBFNFJ-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1	ZINC000004036341	568935512	/nfs/dbraw/zinc/93/55/12/568935512.db2.gz	WFTXIUUIYQAIJL-UHFFFAOYSA-N	-1	1	409.492	4.362	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)c1C	ZINC000015669364	568961012	/nfs/dbraw/zinc/96/10/12/568961012.db2.gz	HAXCIXZBKRIENY-UHFFFAOYSA-N	-1	1	423.538	4.042	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccs3)c2)cc1	ZINC000007985162	568964334	/nfs/dbraw/zinc/96/43/34/568964334.db2.gz	FTGUVBILBARZOL-CQSZACIVSA-N	-1	1	416.524	4.049	50	0		HIAAMM
CCOc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3C)s2)cc1	ZINC000007988915	568966136	/nfs/dbraw/zinc/96/61/36/568966136.db2.gz	CLISQVMENHGIME-QGZVFWFLSA-N	-1	1	402.903	4.465	50	0		HIAAMM
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc2S1	ZINC000015730561	568981100	/nfs/dbraw/zinc/98/11/00/568981100.db2.gz	GZTCPNBCQTVKEW-CYBMUJFWSA-N	-1	1	402.541	4.189	50	0		HIAAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1	ZINC000085664773	569006705	/nfs/dbraw/zinc/00/67/05/569006705.db2.gz	LCFPWMMBMNDLHD-UHFFFAOYSA-N	-1	1	405.398	4.405	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc2s1	ZINC000015870387	569017263	/nfs/dbraw/zinc/01/72/63/569017263.db2.gz	UGBXUTLSFFPCMT-UHFFFAOYSA-N	-1	1	403.529	4.453	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)CCCC2	ZINC000006315488	569040224	/nfs/dbraw/zinc/04/02/24/569040224.db2.gz	NVWAYHZMMQIYHT-UHFFFAOYSA-N	-1	1	422.554	4.351	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2cnc3n2CCC3)c1)c1cccc(C(F)(F)F)c1	ZINC000090607226	569041956	/nfs/dbraw/zinc/04/19/56/569041956.db2.gz	ISAMFRSDYZWUAV-UHFFFAOYSA-N	-1	1	407.417	4.316	50	0		HIAAMM
COc1cccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)c1	ZINC000064610818	569071330	/nfs/dbraw/zinc/07/13/30/569071330.db2.gz	FCYQKNMSRIAYIU-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1	ZINC000064611779	569074452	/nfs/dbraw/zinc/07/44/52/569074452.db2.gz	CWKQIKRDAZIUCR-OAHLLOKOSA-N	-1	1	424.570	4.091	50	0		HIAAMM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc21	ZINC000006623284	569075059	/nfs/dbraw/zinc/07/50/59/569075059.db2.gz	BFFJMELQWLIIQG-UHFFFAOYSA-N	-1	1	405.479	4.110	50	0		HIAAMM
O=C1C[C@@H](c2cccc(O)c2)c2c(=O)[n-]c(SCc3ccccc3Cl)nc2N1	ZINC000006748292	569108588	/nfs/dbraw/zinc/10/85/88/569108588.db2.gz	PAIDQWDPARGWEK-AWEZNQCLSA-N	-1	1	413.886	4.308	50	0		HIAAMM
CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21	ZINC000064946820	569128583	/nfs/dbraw/zinc/12/85/83/569128583.db2.gz	ITUCXDVXDXFABL-UHFFFAOYSA-N	-1	1	400.884	4.066	50	0		HIAAMM
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21	ZINC000065020970	569154289	/nfs/dbraw/zinc/15/42/89/569154289.db2.gz	DBWPUNBCIQUXJX-UHFFFAOYSA-N	-1	1	406.935	4.421	50	0		HIAAMM
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21	ZINC000065021321	569154379	/nfs/dbraw/zinc/15/43/79/569154379.db2.gz	BDTXCLALWGRJLW-UHFFFAOYSA-N	-1	1	422.909	4.314	50	0		HIAAMM
O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCCCC1	ZINC000006919709	569181709	/nfs/dbraw/zinc/18/17/09/569181709.db2.gz	JZZIHDOZEURUGB-UHFFFAOYSA-N	-1	1	413.326	4.420	50	0		HIAAMM
CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1	ZINC000013696538	569257091	/nfs/dbraw/zinc/25/70/91/569257091.db2.gz	RKCCXJVLIODNKI-UHFFFAOYSA-N	-1	1	416.543	4.211	50	0		HIAAMM
COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1ccc([O-])c(Cl)c1	ZINC000089643392	569261662	/nfs/dbraw/zinc/26/16/62/569261662.db2.gz	HIUJDPXGFBFGNT-SFHVURJKSA-N	-1	1	404.825	4.211	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)c1ccccn1	ZINC000089878944	569267555	/nfs/dbraw/zinc/26/75/55/569267555.db2.gz	ADHYUPIRZGQQDF-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1oncc1-c1ccccc1	ZINC000017191678	569276495	/nfs/dbraw/zinc/27/64/95/569276495.db2.gz	HNDAWLRFYLWQRG-UHFFFAOYSA-N	-1	1	404.451	4.235	50	0		HIAAMM
Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000002875692	569278264	/nfs/dbraw/zinc/27/82/64/569278264.db2.gz	HFIZYSBZLFABMD-UHFFFAOYSA-N	-1	1	408.523	4.343	50	0		HIAAMM
CC(C)(C)n1cnc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21	ZINC000002351330	569381453	/nfs/dbraw/zinc/38/14/53/569381453.db2.gz	PFGLFBGTTIDTIH-UHFFFAOYSA-N	-1	1	408.321	4.355	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1OC	ZINC000013357815	569411523	/nfs/dbraw/zinc/41/15/23/569411523.db2.gz	WQCVOOYPMKWGBL-UHFFFAOYSA-N	-1	1	404.513	4.245	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(Cl)cc1F	ZINC000067298700	571072508	/nfs/dbraw/zinc/07/25/08/571072508.db2.gz	WBEDENDVIDGXDW-MEFNAMQOSA-N	-1	1	416.836	4.072	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Cl)cc1	ZINC000008610167	571094429	/nfs/dbraw/zinc/09/44/29/571094429.db2.gz	VEGMOAPLBUYBTD-UHFFFAOYSA-N	-1	1	414.918	4.198	50	0	aggregator	HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1C	ZINC000009165524	571232446	/nfs/dbraw/zinc/23/24/46/571232446.db2.gz	WXEOBDIEEHCJJM-UHFFFAOYSA-N	-1	1	416.543	4.102	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O	ZINC000009167438	571233229	/nfs/dbraw/zinc/23/32/29/571233229.db2.gz	CYSVHZARGJBUKY-UHFFFAOYSA-N	-1	1	422.934	4.302	50	0		HIAAMM
Cc1cc([O-])c2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1	ZINC000009304703	571246499	/nfs/dbraw/zinc/24/64/99/571246499.db2.gz	MQCXCGPEKSTDHN-UHFFFAOYSA-N	-1	1	424.884	4.152	50	0		HIAAMM
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)n[n-]1	ZINC000390832687	521595934	/nfs/dbraw/zinc/59/59/34/521595934.db2.gz	XDLHAXRYTHUCTR-IUODEOHRSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)[n-]1	ZINC000390832687	521595941	/nfs/dbraw/zinc/59/59/41/521595941.db2.gz	XDLHAXRYTHUCTR-IUODEOHRSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)n1	ZINC000390832687	521595950	/nfs/dbraw/zinc/59/59/50/521595950.db2.gz	XDLHAXRYTHUCTR-IUODEOHRSA-N	-1	1	424.954	4.019	50	0		HIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@@H](C)S2	ZINC000032944018	521910560	/nfs/dbraw/zinc/91/05/60/521910560.db2.gz	RLULBTKEZVONKA-CQSZACIVSA-N	-1	1	416.568	4.287	50	0		HIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1	ZINC000032944019	523995484	/nfs/dbraw/zinc/99/54/84/523995484.db2.gz	NVJSKTASNCGQQP-AWEZNQCLSA-N	-1	1	416.568	4.287	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)c1C	ZINC000032944016	524692968	/nfs/dbraw/zinc/69/29/68/524692968.db2.gz	WQGKDENRVUEQHT-AWEZNQCLSA-N	-1	1	416.568	4.341	50	0		HIAAMM
O=C([N-]c1nnc(SCc2cn3ccccc3n2)s1)c1nc2ccccc2s1	ZINC000043939678	527536629	/nfs/dbraw/zinc/53/66/29/527536629.db2.gz	JTJINPRKCLDMCZ-UHFFFAOYSA-N	-1	1	424.536	4.340	50	0		HIAAMM
COc1ccc(OC)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccncc2)c1	ZINC000000876757	557108205	/nfs/dbraw/zinc/10/82/05/557108205.db2.gz	GDVQYMPWERUHHP-RWEWTDSWSA-N	-1	1	417.421	4.035	50	0		HIAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1	ZINC000001178400	557229045	/nfs/dbraw/zinc/22/90/45/557229045.db2.gz	KSRADQRELBRERG-CXUHLZMHSA-N	-1	1	420.284	4.361	50	0		HIAAMM
CCCc1nnc([N-]C(=O)c2nc(SCc3ccccc3)ncc2Cl)s1	ZINC000004810504	557600340	/nfs/dbraw/zinc/60/03/40/557600340.db2.gz	BJJALXDKKRYCNX-UHFFFAOYSA-N	-1	1	405.936	4.479	50	0		HIAAMM
COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3cccc(Cl)c3C)n2)cc1	ZINC000004977852	557619630	/nfs/dbraw/zinc/61/96/30/557619630.db2.gz	CSUAGSNRGFPGNC-UHFFFAOYSA-N	-1	1	415.902	4.138	50	0		HIAAMM
COc1ccc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[n-]3)nc(C)c2c1	ZINC000009547200	557845472	/nfs/dbraw/zinc/84/54/72/557845472.db2.gz	FXBVIOUSWGJJQR-UHFFFAOYSA-N	-1	1	421.888	4.326	50	0		HIAAMM
COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1	ZINC000020274477	558353368	/nfs/dbraw/zinc/35/33/68/558353368.db2.gz	LZOYUGXIHABLJH-UHFFFAOYSA-N	-1	1	413.524	4.305	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3cccnc3)ccc2C)c1	ZINC000020909503	558421727	/nfs/dbraw/zinc/42/17/27/558421727.db2.gz	IOTHXVSWKRMRPR-UHFFFAOYSA-N	-1	1	409.511	4.071	50	0		HIAAMM
O=C(Nc1cccc2ncccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000012630348	558441609	/nfs/dbraw/zinc/44/16/09/558441609.db2.gz	IUZUSQIOBZUQOL-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)cc2)nc([O-])c([C@@H](C)CC)c1=O	ZINC000013957253	558607828	/nfs/dbraw/zinc/60/78/28/558607828.db2.gz	KLRSUPASYZEQSH-LSDHHAIUSA-N	-1	1	403.548	4.473	50	0		HIAAMM
O=C(Nc1ccccc1OC(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000030011974	558725845	/nfs/dbraw/zinc/72/58/45/558725845.db2.gz	WKQHGNUKNFXYDJ-UHFFFAOYSA-N	-1	1	418.421	4.341	50	0		HIAAMM
CCc1ccc(OCCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2OC)cc1	ZINC000015857340	558757164	/nfs/dbraw/zinc/75/71/64/558757164.db2.gz	HRFSNDGWHXBNME-ZHZULCJRSA-N	-1	1	413.495	4.429	50	0		HIAAMM
O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000015869587	558760106	/nfs/dbraw/zinc/76/01/06/558760106.db2.gz	CTSAKSKRWBEQKX-UHFFFAOYSA-N	-1	1	416.518	4.107	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2	ZINC000017271117	558826472	/nfs/dbraw/zinc/82/64/72/558826472.db2.gz	JSGLVZCXOJFPDB-CQSZACIVSA-N	-1	1	419.572	4.427	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3CC)cc2C)s1	ZINC000033007743	558828562	/nfs/dbraw/zinc/82/85/62/558828562.db2.gz	WZZSRKBTAGUWMQ-UHFFFAOYSA-N	-1	1	403.529	4.316	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)c1C	ZINC000058364447	558921928	/nfs/dbraw/zinc/92/19/28/558921928.db2.gz	KFQWMWCZEGALQJ-UHFFFAOYSA-N	-1	1	401.532	4.349	50	0		HIAAMM
CCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CC)C1	ZINC000097164654	558998456	/nfs/dbraw/zinc/99/84/56/558998456.db2.gz	QHJWSRNDAHMEOZ-OAHLLOKOSA-N	-1	1	403.552	4.469	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)Nc1ccc(F)c(Cl)c1	ZINC000023138430	559019752	/nfs/dbraw/zinc/01/97/52/559019752.db2.gz	QMTKFOWBROKKOH-UHFFFAOYSA-N	-1	1	421.856	4.175	50	0		HIAAMM
COc1cccc(CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c1	ZINC000033287249	559043841	/nfs/dbraw/zinc/04/38/41/559043841.db2.gz	VWRLJEWCVNJMDP-UHFFFAOYSA-N	-1	1	411.502	4.181	50	0		HIAAMM
Cc1cccc(C)c1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880182	559196117	/nfs/dbraw/zinc/19/61/17/559196117.db2.gz	KIRGJZJYPYDLDD-IBGZPJMESA-N	-1	1	400.525	4.023	50	0	aggregator	HIAAMM
O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21	ZINC000005099569	559244816	/nfs/dbraw/zinc/24/48/16/559244816.db2.gz	OXVDSZABTPZWQV-UHFFFAOYSA-N	-1	1	406.507	4.330	50	0		HIAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)n1	ZINC000012007661	559271019	/nfs/dbraw/zinc/27/10/19/559271019.db2.gz	VLLBEAVUCKXEFN-UHFFFAOYSA-N	-1	1	409.490	4.248	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C([O-])=C2ON1c1ccccc1	ZINC000137590873	559280491	/nfs/dbraw/zinc/28/04/91/559280491.db2.gz	VKESDKZNHVDEML-BHDDXSALSA-N	-1	1	402.425	4.185	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	ZINC000046621664	560559821	/nfs/dbraw/zinc/55/98/21/560559821.db2.gz	SRRBXXNWEXWMTQ-UHFFFAOYSA-N	-1	1	421.482	4.274	50	0		HIAAMM
Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1[N+](=O)[O-]	ZINC000004749049	560608519	/nfs/dbraw/zinc/60/85/19/560608519.db2.gz	VNTNGCLJDRCIGK-OVCLIPMQSA-N	-1	1	400.437	4.452	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2)cc1	ZINC000005557605	560614179	/nfs/dbraw/zinc/61/41/79/560614179.db2.gz	UGSWKFKZQFNSCJ-UHFFFAOYSA-N	-1	1	415.446	4.279	50	0		HIAAMM
Cc1nnc(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])[nH]1	ZINC000005611608	560630333	/nfs/dbraw/zinc/63/03/33/560630333.db2.gz	MYSQHSXWHNNYDN-RIYZIHGNSA-N	-1	1	406.261	4.353	50	0		HIAAMM
Cc1nc(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])n[nH]1	ZINC000005611608	560630335	/nfs/dbraw/zinc/63/03/35/560630335.db2.gz	MYSQHSXWHNNYDN-RIYZIHGNSA-N	-1	1	406.261	4.353	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)c1C	ZINC000017304301	560707090	/nfs/dbraw/zinc/70/70/90/560707090.db2.gz	QQYAQAFVCZDTRH-UHFFFAOYSA-N	-1	1	420.494	4.233	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)c1ccco1	ZINC000009096287	560757415	/nfs/dbraw/zinc/75/74/15/560757415.db2.gz	YNZZRLLQIKAEGO-UHFFFAOYSA-N	-1	1	421.272	4.095	50	0		HIAAMM
COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)c(C)c4)c3)cn2n1	ZINC000011693565	560773786	/nfs/dbraw/zinc/77/37/86/560773786.db2.gz	ABZFCDGYFRHKRK-UHFFFAOYSA-N	-1	1	422.510	4.131	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1	ZINC000018102243	560775853	/nfs/dbraw/zinc/77/58/53/560775853.db2.gz	BTBCIESDFHRXTQ-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCOc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000101104332	560786120	/nfs/dbraw/zinc/78/61/20/560786120.db2.gz	HEPOAYPHPZOHIU-ZLNRFVROSA-N	-1	1	414.461	4.136	50	0	aggregator	HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)N5CCC(C)CC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827561	560802473	/nfs/dbraw/zinc/80/24/73/560802473.db2.gz	TTZNTTSSHDBDHF-UHFFFAOYSA-N	-1	1	414.509	4.253	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)N5CCC[C@@H](C)C5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827583	560802481	/nfs/dbraw/zinc/80/24/81/560802481.db2.gz	IYFKICIFYJLCIC-MRXNPFEDSA-N	-1	1	414.509	4.253	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1	ZINC000102735038	560822741	/nfs/dbraw/zinc/82/27/41/560822741.db2.gz	DYMRJCXFMYYENS-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102861304	560831878	/nfs/dbraw/zinc/83/18/78/560831878.db2.gz	VDZXUDRJEAQYRU-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1)c1ccccc1	ZINC000012126376	560889623	/nfs/dbraw/zinc/88/96/23/560889623.db2.gz	DHYIKEGNDCMBIT-KRWDZBQOSA-N	-1	1	405.502	4.089	50	0		HIAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000033500404	568515003	/nfs/dbraw/zinc/51/50/03/568515003.db2.gz	ORYDCHGWSJSING-ZROIWOOFSA-N	-1	1	411.913	4.437	50	0		HIAAMM
O=C1C[C@H](c2cccs2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096114600	568694399	/nfs/dbraw/zinc/69/43/99/568694399.db2.gz	JNJCMEPOHZQGHQ-CYBMUJFWSA-N	-1	1	406.415	4.374	50	0		HIAAMM
O=C1C[C@H](c2cccs2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1	ZINC000096114600	568694401	/nfs/dbraw/zinc/69/44/01/568694401.db2.gz	JNJCMEPOHZQGHQ-CYBMUJFWSA-N	-1	1	406.415	4.374	50	0		HIAAMM
CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)c1	ZINC000086057307	568754066	/nfs/dbraw/zinc/75/40/66/568754066.db2.gz	QUMUXWDWQMNWRP-SFHVURJKSA-N	-1	1	421.522	4.243	50	0		HIAAMM
O=S(=O)([N-]c1ccc(I)cc1)c1ccc2ccccc2c1	ZINC000001088704	568769083	/nfs/dbraw/zinc/76/90/83/568769083.db2.gz	LDCISOXMVRSGSO-UHFFFAOYSA-N	-1	1	409.248	4.245	50	0		HIAAMM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000012560524	568858312	/nfs/dbraw/zinc/85/83/12/568858312.db2.gz	VEAIYJFQGPZABS-UHFFFAOYSA-N	-1	1	418.824	4.286	50	0		HIAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)n1	ZINC000012592910	568868421	/nfs/dbraw/zinc/86/84/21/568868421.db2.gz	RVCHMRIXEOXYFO-OAQYLSRUSA-N	-1	1	421.522	4.397	50	0		HIAAMM
CN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000012605019	568870775	/nfs/dbraw/zinc/87/07/75/568870775.db2.gz	CGVXBAJYDPIYRC-UHFFFAOYSA-N	-1	1	416.449	4.038	50	0		HIAAMM
CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1COc1ccccc1	ZINC000004044725	568936220	/nfs/dbraw/zinc/93/62/20/568936220.db2.gz	PCDFWVLYINXSLB-UHFFFAOYSA-N	-1	1	404.260	4.402	50	0		HIAAMM
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1	ZINC000012752553	568941688	/nfs/dbraw/zinc/94/16/88/568941688.db2.gz	XPHKGZQDTAVYOH-UHFFFAOYSA-N	-1	1	408.523	4.343	50	0		HIAAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nncn2C)c(C)c1	ZINC000012849312	569010353	/nfs/dbraw/zinc/01/03/53/569010353.db2.gz	ZFIKSEVXCJXXMT-UHFFFAOYSA-N	-1	1	422.963	4.346	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc2s1	ZINC000015870381	569017292	/nfs/dbraw/zinc/01/72/92/569017292.db2.gz	DMMWOYFQSQECQS-UHFFFAOYSA-N	-1	1	407.492	4.283	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc3oc4ccccc4c3c2OC)n1	ZINC000035655333	569046931	/nfs/dbraw/zinc/04/69/31/569046931.db2.gz	BYLNZKDFKMQQTL-UHFFFAOYSA-N	-1	1	423.494	4.361	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1ccco1	ZINC000524729273	569051515	/nfs/dbraw/zinc/05/15/15/569051515.db2.gz	LTNITONDPHZIHX-ZDUSSCGKSA-N	-1	1	404.374	4.208	50	0		HIAAMM
CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1nnc([S-])n12	ZINC000005553220	569072000	/nfs/dbraw/zinc/07/20/00/569072000.db2.gz	GTESRDZAEQLVQP-XMMPIXPASA-N	-1	1	416.550	4.313	50	0		HIAAMM
CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21	ZINC000064861899	569110548	/nfs/dbraw/zinc/11/05/48/569110548.db2.gz	UIUDDYDDDULZJY-UHFFFAOYSA-N	-1	1	409.511	4.123	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccs3)cc2)c1	ZINC000006919671	569181651	/nfs/dbraw/zinc/18/16/51/569181651.db2.gz	QUDXBBBSPGBCJE-UHFFFAOYSA-N	-1	1	400.525	4.096	50	0		HIAAMM
Cc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c(C)n1C	ZINC000065194594	569192858	/nfs/dbraw/zinc/19/28/58/569192858.db2.gz	QFCRCPDHEUSKAM-UHFFFAOYSA-N	-1	1	418.494	4.208	50	0		HIAAMM
Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)o1	ZINC000036714296	569224546	/nfs/dbraw/zinc/22/45/46/569224546.db2.gz	BNHFKEPXXPCCLV-UHFFFAOYSA-N	-1	1	414.347	4.101	50	0		HIAAMM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccccc2)CC(=O)O1	ZINC000013382657	569255306	/nfs/dbraw/zinc/25/53/06/569255306.db2.gz	LSJDQLIDQSCRBN-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccccc1)CC(=O)O2	ZINC000013382657	569255307	/nfs/dbraw/zinc/25/53/07/569255307.db2.gz	LSJDQLIDQSCRBN-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1	ZINC000089643226	569261723	/nfs/dbraw/zinc/26/17/23/569261723.db2.gz	ZMRHXMYENHSAMB-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CCOc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1	ZINC000067298037	571072119	/nfs/dbraw/zinc/07/21/19/571072119.db2.gz	ATKIAAGVEWFSFL-ATJXCDBQSA-N	-1	1	407.451	4.478	50	0		HIAAMM
Cc1cc(Cl)ccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@H]1CCCO1	ZINC000067298789	571072606	/nfs/dbraw/zinc/07/26/06/571072606.db2.gz	BVVLPRXIXMOFMK-JUZPYSENSA-N	-1	1	412.873	4.241	50	0		HIAAMM
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(C)C	ZINC000008840880	571124154	/nfs/dbraw/zinc/12/41/54/571124154.db2.gz	FCACFSWOBCTQPL-UHFFFAOYSA-N	-1	1	406.935	4.384	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2OCC(C)(C)C1=O	ZINC000009167709	571233183	/nfs/dbraw/zinc/23/31/83/571233183.db2.gz	MMWZXXVSUOSHPX-UHFFFAOYSA-N	-1	1	420.506	4.097	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c1C	ZINC000009168699	571233424	/nfs/dbraw/zinc/23/34/24/571233424.db2.gz	HATONPIUULUTPE-UHFFFAOYSA-N	-1	1	402.516	4.078	50	0		HIAAMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)nc12	ZINC000009420691	571256924	/nfs/dbraw/zinc/25/69/24/571256924.db2.gz	HIGPXTBZKTZXPF-UHFFFAOYSA-N	-1	1	401.470	4.063	50	0		HIAAMM
Cc1c(Cl)cccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000009597745	571272542	/nfs/dbraw/zinc/27/25/42/571272542.db2.gz	ZAZGGGVRJCTXLW-GOSISDBHSA-N	-1	1	420.943	4.368	50	0		HIAAMM
Cc1ccc(OCCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)cc1C	ZINC000009640964	571275813	/nfs/dbraw/zinc/27/58/13/571275813.db2.gz	WERCEPNAECNQHE-UHFFFAOYSA-N	-1	1	424.501	4.402	50	0		HIAAMM
CCn1c2ccccc2nc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000010651845	571310150	/nfs/dbraw/zinc/31/01/50/571310150.db2.gz	QNZFVHFWPRBGFR-UHFFFAOYSA-N	-1	1	422.514	4.015	50	0		HIAAMM
CCCc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)cc2)n1	ZINC000011854715	845838060	/nfs/dbraw/zinc/83/80/60/845838060.db2.gz	IVZLGAMIOSIPDH-UHFFFAOYSA-N	-1	1	419.510	4.197	50	0		HIAAMM
O=C(Nc1ccc(Br)cc1)c1nc[n-]c1C(=O)Nc1ccc(Cl)cc1	ZINC000016286404	846147276	/nfs/dbraw/zinc/14/72/76/846147276.db2.gz	ZSZAUNPHGRQFPC-UHFFFAOYSA-N	-1	1	419.666	4.330	50	0		HIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2	ZINC000006779511	132315701	/nfs/dbraw/zinc/31/57/01/132315701.db2.gz	HNUAUWSFPYTLSN-CQSZACIVSA-N	-1	1	404.557	4.205	50	0		HIAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1	ZINC000007420323	521340671	/nfs/dbraw/zinc/34/06/71/521340671.db2.gz	DYVCXJSVFXXIRR-UHFFFAOYSA-N	-1	1	413.481	4.136	50	0		HIAAMM
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccc(C)cc1	ZINC000032197442	522787623	/nfs/dbraw/zinc/78/76/23/522787623.db2.gz	DGLSSRRPUXNKJD-OAQYLSRUSA-N	-1	1	409.511	4.072	50	0		HIAAMM
C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2S1	ZINC000032943997	524762152	/nfs/dbraw/zinc/76/21/52/524762152.db2.gz	NMOBTZIVKQSESE-GFCCVEGCSA-N	-1	1	422.959	4.378	50	0		HIAAMM
CSc1ccc(-c2noc(CSc3nc(-c4ccncc4)cc(=O)[n-]3)n2)cc1	ZINC000044169499	525949613	/nfs/dbraw/zinc/94/96/13/525949613.db2.gz	HAFVLEFVFNHGOB-UHFFFAOYSA-N	-1	1	409.496	4.308	50	0		HIAAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(OCc3cscn3)cc2)CC1	ZINC000032898944	526703598	/nfs/dbraw/zinc/70/35/98/526703598.db2.gz	AQLCXLGIAJFKAM-UHFFFAOYSA-N	-1	1	422.506	4.163	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4o3)c2)cc1	ZINC000000839407	557097128	/nfs/dbraw/zinc/09/71/28/557097128.db2.gz	UVGDROGERLILBH-UHFFFAOYSA-N	-1	1	407.451	4.254	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2C)cc1C	ZINC000001059200	557163086	/nfs/dbraw/zinc/16/30/86/557163086.db2.gz	QVCBAUOCFHLWGX-UHFFFAOYSA-N	-1	1	400.544	4.429	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)c1ccc(C)cc1	ZINC000001149403	557210115	/nfs/dbraw/zinc/21/01/15/557210115.db2.gz	YHUJSNAWLPCYPC-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccc(C)cc1)c1nnc([S-])n12	ZINC000001296958	557253918	/nfs/dbraw/zinc/25/39/18/557253918.db2.gz	HDMJKVLMYDVUEV-HSZRJFAPSA-N	-1	1	402.523	4.368	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1	ZINC000004742513	557591536	/nfs/dbraw/zinc/59/15/36/557591536.db2.gz	HHZNUIFDYAOCNA-UHFFFAOYSA-N	-1	1	402.422	4.326	50	0		HIAAMM
COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000006269553	557697200	/nfs/dbraw/zinc/69/72/00/557697200.db2.gz	PUPDJFZOKSYMAT-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1	ZINC000021663235	558445177	/nfs/dbraw/zinc/44/51/77/558445177.db2.gz	XWYOGKDCFBDSAC-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1	ZINC000015979288	558765075	/nfs/dbraw/zinc/76/50/75/558765075.db2.gz	ADRDQMFPCXWBHU-UHFFFAOYSA-N	-1	1	418.478	4.131	50	0		HIAAMM
COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)cc1OC	ZINC000018203248	558776766	/nfs/dbraw/zinc/77/67/66/558776766.db2.gz	JSMAGQDMKZJODR-UHFFFAOYSA-N	-1	1	422.466	4.209	50	0		HIAAMM
C[C@@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[n-]c3=S)CCC5)csc2C1	ZINC000017091194	558819684	/nfs/dbraw/zinc/81/96/84/558819684.db2.gz	MFCOPWNRLZXWFO-SECBINFHSA-N	-1	1	417.581	4.179	50	0		HIAAMM
CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2C)s1	ZINC000033007774	558828741	/nfs/dbraw/zinc/82/87/41/558828741.db2.gz	JLDZRNZVCQIMHQ-UHFFFAOYSA-N	-1	1	413.883	4.156	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3cccc(F)c3)csc21	ZINC000049421033	558849070	/nfs/dbraw/zinc/84/90/70/558849070.db2.gz	MYICXMHAQTZUKV-UHFFFAOYSA-N	-1	1	424.476	4.256	50	0		HIAAMM
CCCCCCOc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1	ZINC000004690278	558899765	/nfs/dbraw/zinc/89/97/65/558899765.db2.gz	GVMHEFCRJQCFLJ-UHFFFAOYSA-N	-1	1	406.529	4.350	50	0		HIAAMM
Cc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)cc1F	ZINC000023138319	559019717	/nfs/dbraw/zinc/01/97/17/559019717.db2.gz	OETRRFSVDJDBSU-UHFFFAOYSA-N	-1	1	417.893	4.344	50	0		HIAAMM
CC(C)(C)c1ccc(OCc2ncc(C(=O)N3CC[C@@H]3c3ccccc3)c(=O)[n-]2)cc1	ZINC000091391040	559071345	/nfs/dbraw/zinc/07/13/45/559071345.db2.gz	KVJLJNNPIXXMJG-OAQYLSRUSA-N	-1	1	417.509	4.234	50	0		HIAAMM
CCc1c(C)[n-]n(-c2nc(-c3ccc(I)cc3)cs2)c1=O	ZINC000100598269	559136880	/nfs/dbraw/zinc/13/68/80/559136880.db2.gz	DWNNLYZDPQMWGK-GFCCVEGCSA-N	-1	1	411.268	4.163	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2	ZINC000101238029	559144147	/nfs/dbraw/zinc/14/41/47/559144147.db2.gz	JGBVULDOSYDIIH-OAHLLOKOSA-N	-1	1	419.934	4.320	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100799111	559268267	/nfs/dbraw/zinc/26/82/67/559268267.db2.gz	KKYZGWYOTCYEST-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1oncc1C(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c([O-])c1	ZINC000095361089	568601700	/nfs/dbraw/zinc/60/17/00/568601700.db2.gz	KJUVCOOGGHMDPX-UHFFFAOYSA-N	-1	1	421.331	4.092	50	0		HIAAMM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(F)c1	ZINC000096118106	568697491	/nfs/dbraw/zinc/69/74/91/568697491.db2.gz	UZKJVLBIWQEWFS-SJCJKPOMSA-N	-1	1	405.495	4.340	50	0		HIAAMM
COc1cc(CN2CCC[C@H]3CCCC[C@H]32)cc(I)c1O	ZINC000229912485	568715958	/nfs/dbraw/zinc/71/59/58/568715958.db2.gz	JZAASMHKFMEDIL-UKRRQHHQSA-N	-1	1	401.288	4.160	50	0		HIAAMM
CC(C)c1ccc2c(c1)occ([C@@H]1N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O	ZINC000230518554	568717231	/nfs/dbraw/zinc/71/72/31/568717231.db2.gz	MJNMRWVUYDGWQA-UGKGYDQZSA-N	-1	1	402.450	4.086	50	0		HIAAMM
CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c1	ZINC000086057074	568753806	/nfs/dbraw/zinc/75/38/06/568753806.db2.gz	KCEPSWZSTSPESV-SFHVURJKSA-N	-1	1	421.522	4.243	50	0		HIAAMM
O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012526088	568843095	/nfs/dbraw/zinc/84/30/95/568843095.db2.gz	FLKJGJNIRWUJCI-UHFFFAOYSA-N	-1	1	409.492	4.349	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1C	ZINC000003278711	568850716	/nfs/dbraw/zinc/85/07/16/568850716.db2.gz	CFOUMLKLYYIAJW-UHFFFAOYSA-N	-1	1	418.902	4.281	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1	ZINC000012548657	568851939	/nfs/dbraw/zinc/85/19/39/568851939.db2.gz	XSHNXLAEJVGJHJ-UHFFFAOYSA-N	-1	1	400.525	4.130	50	0		HIAAMM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1	ZINC000003361147	568857287	/nfs/dbraw/zinc/85/72/87/568857287.db2.gz	YMKNVBCIZLFSTD-UHFFFAOYSA-N	-1	1	401.871	4.430	50	0		HIAAMM
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012604570	568870613	/nfs/dbraw/zinc/87/06/13/568870613.db2.gz	XEMSSTGPCMTHCD-UHFFFAOYSA-N	-1	1	410.539	4.186	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H]1Cc1ccccc1	ZINC000012731417	568922736	/nfs/dbraw/zinc/92/27/36/568922736.db2.gz	BDGMLMCUOVCNKC-JOCHJYFZSA-N	-1	1	420.534	4.335	50	0		HIAAMM
COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)on2)cc1	ZINC000001398117	568925866	/nfs/dbraw/zinc/92/58/66/568925866.db2.gz	COUJNLNSCBIWLI-UHFFFAOYSA-N	-1	1	413.282	4.136	50	0		HIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccnc3)CC(=O)O4)c2=O)cc1	ZINC000085878605	569009713	/nfs/dbraw/zinc/00/97/13/569009713.db2.gz	XAPNQHXBPMKFHR-MRXNPFEDSA-N	-1	1	415.401	4.010	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccnc2)cc1	ZINC000085878605	569009714	/nfs/dbraw/zinc/00/97/14/569009714.db2.gz	XAPNQHXBPMKFHR-MRXNPFEDSA-N	-1	1	415.401	4.010	50	0		HIAAMM
O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000006147043	569014667	/nfs/dbraw/zinc/01/46/67/569014667.db2.gz	RQLHUABUVQMQHZ-UHFFFAOYSA-N	-1	1	406.385	4.157	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)CC)nc3c2)cc1	ZINC000015869994	569017166	/nfs/dbraw/zinc/01/71/66/569017166.db2.gz	UPSXARZWNPEWTC-UHFFFAOYSA-N	-1	1	403.529	4.398	50	0		HIAAMM
CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1	ZINC000015870000	569017196	/nfs/dbraw/zinc/01/71/96/569017196.db2.gz	JUFLHHVKFBGBHP-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1C	ZINC000015870325	569017290	/nfs/dbraw/zinc/01/72/90/569017290.db2.gz	HWNNHUHPRPRRLA-UHFFFAOYSA-N	-1	1	403.529	4.308	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccc(F)c1	ZINC000015882228	569019011	/nfs/dbraw/zinc/01/90/11/569019011.db2.gz	QODLTZOUVYUQCY-UHFFFAOYSA-N	-1	1	412.490	4.074	50	0		HIAAMM
O=C(NC1CCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21	ZINC000035480120	569038721	/nfs/dbraw/zinc/03/87/21/569038721.db2.gz	RAOZZXWVDZZSCE-UHFFFAOYSA-N	-1	1	419.934	4.156	50	0		HIAAMM
COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000040106670	569048068	/nfs/dbraw/zinc/04/80/68/569048068.db2.gz	DBUIHUYCOATPQV-RVDMUPIBSA-N	-1	1	422.506	4.456	50	0		HIAAMM
COc1ccccc1/C=C/C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000040106667	569048088	/nfs/dbraw/zinc/04/80/88/569048088.db2.gz	BCNSVADUCAICME-FYWRMAATSA-N	-1	1	422.506	4.456	50	0		HIAAMM
O=C(NCc1cccc(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000006507470	569061779	/nfs/dbraw/zinc/06/17/79/569061779.db2.gz	FEAHQPYUVGRQDG-UHFFFAOYSA-N	-1	1	400.887	4.071	50	0		HIAAMM
C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)C1	ZINC000036354825	569148172	/nfs/dbraw/zinc/14/81/72/569148172.db2.gz	UKBAPZSOPYWEPF-MFEFFIJZSA-N	-1	1	420.509	4.491	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCC3)cc2)cc1	ZINC000006920323	569181778	/nfs/dbraw/zinc/18/17/78/569181778.db2.gz	LEQJQDRBFZSWKM-UHFFFAOYSA-N	-1	1	416.543	4.339	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCc2ccccc21	ZINC000006937684	569185235	/nfs/dbraw/zinc/18/52/35/569185235.db2.gz	QGIAUWSYLCFCDM-UHFFFAOYSA-N	-1	1	410.470	4.138	50	0		HIAAMM
COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC)cc1	ZINC000007423353	569237840	/nfs/dbraw/zinc/23/78/40/569237840.db2.gz	CEFGGMYHQPIWGH-UHFFFAOYSA-N	-1	1	411.479	4.374	50	0		HIAAMM
CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1	ZINC000170602293	569243834	/nfs/dbraw/zinc/24/38/34/569243834.db2.gz	UBFUSBLMJRUZOB-UHFFFAOYSA-N	-1	1	414.449	4.153	50	0		HIAAMM
Cc1cccc(OCCN(C)C(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c1	ZINC000014197427	569258789	/nfs/dbraw/zinc/25/87/89/569258789.db2.gz	PPSZUAXDXIDOQM-UHFFFAOYSA-N	-1	1	410.543	4.152	50	0		HIAAMM
CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000014233426	569259077	/nfs/dbraw/zinc/25/90/77/569259077.db2.gz	OAITYBHYJZXQAG-UHFFFAOYSA-N	-1	1	412.559	4.091	50	0		HIAAMM
O=C(Nc1ccc(C(=O)N2CCc3sccc3C2)c([O-])c1)c1cc(F)cc(F)c1	ZINC000055165553	569391653	/nfs/dbraw/zinc/39/16/53/569391653.db2.gz	RHPPFOUXZRYLDE-UHFFFAOYSA-N	-1	1	414.433	4.183	50	0		HIAAMM
Cc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@H]1CCCO1	ZINC000067298798	571072443	/nfs/dbraw/zinc/07/24/43/571072443.db2.gz	VJTXWZZYHLFMNQ-JUZPYSENSA-N	-1	1	412.873	4.241	50	0		HIAAMM
COc1ccc(CNCc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])c(OC)c1	ZINC000008611000	571094525	/nfs/dbraw/zinc/09/45/25/571094525.db2.gz	MNDNHZPYBQFMMX-UHFFFAOYSA-N	-1	1	422.525	4.467	50	0		HIAAMM
O=C1CCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2N1Cc1ccccc1	ZINC000008840655	571123813	/nfs/dbraw/zinc/12/38/13/571123813.db2.gz	KDQZRLUGWYWWEG-UHFFFAOYSA-N	-1	1	410.470	4.106	50	0		HIAAMM
O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccn1	ZINC000009126867	571226644	/nfs/dbraw/zinc/22/66/44/571226644.db2.gz	NXNITKMBKCTZOP-UHFFFAOYSA-N	-1	1	421.400	4.154	50	0		HIAAMM
CCN1c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc2OCC(C)(C)C1=O	ZINC000009170532	571233680	/nfs/dbraw/zinc/23/36/80/571233680.db2.gz	PXEKBMUMMPBSFQ-UHFFFAOYSA-N	-1	1	424.522	4.412	50	0		HIAAMM
CCN1c2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc2OCC(C)(C)C1=O	ZINC000009170816	571233823	/nfs/dbraw/zinc/23/38/23/571233823.db2.gz	PTXTWGCKIBBDIB-UHFFFAOYSA-N	-1	1	422.934	4.221	50	0		HIAAMM
Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)nc2n1	ZINC000009572165	571269016	/nfs/dbraw/zinc/26/90/16/571269016.db2.gz	VDGSRUYETRCHED-UHFFFAOYSA-N	-1	1	406.511	4.431	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1	ZINC000001143257	132238898	/nfs/dbraw/zinc/23/88/98/132238898.db2.gz	ZBJBNKRTNWUQLP-UHFFFAOYSA-N	-1	1	406.507	4.389	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)ccc1F	ZINC000005136539	132302797	/nfs/dbraw/zinc/30/27/97/132302797.db2.gz	PWBJHTFPTZKCHH-UHFFFAOYSA-N	-1	1	414.458	4.121	50	0		HIAAMM
O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1cccc(C(F)(F)F)c1	ZINC000032776760	527253159	/nfs/dbraw/zinc/25/31/59/527253159.db2.gz	QVGZTCXWTPLHIL-MRXNPFEDSA-N	-1	1	401.406	4.064	50	0		HIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1	ZINC000001056810	557161892	/nfs/dbraw/zinc/16/18/92/557161892.db2.gz	WXNVNRKLMYHCBF-UHFFFAOYSA-N	-1	1	410.495	4.239	50	0		HIAAMM
COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000002880102	557419107	/nfs/dbraw/zinc/41/91/07/557419107.db2.gz	VBKDCSQYAJMLMG-UHFFFAOYSA-N	-1	1	424.522	4.043	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)n1	ZINC000004643486	557574808	/nfs/dbraw/zinc/57/48/08/557574808.db2.gz	LQTWAGPYDOGNGG-UHFFFAOYSA-N	-1	1	423.494	4.361	50	0		HIAAMM
CCOc1cc(CNn2cn[n-]c2=S)cc(Cl)c1OCc1ccccc1F	ZINC000005564946	557662265	/nfs/dbraw/zinc/66/22/65/557662265.db2.gz	TTWGIMNHGYQWQX-UHFFFAOYSA-N	-1	1	408.886	4.455	50	0		HIAAMM
Cc1cccnc1[N-][C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O	ZINC000019939519	558313697	/nfs/dbraw/zinc/31/36/97/558313697.db2.gz	MZFYNRNEWWOKRV-FQEVSTJZSA-N	-1	1	402.420	4.292	50	0		HIAAMM
O=S(=O)(Cc1ccccc1)[N-][C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F	ZINC000021038278	558429748	/nfs/dbraw/zinc/42/97/48/558429748.db2.gz	LVZOFAUDBSCMSU-HXUWFJFHSA-N	-1	1	423.469	4.085	50	0		HIAAMM
Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCc3ccccc3)CC2)cc1	ZINC000033115362	558761580	/nfs/dbraw/zinc/76/15/80/558761580.db2.gz	YLQLKMZEEQLWPW-UHFFFAOYSA-N	-1	1	420.534	4.144	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2C)s1	ZINC000033007727	558828530	/nfs/dbraw/zinc/82/85/30/558828530.db2.gz	JBRGSXRPXJDSRG-UHFFFAOYSA-N	-1	1	403.529	4.316	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc2sc(NC(C)=O)nc21	ZINC000033007942	558828824	/nfs/dbraw/zinc/82/88/24/558828824.db2.gz	DPJBQKUPROMBJV-UHFFFAOYSA-N	-1	1	419.528	4.188	50	0		HIAAMM
COc1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)ccc1[N-]S(C)(=O)=O	ZINC000033069773	558866039	/nfs/dbraw/zinc/86/60/39/558866039.db2.gz	FFNZURLGLMKPHT-UHFFFAOYSA-N	-1	1	408.863	4.027	50	0		HIAAMM
O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784946	558949890	/nfs/dbraw/zinc/94/98/90/558949890.db2.gz	VOBNDDBYQXUVIZ-ZDUSSCGKSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCC1CCCCC1	ZINC000023138322	559019767	/nfs/dbraw/zinc/01/97/67/559019767.db2.gz	VQVCPQXQRNTVTO-UHFFFAOYSA-N	-1	1	405.951	4.367	50	0		HIAAMM
O=c1[n-]nc(Sc2ccc(C(F)(F)F)cn2)n1-c1ccccc1C(F)(F)F	ZINC000095626669	559087572	/nfs/dbraw/zinc/08/75/72/559087572.db2.gz	YXJNEYQNXLIWKC-UHFFFAOYSA-N	-1	1	406.311	4.144	50	0		HIAAMM
COC(=O)[N-]C(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)ccc1Cl	ZINC000005145104	559252469	/nfs/dbraw/zinc/25/24/69/559252469.db2.gz	XFIFGSULNWEHCV-UHFFFAOYSA-N	-1	1	401.271	4.420	50	0		HIAAMM
CCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[n-]1	ZINC000011854868	559262223	/nfs/dbraw/zinc/26/22/23/559262223.db2.gz	LTDXDLSGESPMFP-UHFFFAOYSA-N	-1	1	413.547	4.456	50	0		HIAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)n1	ZINC000011855571	559262296	/nfs/dbraw/zinc/26/22/96/559262296.db2.gz	JZXKOMPJKLPMNB-UHFFFAOYSA-N	-1	1	423.473	4.199	50	0		HIAAMM
COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c([O-])c1	ZINC000011866373	559264081	/nfs/dbraw/zinc/26/40/81/559264081.db2.gz	KSWVFBDYJMRWCB-UHFFFAOYSA-N	-1	1	421.375	4.143	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1	ZINC000017777673	560727253	/nfs/dbraw/zinc/72/72/53/560727253.db2.gz	RMNAEOOPLMGPFF-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000100934743	560763330	/nfs/dbraw/zinc/76/33/30/560763330.db2.gz	WSIPDBWUZFVXNM-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
O=C(c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCCCCC1	ZINC000101282311	560790540	/nfs/dbraw/zinc/79/05/40/560790540.db2.gz	HROCXBUKCAABJR-UHFFFAOYSA-N	-1	1	420.900	4.488	50	0		HIAAMM
O=C(NC1CCCCC1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1	ZINC000101828700	560802751	/nfs/dbraw/zinc/80/27/51/560802751.db2.gz	VMBILHAUXPZSBA-UHFFFAOYSA-N	-1	1	404.445	4.020	50	0		HIAAMM
CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1	ZINC000103684115	560843846	/nfs/dbraw/zinc/84/38/46/560843846.db2.gz	DGOHFJNZQHXKBT-QFZWGZQFSA-N	-1	1	420.509	4.037	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)ccc1Br	ZINC000016122090	560859755	/nfs/dbraw/zinc/85/97/55/560859755.db2.gz	DKOPHVAQTQXBFA-UHFFFAOYSA-N	-1	1	411.321	4.153	50	0		HIAAMM
Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1	ZINC000012123357	560889450	/nfs/dbraw/zinc/88/94/50/560889450.db2.gz	ATBJBEWVKUCEFP-UHFFFAOYSA-N	-1	1	411.465	4.061	50	0		HIAAMM
CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2OC)n1	ZINC000046020164	568423852	/nfs/dbraw/zinc/42/38/52/568423852.db2.gz	ADOHCQFCWMCMMI-UHFFFAOYSA-N	-1	1	407.879	4.152	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1-c1nc(CC)no1	ZINC000046020155	568423857	/nfs/dbraw/zinc/42/38/57/568423857.db2.gz	SUCPYCZGONNOSE-UHFFFAOYSA-N	-1	1	401.488	4.115	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cl)cc1F)c1c(F)cc(F)cc1Br	ZINC000006888708	568463166	/nfs/dbraw/zinc/46/31/66/568463166.db2.gz	VLBUXJQDJKOJNK-UHFFFAOYSA-N	-1	1	400.603	4.321	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(=O)CC)sc3c2)cc1	ZINC000033007508	568510260	/nfs/dbraw/zinc/51/02/60/568510260.db2.gz	ZXQMTNSZHRZAEF-UHFFFAOYSA-N	-1	1	403.529	4.398	50	0		HIAAMM
O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000020464049	568610154	/nfs/dbraw/zinc/61/01/54/568610154.db2.gz	MISAXJFIDPQZBP-CYBMUJFWSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C1C[C@H](c2ccc(O)cc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096115304	568694830	/nfs/dbraw/zinc/69/48/30/568694830.db2.gz	LFAOVOWVPYUQJP-MRXNPFEDSA-N	-1	1	416.385	4.018	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096115304	568694833	/nfs/dbraw/zinc/69/48/33/568694833.db2.gz	LFAOVOWVPYUQJP-MRXNPFEDSA-N	-1	1	416.385	4.018	50	0		HIAAMM
COC(=O)c1cc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)ccc1Cl	ZINC000033332420	568696876	/nfs/dbraw/zinc/69/68/76/568696876.db2.gz	IZYGYUJDQINTKP-NVNXTCNLSA-N	-1	1	419.846	4.031	50	0		HIAAMM
COC(=O)c1cc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)ccc1Cl	ZINC000033332420	568696879	/nfs/dbraw/zinc/69/68/79/568696879.db2.gz	IZYGYUJDQINTKP-NVNXTCNLSA-N	-1	1	419.846	4.031	50	0		HIAAMM
CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21	ZINC000096399786	568749053	/nfs/dbraw/zinc/74/90/53/568749053.db2.gz	GXOIYLHCVRGXRK-UHFFFAOYSA-N	-1	1	413.326	4.483	50	0		HIAAMM
COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1OC	ZINC000001024542	568763658	/nfs/dbraw/zinc/76/36/58/568763658.db2.gz	CCAHOPPYWMIUDZ-UHFFFAOYSA-N	-1	1	424.733	4.185	50	0		HIAAMM
COc1cccc(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c1	ZINC000005960574	568832464	/nfs/dbraw/zinc/83/24/64/568832464.db2.gz	QIHHLCAUTKMDTJ-UHFFFAOYSA-N	-1	1	402.402	4.436	50	0	biogenic	HIAAMM
COc1cccc(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c1	ZINC000005960574	568832465	/nfs/dbraw/zinc/83/24/65/568832465.db2.gz	QIHHLCAUTKMDTJ-UHFFFAOYSA-N	-1	1	402.402	4.436	50	0	biogenic	HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)CC)c2)cc1	ZINC000012584906	568865874	/nfs/dbraw/zinc/86/58/74/568865874.db2.gz	BYCGCROXRKQYEB-ZDUSSCGKSA-N	-1	1	410.923	4.068	50	0		HIAAMM
CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(Br)c([O-])c(OC)c1	ZINC000003287925	568872612	/nfs/dbraw/zinc/87/26/12/568872612.db2.gz	BVIUWBFXWDPXDD-UHFFFAOYSA-N	-1	1	423.259	4.122	50	0		HIAAMM
O=C(OC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000003287342	568872736	/nfs/dbraw/zinc/87/27/36/568872736.db2.gz	LPHXBEBXCRGUGK-UHFFFAOYSA-N	-1	1	424.316	4.349	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1	ZINC000003345792	568884648	/nfs/dbraw/zinc/88/46/48/568884648.db2.gz	QKZKGBBYWGANIZ-UHFFFAOYSA-N	-1	1	413.326	4.420	50	0		HIAAMM
Cc1cc(=O)cc(C)n1-c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000001463394	568989003	/nfs/dbraw/zinc/98/90/03/568989003.db2.gz	NYRHMXLUWXVTBZ-UHFFFAOYSA-N	-1	1	422.428	4.274	50	0		HIAAMM
O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc([O-])cc1O	ZINC000008424838	569002015	/nfs/dbraw/zinc/00/20/15/569002015.db2.gz	GINKTZQPDVXLRD-UHFFFAOYSA-N	-1	1	410.476	4.038	50	0		HIAAMM
C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1	ZINC000012820972	569004880	/nfs/dbraw/zinc/00/48/80/569004880.db2.gz	XWZYTFKFHSLZHG-GJZGRUSLSA-N	-1	1	406.935	4.259	50	0		HIAAMM
CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1	ZINC000015870030	569017143	/nfs/dbraw/zinc/01/71/43/569017143.db2.gz	BPPOIGKJRYHBGD-UHFFFAOYSA-N	-1	1	413.883	4.238	50	0		HIAAMM
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000015895861	569019995	/nfs/dbraw/zinc/01/99/95/569019995.db2.gz	WPIDDPBOKCDXEN-BLLLJJGKSA-N	-1	1	423.332	4.153	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1NC(C)=O	ZINC000016097207	569028835	/nfs/dbraw/zinc/02/88/35/569028835.db2.gz	ZDPHFBWIYYKYGP-UHFFFAOYSA-N	-1	1	408.479	4.026	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1	ZINC000006235004	569034213	/nfs/dbraw/zinc/03/42/13/569034213.db2.gz	AYYRPBFHNMMXBH-UHFFFAOYSA-N	-1	1	412.486	4.173	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(SC)c2)cc1	ZINC000013000616	569049420	/nfs/dbraw/zinc/04/94/20/569049420.db2.gz	JNRKZOJJGRMQSX-UHFFFAOYSA-N	-1	1	400.529	4.367	50	0		HIAAMM
CCOC(=O)C1=C(NC(=O)Nc2ccccc2OC)[N-]c2ccccc2N=C1CC	ZINC000006498488	569061403	/nfs/dbraw/zinc/06/14/03/569061403.db2.gz	UJBHQAKTHZTQCX-UHFFFAOYSA-N	-1	1	408.458	4.200	50	0		HIAAMM
CCc1nnc([N-]C(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)s1	ZINC000006748170	569108544	/nfs/dbraw/zinc/10/85/44/569108544.db2.gz	SYEKOYSBEGRGMF-UHFFFAOYSA-N	-1	1	405.936	4.397	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1	ZINC000064862161	569110528	/nfs/dbraw/zinc/11/05/28/569110528.db2.gz	VHVUWSIFEYLADW-UHFFFAOYSA-N	-1	1	413.543	4.201	50	0		HIAAMM
CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1	ZINC000006752727	569111370	/nfs/dbraw/zinc/11/13/70/569111370.db2.gz	DGOHFJNZQHXKBT-KJWPAHLWSA-N	-1	1	420.509	4.037	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1	ZINC000065021035	569154282	/nfs/dbraw/zinc/15/42/82/569154282.db2.gz	LJXWTQFFLAZSKV-UHFFFAOYSA-N	-1	1	400.544	4.384	50	0		HIAAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1	ZINC000065021249	569154429	/nfs/dbraw/zinc/15/44/29/569154429.db2.gz	FUTHMBAERXZBBF-UHFFFAOYSA-N	-1	1	418.946	4.483	50	0		HIAAMM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000065116285	569179825	/nfs/dbraw/zinc/17/98/25/569179825.db2.gz	XRYGLOKAZQJEPY-UHFFFAOYSA-N	-1	1	417.462	4.111	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c1	ZINC000006935048	569184645	/nfs/dbraw/zinc/18/46/45/569184645.db2.gz	PGRYPJQZIGHPNL-CQSZACIVSA-N	-1	1	416.568	4.287	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)c1	ZINC000006935053	569184726	/nfs/dbraw/zinc/18/47/26/569184726.db2.gz	PGRYPJQZIGHPNL-AWEZNQCLSA-N	-1	1	416.568	4.287	50	0		HIAAMM
Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)c2)n1	ZINC000065498539	569232477	/nfs/dbraw/zinc/23/24/77/569232477.db2.gz	NIVYLXZNEZMKQM-UHFFFAOYSA-N	-1	1	413.480	4.102	50	0		HIAAMM
Cc1c(-c2ccccc2)sc2nc(-c3cnc(OCC(F)(F)F)cn3)[n-]c(=O)c12	ZINC000170610884	569245430	/nfs/dbraw/zinc/24/54/30/569245430.db2.gz	YYZHJANXGKAWFN-UHFFFAOYSA-N	-1	1	418.400	4.358	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)ccc1F	ZINC000013696336	569257198	/nfs/dbraw/zinc/25/71/98/569257198.db2.gz	CHHHRLOQSFIUEM-UHFFFAOYSA-N	-1	1	402.491	4.014	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1c(Cl)cccc1Cl	ZINC000007343053	569280611	/nfs/dbraw/zinc/28/06/11/569280611.db2.gz	IKELPEDLDNPFHH-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
CCOc1ccc(CN(CC)Cc2cc(=O)n3[n-]c(-c4ccc(C)cc4)cc3n2)cc1	ZINC000013347386	569410766	/nfs/dbraw/zinc/41/07/66/569410766.db2.gz	OCXJNGDNJMMIFY-UHFFFAOYSA-N	-1	1	416.525	4.419	50	0		HIAAMM
FC(F)(F)c1cccc([C@H](c2nnn[n-]2)c2ncc(C(F)(F)F)cc2Cl)c1	ZINC000263639836	571043596	/nfs/dbraw/zinc/04/35/96/571043596.db2.gz	LCDGRWOEFBELQK-NSHDSACASA-N	-1	1	407.705	4.466	50	0		HIAAMM
FC(F)(F)c1cccc([C@H](c2nn[n-]n2)c2ncc(C(F)(F)F)cc2Cl)c1	ZINC000263639836	571043597	/nfs/dbraw/zinc/04/35/97/571043597.db2.gz	LCDGRWOEFBELQK-NSHDSACASA-N	-1	1	407.705	4.466	50	0		HIAAMM
Cc1cc(Cl)ccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1	ZINC000067298785	571072611	/nfs/dbraw/zinc/07/26/11/571072611.db2.gz	BVVLPRXIXMOFMK-QEQSUZCXSA-N	-1	1	412.873	4.241	50	0		HIAAMM
Cc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)ccc1Cl	ZINC000067298859	571072888	/nfs/dbraw/zinc/07/28/88/571072888.db2.gz	HFYRZCLPBWXAJB-QEQSUZCXSA-N	-1	1	412.873	4.241	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cc(Cl)ccc1F	ZINC000067298879	571073041	/nfs/dbraw/zinc/07/30/41/571073041.db2.gz	RJOAXBLQSFINRF-RPKJYVOXSA-N	-1	1	416.836	4.072	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccccc4n3)ccc2C)cc1	ZINC000008606672	571092441	/nfs/dbraw/zinc/09/24/41/571092441.db2.gz	IMGYNVWRVWLXDD-UHFFFAOYSA-N	-1	1	420.494	4.069	50	0		HIAAMM
Cc1ccc(NC(=O)Cc2c(C)nc(SCc3ccc(F)cc3)[n-]c2=O)cc1C	ZINC000038898129	571095392	/nfs/dbraw/zinc/09/53/92/571095392.db2.gz	CDZCEHVXPFKHIO-UHFFFAOYSA-N	-1	1	411.502	4.308	50	0		HIAAMM
CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc21	ZINC000008840732	571123816	/nfs/dbraw/zinc/12/38/16/571123816.db2.gz	ZRNYPBZSWAQSFU-UHFFFAOYSA-N	-1	1	410.898	4.359	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1NC(=O)OC(C)(C)C	ZINC000040122755	571178505	/nfs/dbraw/zinc/17/85/05/571178505.db2.gz	LIPYYOUUBMNEEA-UHFFFAOYSA-N	-1	1	406.504	4.460	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1C	ZINC000008977470	571198155	/nfs/dbraw/zinc/19/81/55/571198155.db2.gz	FTSKTSDRRIWTEY-UHFFFAOYSA-N	-1	1	420.534	4.303	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)C3CC3)c2)cc1	ZINC000009217074	571237559	/nfs/dbraw/zinc/23/75/59/571237559.db2.gz	BNDBIVOFMRMKGD-CYBMUJFWSA-N	-1	1	422.934	4.068	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1F	ZINC000009403952	571255064	/nfs/dbraw/zinc/25/50/64/571255064.db2.gz	NVBACYVOTJMRIX-UHFFFAOYSA-N	-1	1	415.471	4.307	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000001195931	845002031	/nfs/dbraw/zinc/00/20/31/845002031.db2.gz	WMCZUTPHPMZKNK-UHFFFAOYSA-N	-1	1	421.927	4.282	50	0		HIAAMM
O=[N+]([O-])c1ccccc1N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000254571534	854212723	/nfs/dbraw/zinc/21/27/23/854212723.db2.gz	BICLEZKWWXYRBZ-UHFFFAOYSA-N	-1	1	415.041	4.271	50	0		HIAAMM
Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(C(C)(C)C)cc1	ZINC000009614664	132341842	/nfs/dbraw/zinc/34/18/42/132341842.db2.gz	UXGAATKPQFNKPU-UHFFFAOYSA-N	-1	1	416.569	4.293	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000041154795	525608178	/nfs/dbraw/zinc/60/81/78/525608178.db2.gz	MMYQEKMNNRSPKW-UHFFFAOYSA-N	-1	1	421.927	4.282	50	0		HIAAMM
O=C([O-])c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2F)cc1	ZINC000040287274	526376806	/nfs/dbraw/zinc/37/68/06/526376806.db2.gz	CDXBGQPHJJJVPP-SFHVURJKSA-N	-1	1	414.824	4.080	50	0		HIAAMM
CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CN(C)c1ccccc1	ZINC000000629257	557024885	/nfs/dbraw/zinc/02/48/85/557024885.db2.gz	YWHAUYNJBMBXHQ-UHFFFAOYSA-N	-1	1	417.303	4.460	50	0		HIAAMM
O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000000675276	557052065	/nfs/dbraw/zinc/05/20/65/557052065.db2.gz	WGURDSXERJHVPX-UHFFFAOYSA-N	-1	1	416.886	4.158	50	0		HIAAMM
CCC(=O)N1N=C(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C[C@H]1c1ccco1	ZINC000000714277	557067333	/nfs/dbraw/zinc/06/73/33/557067333.db2.gz	YWRYZSRGYIUHDT-FQEVSTJZSA-N	-1	1	423.494	4.168	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)cc1	ZINC000000800808	557084974	/nfs/dbraw/zinc/08/49/74/557084974.db2.gz	DYBJQZQWBQEMAQ-UHFFFAOYSA-N	-1	1	420.494	4.069	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)c(C)cc1C	ZINC000009572180	557124006	/nfs/dbraw/zinc/12/40/06/557124006.db2.gz	HMTODQUXMMVIJE-UHFFFAOYSA-N	-1	1	422.510	4.131	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1	ZINC000001145818	557207624	/nfs/dbraw/zinc/20/76/24/557207624.db2.gz	VCHHEYWZSZSRDI-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000002719519	557750959	/nfs/dbraw/zinc/75/09/59/557750959.db2.gz	KHFHCZFJMUKNCW-HNNXBMFYSA-N	-1	1	419.934	4.318	50	0		HIAAMM
CCc1nc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cs1	ZINC000022847052	557841372	/nfs/dbraw/zinc/84/13/72/557841372.db2.gz	GOYSFMDRAKXREU-UHFFFAOYSA-N	-1	1	420.487	4.002	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c(OC)c1	ZINC000012706163	558450025	/nfs/dbraw/zinc/45/00/25/558450025.db2.gz	ZIOUCYFPOYWYIM-ATJXCDBQSA-N	-1	1	423.450	4.097	50	0		HIAAMM
Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1	ZINC000021866072	558452768	/nfs/dbraw/zinc/45/27/68/558452768.db2.gz	QYZVBHGKSCIXGY-UHFFFAOYSA-N	-1	1	407.495	4.058	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2)cc1	ZINC000025177574	558633927	/nfs/dbraw/zinc/63/39/27/558633927.db2.gz	PHRHDFKBAJGXOC-OAQYLSRUSA-N	-1	1	422.506	4.049	50	0		HIAAMM
O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000015789925	558753449	/nfs/dbraw/zinc/75/34/49/558753449.db2.gz	BOFNENTYVSCTAN-UHFFFAOYSA-N	-1	1	418.877	4.210	50	0		HIAAMM
CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)CC2)CC1	ZINC000033274666	558764403	/nfs/dbraw/zinc/76/44/03/558764403.db2.gz	SBKAPSGSHYBDGX-UHFFFAOYSA-N	-1	1	412.555	4.214	50	0		HIAAMM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c(C)c1C	ZINC000017082032	558814014	/nfs/dbraw/zinc/81/40/14/558814014.db2.gz	IUCCTLARBDRDBV-UHFFFAOYSA-N	-1	1	400.544	4.266	50	0		HIAAMM
CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)c2c(=O)[n-]c(SCC(C)C)nc2N1	ZINC000017243092	558826247	/nfs/dbraw/zinc/82/62/47/558826247.db2.gz	SJYMPLLSFJKPIH-HNNXBMFYSA-N	-1	1	419.572	4.363	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(C)c2)cc1	ZINC000033007745	558828550	/nfs/dbraw/zinc/82/85/50/558828550.db2.gz	MANFNDWIUWJUOH-UHFFFAOYSA-N	-1	1	403.529	4.316	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C)s1	ZINC000033007716	558828564	/nfs/dbraw/zinc/82/85/64/558828564.db2.gz	PGRXDUQJALGMGI-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C)s1	ZINC000033007777	558828714	/nfs/dbraw/zinc/82/87/14/558828714.db2.gz	IAOSBJBIYPCVDA-UHFFFAOYSA-N	-1	1	415.540	4.243	50	0		HIAAMM
CC[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000033019239	558836156	/nfs/dbraw/zinc/83/61/56/558836156.db2.gz	VSYZJGKQSXVRGK-MRXNPFEDSA-N	-1	1	408.470	4.170	50	0		HIAAMM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1ncn(Cc2ccccc2)n1	ZINC000071965302	558956667	/nfs/dbraw/zinc/95/66/67/558956667.db2.gz	GGDQLVVWEBAYHX-UHFFFAOYSA-N	-1	1	411.824	4.335	50	0		HIAAMM
O=S(=O)([N-]CCc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)on2)o1	ZINC000033263880	558961525	/nfs/dbraw/zinc/96/15/25/558961525.db2.gz	ZECQEBAUAFNXRZ-UHFFFAOYSA-N	-1	1	420.796	4.128	50	0		HIAAMM
COc1cccc(CSc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cc(=O)[n-]2)c1	ZINC000023138117	559018480	/nfs/dbraw/zinc/01/84/80/559018480.db2.gz	AITWZPZJMJILEL-UHFFFAOYSA-N	-1	1	423.538	4.375	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1Cl	ZINC000033269664	559032398	/nfs/dbraw/zinc/03/23/98/559032398.db2.gz	KDIKYBDPVUBNLF-UHFFFAOYSA-N	-1	1	419.890	4.385	50	0		HIAAMM
CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CCC1	ZINC000033277537	559040858	/nfs/dbraw/zinc/04/08/58/559040858.db2.gz	JWYNDUNLSSNTCS-UHFFFAOYSA-N	-1	1	420.962	4.335	50	0		HIAAMM
CN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000014246674	559161745	/nfs/dbraw/zinc/16/17/45/559161745.db2.gz	BULITFDNZCIJLB-UHFFFAOYSA-N	-1	1	420.943	4.475	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)c1ccncc1	ZINC000033669606	559227746	/nfs/dbraw/zinc/22/77/46/559227746.db2.gz	QAHSPLXWUXYHDW-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
COc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc(Cl)c1OC(C)C	ZINC000005489381	560597890	/nfs/dbraw/zinc/59/78/90/560597890.db2.gz	IWGMWWUCPHNZGR-UHFFFAOYSA-N	-1	1	418.829	4.305	50	0		HIAAMM
COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1[O-]	ZINC000001114113	560728155	/nfs/dbraw/zinc/72/81/55/560728155.db2.gz	ZZRIOYAYMUMAGY-UHFFFAOYSA-N	-1	1	422.934	4.487	50	0		HIAAMM
COc1ccc(N2OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1	ZINC000100889229	560761955	/nfs/dbraw/zinc/76/19/55/560761955.db2.gz	GKSKCRIAZYSLAD-ZLNRFVROSA-N	-1	1	414.461	4.055	50	0		HIAAMM
C[C@@H]1CCCN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1	ZINC000101827702	560802470	/nfs/dbraw/zinc/80/24/70/560802470.db2.gz	IZXBFIZXFDTZBA-CQSZACIVSA-N	-1	1	420.900	4.344	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCC[C@@H](C)C5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827868	560802662	/nfs/dbraw/zinc/80/26/62/560802662.db2.gz	JSVGWIWVQCSZIM-OAHLLOKOSA-N	-1	1	414.509	4.308	50	0		HIAAMM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102861347	560831874	/nfs/dbraw/zinc/83/18/74/560831874.db2.gz	MEVRTFYDNMFGDA-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)cc1C	ZINC000046914531	560879293	/nfs/dbraw/zinc/87/92/93/560879293.db2.gz	VSYZCTVAWFDESJ-UHFFFAOYSA-N	-1	1	412.446	4.288	50	0		HIAAMM
CCCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421271	568450606	/nfs/dbraw/zinc/45/06/06/568450606.db2.gz	SHZLFBYSFSOFIX-KRWDZBQOSA-N	-1	1	424.570	4.093	50	0		HIAAMM
CCOc1ccc(-c2nc(N)ncc2Oc2ccccc2Br)c([O-])c1	ZINC000095346162	568599961	/nfs/dbraw/zinc/59/99/61/568599961.db2.gz	FWZCPAVCZDSLJB-UHFFFAOYSA-N	-1	1	402.248	4.385	50	0		HIAAMM
COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cccc(OC(F)F)c1	ZINC000096118098	568697465	/nfs/dbraw/zinc/69/74/65/568697465.db2.gz	ORAHEUTZEBIREA-MRXNPFEDSA-N	-1	1	402.397	4.003	50	0		HIAAMM
Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)s2)n[nH]1	ZINC000096341461	568736980	/nfs/dbraw/zinc/73/69/80/568736980.db2.gz	BJAMEMNMHFSBPQ-UHFFFAOYSA-N	-1	1	417.434	4.454	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1	ZINC000021711467	568748318	/nfs/dbraw/zinc/74/83/18/568748318.db2.gz	YNMRLPCNHIENLO-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)O[C@H](C)C2	ZINC000029129535	568820886	/nfs/dbraw/zinc/82/08/86/568820886.db2.gz	AZNNUJJUTPCLHT-CQSZACIVSA-N	-1	1	424.526	4.277	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1C(F)(F)F	ZINC000012520644	568841088	/nfs/dbraw/zinc/84/10/88/568841088.db2.gz	VGZOGSQRQJFCFA-UHFFFAOYSA-N	-1	1	401.797	4.345	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1C	ZINC000012584990	568865887	/nfs/dbraw/zinc/86/58/87/568865887.db2.gz	JBMBYXQFZZZSED-HZPDHXFCSA-N	-1	1	400.544	4.222	50	0		HIAAMM
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000015439680	568885960	/nfs/dbraw/zinc/88/59/60/568885960.db2.gz	KZAYWAXXUHJKNT-UHFFFAOYSA-N	-1	1	414.914	4.413	50	0		HIAAMM
Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)ccc2o1	ZINC000012747955	568933963	/nfs/dbraw/zinc/93/39/63/568933963.db2.gz	BMXDYIZKVIDNSK-UHFFFAOYSA-N	-1	1	421.478	4.498	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1F	ZINC000012775472	568954279	/nfs/dbraw/zinc/95/42/79/568954279.db2.gz	TUVVEFNHPMKZHH-UHFFFAOYSA-N	-1	1	404.507	4.340	50	0		HIAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000011905535	568987214	/nfs/dbraw/zinc/98/72/14/568987214.db2.gz	FHKPDOGSRQJNOD-UHFFFAOYSA-N	-1	1	417.840	4.052	50	0		HIAAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1C	ZINC000015882150	569019031	/nfs/dbraw/zinc/01/90/31/569019031.db2.gz	IJHGJLJSPCANMQ-UHFFFAOYSA-N	-1	1	422.554	4.470	50	0		HIAAMM
O=C(Nc1cccnc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl	ZINC000006189107	569029770	/nfs/dbraw/zinc/02/97/70/569029770.db2.gz	ZKGXMSPEWZCNCF-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)CCCC2	ZINC000006328715	569043352	/nfs/dbraw/zinc/04/33/52/569043352.db2.gz	QTFKPQKBBPBVEX-UHFFFAOYSA-N	-1	1	422.554	4.351	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000035527911	569043938	/nfs/dbraw/zinc/04/39/38/569043938.db2.gz	SJVFRKTWVSSCDP-UHFFFAOYSA-N	-1	1	419.890	4.371	50	0		HIAAMM
Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1	ZINC000006507412	569061806	/nfs/dbraw/zinc/06/18/06/569061806.db2.gz	JDMOJHUXAFXZIS-UHFFFAOYSA-N	-1	1	416.449	4.004	50	0		HIAAMM
Cc1nc2[n-]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccccc3)nn2c(=O)c1C	ZINC000064813911	569100414	/nfs/dbraw/zinc/10/04/14/569100414.db2.gz	YYFZAOMNDXCIOI-UHFFFAOYSA-N	-1	1	415.497	4.005	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1OC	ZINC000064837447	569104468	/nfs/dbraw/zinc/10/44/68/569104468.db2.gz	BHBYFJIKFFQYQN-UHFFFAOYSA-N	-1	1	402.472	4.085	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000065115829	569179691	/nfs/dbraw/zinc/17/96/91/569179691.db2.gz	NJNNGWBUZDOGIZ-UHFFFAOYSA-N	-1	1	413.499	4.334	50	0		HIAAMM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N1C(=O)C1CCC1	ZINC000006934676	569184785	/nfs/dbraw/zinc/18/47/85/569184785.db2.gz	GFEURHAMTRDGIM-ZDUSSCGKSA-N	-1	1	404.919	4.219	50	0		HIAAMM
CC[C@@H](CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1)c1ccccc1	ZINC000014249177	569259186	/nfs/dbraw/zinc/25/91/86/569259186.db2.gz	CDZQESWNOJAQNI-INIZCTEOSA-N	-1	1	410.543	4.316	50	0		HIAAMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cs1	ZINC000007709356	569301657	/nfs/dbraw/zinc/30/16/57/569301657.db2.gz	NZZRZJQQNNHBIK-UHFFFAOYSA-N	-1	1	413.524	4.046	50	0		HIAAMM
CCn1cc(-c2n[n-]c(=S)n2-c2ccc(F)c(Cl)c2)c(=O)c2ccc(C)nc21	ZINC000001432700	571044462	/nfs/dbraw/zinc/04/44/62/571044462.db2.gz	VCDKANXBLGVZJD-UHFFFAOYSA-N	-1	1	415.881	4.054	50	0		HIAAMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1	ZINC000008608372	571093489	/nfs/dbraw/zinc/09/34/89/571093489.db2.gz	WQNVGIVTDKUIEQ-UHFFFAOYSA-N	-1	1	412.467	4.197	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1	ZINC000008610161	571093946	/nfs/dbraw/zinc/09/39/46/571093946.db2.gz	SKPDHRKJRKNKCM-UHFFFAOYSA-N	-1	1	408.527	4.107	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2)cc1	ZINC000008706598	571103905	/nfs/dbraw/zinc/10/39/05/571103905.db2.gz	HWTGFASEQMGJSB-UHFFFAOYSA-N	-1	1	422.506	4.237	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cccs3)cc2)cc1	ZINC000008718368	571105814	/nfs/dbraw/zinc/10/58/14/571105814.db2.gz	GWXRPQBBBUSSFH-CQSZACIVSA-N	-1	1	416.524	4.049	50	0		HIAAMM
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccccc1F	ZINC000009047493	571215612	/nfs/dbraw/zinc/21/56/12/571215612.db2.gz	FWJMDGMOKJOZDJ-UHFFFAOYSA-N	-1	1	405.381	4.322	50	0		HIAAMM
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccccc1F	ZINC000009047493	571215614	/nfs/dbraw/zinc/21/56/14/571215614.db2.gz	FWJMDGMOKJOZDJ-UHFFFAOYSA-N	-1	1	405.381	4.322	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1C	ZINC000005136513	132302583	/nfs/dbraw/zinc/30/25/83/132302583.db2.gz	RQCSLHGGDSZNJC-UHFFFAOYSA-N	-1	1	410.495	4.290	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1Cl	ZINC000008840879	132333684	/nfs/dbraw/zinc/33/36/84/132333684.db2.gz	MIPRRVFZWBMYNV-UHFFFAOYSA-N	-1	1	406.935	4.384	50	0		HIAAMM
CCc1ccc(-c2noc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)n2)cc1	ZINC000048985673	523864526	/nfs/dbraw/zinc/86/45/26/523864526.db2.gz	KPASFBSGEBKSEU-UHFFFAOYSA-N	-1	1	420.494	4.350	50	0		HIAAMM
COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4OC)no3)n2)c1	ZINC000044169514	525707604	/nfs/dbraw/zinc/70/76/04/525707604.db2.gz	FTHGNQPUAHZYCV-UHFFFAOYSA-N	-1	1	422.466	4.209	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCCCCCC1	ZINC000032720229	526701448	/nfs/dbraw/zinc/70/14/48/526701448.db2.gz	OMPCNVWOEWDKCN-UHFFFAOYSA-N	-1	1	408.470	4.172	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(=O)CCc1ccccc1	ZINC000001134353	557200266	/nfs/dbraw/zinc/20/02/66/557200266.db2.gz	KKCNIKAEZCVDMB-UHFFFAOYSA-N	-1	1	410.495	4.067	50	0		HIAAMM
COc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])cc1OC	ZINC000001180126	557229907	/nfs/dbraw/zinc/22/99/07/557229907.db2.gz	SJSYCSLSLJEPFN-UHFFFAOYSA-N	-1	1	422.934	4.487	50	0		HIAAMM
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1	ZINC000001236599	557250217	/nfs/dbraw/zinc/25/02/17/557250217.db2.gz	NCHDLMRQPUTMRD-UHFFFAOYSA-N	-1	1	410.495	4.122	50	0		HIAAMM
CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=C1SC(=O)[N-]C1=O	ZINC000001444300	557265387	/nfs/dbraw/zinc/26/53/87/557265387.db2.gz	XPDOZIMLSNOJSI-RIXQQTFQSA-N	-1	1	404.491	4.216	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2C)c1C	ZINC000002887519	557422582	/nfs/dbraw/zinc/42/25/82/557422582.db2.gz	MCDJSFPTHPDOPD-UHFFFAOYSA-N	-1	1	400.544	4.285	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000004183080	557525796	/nfs/dbraw/zinc/52/57/96/557525796.db2.gz	CYSKHBCHNLYEME-BHIFYINESA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000002750634	557757681	/nfs/dbraw/zinc/75/76/81/557757681.db2.gz	QBWRPWMIQDOLKG-UHFFFAOYSA-N	-1	1	412.305	4.207	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1ccc(F)cc1	ZINC000008132293	557773198	/nfs/dbraw/zinc/77/31/98/557773198.db2.gz	BPEWRNGUWIOHKC-INIZCTEOSA-N	-1	1	417.506	4.052	50	0		HIAAMM
COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)cc1	ZINC000013137105	558521278	/nfs/dbraw/zinc/52/12/78/558521278.db2.gz	VDKKJKAZRZJZHL-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
O=C1[N-]C(=S)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)N1	ZINC000013785657	558593150	/nfs/dbraw/zinc/59/31/50/558593150.db2.gz	LVQIAVZBMXGXOD-ZSOIEALJSA-N	-1	1	407.264	4.148	50	0		HIAAMM
CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)cc1	ZINC000026936037	558667239	/nfs/dbraw/zinc/66/72/39/558667239.db2.gz	GCUGBXFAJSJICF-UHFFFAOYSA-N	-1	1	400.479	4.483	50	0		HIAAMM
CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000033274825	558764590	/nfs/dbraw/zinc/76/45/90/558764590.db2.gz	HFJBXDSSGYIBJU-UHFFFAOYSA-N	-1	1	406.935	4.089	50	0		HIAAMM
COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1[N-]S(C)(=O)=O	ZINC000072309648	558775317	/nfs/dbraw/zinc/77/53/17/558775317.db2.gz	NAYZHFBQHLDSLQ-QGZVFWFLSA-N	-1	1	423.922	4.089	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1	ZINC000016282756	558783572	/nfs/dbraw/zinc/78/35/72/558783572.db2.gz	LLXWCMBBMURFBN-UHFFFAOYSA-N	-1	1	419.309	4.122	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2	ZINC000017271168	558826382	/nfs/dbraw/zinc/82/63/82/558826382.db2.gz	RCZFLZIDWFQNHL-INIZCTEOSA-N	-1	1	417.506	4.196	50	0		HIAAMM
CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-])c1ccccc1	ZINC000058304510	558917804	/nfs/dbraw/zinc/91/78/04/558917804.db2.gz	XQPHWRDIVOOVEP-QFIPXVFZSA-N	-1	1	416.521	4.244	50	0		HIAAMM
O=C1C[C@@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784873	558949869	/nfs/dbraw/zinc/94/98/69/558949869.db2.gz	FHQAOVPHIFJYHW-AWEZNQCLSA-N	-1	1	417.412	4.366	50	0		HIAAMM
CCCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1	ZINC000097164653	558998458	/nfs/dbraw/zinc/99/84/58/558998458.db2.gz	QHJWSRNDAHMEOZ-HNNXBMFYSA-N	-1	1	403.552	4.469	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCc1ccc(F)cc1	ZINC000023138217	559019672	/nfs/dbraw/zinc/01/96/72/559019672.db2.gz	ZTPHQXSEDHBKTD-UHFFFAOYSA-N	-1	1	417.893	4.126	50	0		HIAAMM
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2s1	ZINC000033298909	559048171	/nfs/dbraw/zinc/04/81/71/559048171.db2.gz	YNNGKZBJOHBKGW-UHFFFAOYSA-N	-1	1	424.569	4.014	50	0		HIAAMM
CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OCC)c(F)c3)ccc21	ZINC000008840790	560639822	/nfs/dbraw/zinc/63/98/22/560639822.db2.gz	QYDAXVXQYLQGNH-UHFFFAOYSA-N	-1	1	420.506	4.105	50	0		HIAAMM
CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2C1	ZINC000008976931	560640270	/nfs/dbraw/zinc/64/02/70/560640270.db2.gz	GYCVOXFNAGUBOZ-UHFFFAOYSA-N	-1	1	406.507	4.059	50	0		HIAAMM
O=C(c1ccc(Br)o1)c1c([O-])n(-c2ccccc2)nc1-c1ccccc1	ZINC000101087721	560775524	/nfs/dbraw/zinc/77/55/24/560775524.db2.gz	VYORCGFMSHUBNV-QGZVFWFLSA-N	-1	1	409.239	4.292	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NCCC(C)C)ccc4[n-]cc-3c2=O)cc1C	ZINC000101828027	560802649	/nfs/dbraw/zinc/80/26/49/560802649.db2.gz	YGRFQMHDEGPYCU-UHFFFAOYSA-N	-1	1	402.498	4.211	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCCC5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101828074	560802668	/nfs/dbraw/zinc/80/26/68/560802668.db2.gz	BELPLGLYPLAWBI-UHFFFAOYSA-N	-1	1	414.509	4.498	50	0		HIAAMM
O=C(NC1CCCC1)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1	ZINC000101827784	560802692	/nfs/dbraw/zinc/80/26/92/560802692.db2.gz	NWUPRXYAQQMEAS-UHFFFAOYSA-N	-1	1	406.873	4.144	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1	ZINC000102731007	560822340	/nfs/dbraw/zinc/82/23/40/560822340.db2.gz	RMNAEOOPLMGPFF-DNVJHFABSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102764760	560825125	/nfs/dbraw/zinc/82/51/25/560825125.db2.gz	JFIYDXQRDDANTE-DNVJHFABSA-N	-1	1	414.461	4.136	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]1c1ccco1	ZINC000102863194	560832342	/nfs/dbraw/zinc/83/23/42/560832342.db2.gz	BVTUXBLUJIFZQU-UFYCRDLUSA-N	-1	1	408.841	4.293	50	0		HIAAMM
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1	ZINC000033130275	568511338	/nfs/dbraw/zinc/51/13/38/568511338.db2.gz	ONPAIIOIWSFLQP-UHFFFAOYSA-N	-1	1	412.486	4.433	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)c(F)c1	ZINC000021358868	568689874	/nfs/dbraw/zinc/68/98/74/568689874.db2.gz	SCVBONCKFXHSOV-UHFFFAOYSA-N	-1	1	413.405	4.483	50	0		HIAAMM
COC1CCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	ZINC000096122399	568700204	/nfs/dbraw/zinc/70/02/04/568700204.db2.gz	DSFMBCGOTZWVDS-UHFFFAOYSA-N	-1	1	415.342	4.409	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCCCC3)ccc2N1	ZINC000018707790	568738738	/nfs/dbraw/zinc/73/87/38/568738738.db2.gz	IEIOKWYPCPGATK-UHFFFAOYSA-N	-1	1	419.934	4.016	50	0		HIAAMM
CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc21	ZINC000021756692	568752171	/nfs/dbraw/zinc/75/21/71/568752171.db2.gz	NOSYCIRNFKFCMZ-UHFFFAOYSA-N	-1	1	416.543	4.211	50	0		HIAAMM
CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc([O-])cc2O)s1	ZINC000002617143	568785869	/nfs/dbraw/zinc/78/58/69/568785869.db2.gz	FZFZKKDPXZCOSW-UHFFFAOYSA-N	-1	1	403.485	4.067	50	0		HIAAMM
CC(C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000003226127	568847518	/nfs/dbraw/zinc/84/75/18/568847518.db2.gz	QBWNDQVYEIALPA-UHFFFAOYSA-N	-1	1	420.840	4.298	50	0		HIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)c1	ZINC000003424270	568900388	/nfs/dbraw/zinc/90/03/88/568900388.db2.gz	BVSYUWAADUNZGA-UHFFFAOYSA-N	-1	1	422.222	4.471	50	0		HIAAMM
CCCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21	ZINC000001252751	568908982	/nfs/dbraw/zinc/90/89/82/568908982.db2.gz	LPKHEGDHGBZEHG-UHFFFAOYSA-N	-1	1	401.260	4.132	50	0		HIAAMM
CCc1c([N-]S(=O)(=O)c2ccc(F)cc2)n[nH]c1-c1ccc(Br)cc1	ZINC000083817678	568917639	/nfs/dbraw/zinc/91/76/39/568917639.db2.gz	KZPRPGDMWDCJAK-UHFFFAOYSA-N	-1	1	424.295	4.342	50	0		HIAAMM
O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Br)s1	ZINC000003653589	568922748	/nfs/dbraw/zinc/92/27/48/568922748.db2.gz	CLPQLSGDYGYAQJ-UHFFFAOYSA-N	-1	1	420.693	4.071	50	0		HIAAMM
O=C(Cc1sc(Cc2nc3ccccc3[nH]2)nc1[O-])Nc1ccc2ccccc2c1	ZINC000008157108	568978523	/nfs/dbraw/zinc/97/85/23/568978523.db2.gz	MPOHQHPJXYXHOL-IBGZPJMESA-N	-1	1	414.490	4.328	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1C	ZINC000008181120	568979897	/nfs/dbraw/zinc/97/98/97/568979897.db2.gz	GIKVQRKCDGFHIH-UHFFFAOYSA-N	-1	1	406.935	4.384	50	0		HIAAMM
CC1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1	ZINC000008195545	568982226	/nfs/dbraw/zinc/98/22/26/568982226.db2.gz	QHVKLHVFQMRNRD-UHFFFAOYSA-N	-1	1	422.550	4.442	50	0		HIAAMM
O=C(NCC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000006146807	569014607	/nfs/dbraw/zinc/01/46/07/569014607.db2.gz	ODZMEMNIGBONTF-UHFFFAOYSA-N	-1	1	408.470	4.076	50	0		HIAAMM
O=C(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000012920192	569022948	/nfs/dbraw/zinc/02/29/48/569022948.db2.gz	JKPCINKLSGHQQL-UHFFFAOYSA-N	-1	1	418.877	4.461	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn3c(n2)CCCC3)cc1Cl	ZINC000575619744	569038726	/nfs/dbraw/zinc/03/87/26/569038726.db2.gz	KYHVUFSTICCTSY-UHFFFAOYSA-N	-1	1	417.918	4.349	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000035684034	569049042	/nfs/dbraw/zinc/04/90/42/569049042.db2.gz	BQIGKIWMIQHJNN-QHCPKHFHSA-N	-1	1	419.506	4.185	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1	ZINC000006623264	569075055	/nfs/dbraw/zinc/07/50/55/569075055.db2.gz	NNIAYJKRLKBEHC-UHFFFAOYSA-N	-1	1	400.525	4.130	50	0		HIAAMM
CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1	ZINC000064747851	569089076	/nfs/dbraw/zinc/08/90/76/569089076.db2.gz	CTUKWHQQVUXUDA-UHFFFAOYSA-N	-1	1	422.553	4.369	50	0		HIAAMM
CCc1nnc([N-]C(=O)c2nc(SCc3ccccc3C)ncc2Cl)s1	ZINC000006748162	569108597	/nfs/dbraw/zinc/10/85/97/569108597.db2.gz	JOIOMWIRMZOMSI-UHFFFAOYSA-N	-1	1	405.936	4.397	50	0		HIAAMM
O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21	ZINC000064862108	569110457	/nfs/dbraw/zinc/11/04/57/569110457.db2.gz	ZPVFVJLWQXFBJF-UHFFFAOYSA-N	-1	1	417.506	4.031	50	0		HIAAMM
CCSc1nc2sc3c(c2c2n[n-]c(=S)n21)CCN(Cc1ccccc1)C3	ZINC000006784289	569121394	/nfs/dbraw/zinc/12/13/94/569121394.db2.gz	RUCHEJAPFXKXQV-UHFFFAOYSA-N	-1	1	413.597	4.298	50	0		HIAAMM
Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000036391534	569166485	/nfs/dbraw/zinc/16/64/85/569166485.db2.gz	AEFRXHKPXWKOGK-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
COc1ccc(Br)cc1C[N@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12	ZINC000007266346	569230965	/nfs/dbraw/zinc/23/09/65/569230965.db2.gz	DZFPCXCLNITQQQ-UHFFFAOYSA-N	-1	1	418.287	4.210	50	0		HIAAMM
COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(F)cc4)no3)n2)c1	ZINC000016960564	569269126	/nfs/dbraw/zinc/26/91/26/569269126.db2.gz	BPXMMNMEAPYJTB-UHFFFAOYSA-N	-1	1	410.430	4.339	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccc1	ZINC000136461697	569359360	/nfs/dbraw/zinc/35/93/60/569359360.db2.gz	NYINATMVWNAHFI-VSKRKVRLSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000013062784	569408322	/nfs/dbraw/zinc/40/83/22/569408322.db2.gz	MPPJAFMBTJQOID-UHFFFAOYSA-N	-1	1	401.406	4.463	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(C)=O	ZINC000013138095	569409814	/nfs/dbraw/zinc/40/98/14/569409814.db2.gz	SKNWVVLQXJKDCN-UHFFFAOYSA-N	-1	1	422.812	4.127	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1F	ZINC000067293410	571069103	/nfs/dbraw/zinc/06/91/03/571069103.db2.gz	NATYVGRTEICCMP-LVWGJNHUSA-N	-1	1	405.385	4.166	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cc(Cl)ccc1F	ZINC000067298882	571072900	/nfs/dbraw/zinc/07/29/00/571072900.db2.gz	RJOAXBLQSFINRF-MEFNAMQOSA-N	-1	1	416.836	4.072	50	0		HIAAMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1	ZINC000008600241	571089941	/nfs/dbraw/zinc/08/99/41/571089941.db2.gz	QMZKJZIGJUSVLA-UHFFFAOYSA-N	-1	1	414.483	4.244	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2)cc1	ZINC000008718367	571105821	/nfs/dbraw/zinc/10/58/21/571105821.db2.gz	GWXRPQBBBUSSFH-AWEZNQCLSA-N	-1	1	416.524	4.049	50	0		HIAAMM
CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21	ZINC000008840928	571124204	/nfs/dbraw/zinc/12/42/04/571124204.db2.gz	WVBKBLUJKHJNGS-UHFFFAOYSA-N	-1	1	406.935	4.466	50	0		HIAAMM
Cc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)c(C)c2)n1	ZINC000040152651	571200246	/nfs/dbraw/zinc/20/02/46/571200246.db2.gz	SEPHPRUPEOTIAN-UHFFFAOYSA-N	-1	1	422.304	4.225	50	0		HIAAMM
CCCN1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O	ZINC000009171869	571234084	/nfs/dbraw/zinc/23/40/84/571234084.db2.gz	CQGHVPGSBYWISX-UHFFFAOYSA-N	-1	1	422.934	4.302	50	0		HIAAMM
Cc1cc(=O)[n-]c(SCCCCCCCCCCSc2nc(C)cc(=O)[nH]2)n1	ZINC000009434063	571258581	/nfs/dbraw/zinc/25/85/81/571258581.db2.gz	YCQSTMRWTGTDCB-UHFFFAOYSA-N	-1	1	422.620	4.475	50	0		HIAAMM
O=c1cc2nc(-c3ccccc3F)nc(SCCOc3ccc(Cl)cc3)n2[n-]1	ZINC000009640942	571275787	/nfs/dbraw/zinc/27/57/87/571275787.db2.gz	REFIWZCLEBBCCU-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
C[C@@H](CCc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010314558	571300143	/nfs/dbraw/zinc/30/01/43/571300143.db2.gz	WPYZUGKKRAGRPX-SFHVURJKSA-N	-1	1	408.523	4.239	50	0		HIAAMM
COc1ccc2nc(Nc3nc(CSc4ccc(C)cc4)cc(=O)[n-]3)nc(C)c2c1	ZINC000001258701	571309344	/nfs/dbraw/zinc/30/93/44/571309344.db2.gz	GDPBSDLCGOATGC-UHFFFAOYSA-N	-1	1	419.510	4.374	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc21	ZINC000006893079	132319857	/nfs/dbraw/zinc/31/98/57/132319857.db2.gz	FDNCKTIWMXHROZ-GFCCVEGCSA-N	-1	1	410.948	4.296	50	0		HIAAMM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc2o1	ZINC000032097530	519105727	/nfs/dbraw/zinc/10/57/27/519105727.db2.gz	MBTVBUBETLWWMU-UHFFFAOYSA-N	-1	1	413.499	4.053	50	0		HIAAMM
CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cc21	ZINC000020577889	519394149	/nfs/dbraw/zinc/39/41/49/519394149.db2.gz	WVTPFTKSLRXZSL-UHFFFAOYSA-N	-1	1	421.316	4.304	50	0		HIAAMM
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1F	ZINC000045992776	522437334	/nfs/dbraw/zinc/43/73/34/522437334.db2.gz	PYMWMUWDPRWAPJ-UHFFFAOYSA-N	-1	1	405.472	4.450	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)nc1	ZINC000032721950	525244365	/nfs/dbraw/zinc/24/43/65/525244365.db2.gz	LAUGOQZHBOBTLR-UHFFFAOYSA-N	-1	1	401.875	4.097	50	0		HIAAMM
CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)c1	ZINC000032943893	526141212	/nfs/dbraw/zinc/14/12/12/526141212.db2.gz	KIQNBGLZDRANSE-LBPRGKRZSA-N	-1	1	408.570	4.056	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2)cc1	ZINC000000631005	557026493	/nfs/dbraw/zinc/02/64/93/557026493.db2.gz	PRCRCAIYYBKWNL-UHFFFAOYSA-N	-1	1	412.511	4.308	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1OC	ZINC000000876717	557108300	/nfs/dbraw/zinc/10/83/00/557108300.db2.gz	QOOCHAHDKPJFOY-BZZOAKBMSA-N	-1	1	417.421	4.035	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1NC(=O)CCc1ccccc1	ZINC000001113518	557185433	/nfs/dbraw/zinc/18/54/33/557185433.db2.gz	BPVQUKLGGLWHKS-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(=O)/C=C/c1ccccc1	ZINC000001125809	557195286	/nfs/dbraw/zinc/19/52/86/557195286.db2.gz	IQNHOHHOWRSCNX-NTCAYCPXSA-N	-1	1	408.479	4.148	50	0		HIAAMM
COc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccc(C)cn1	ZINC000004599484	557571201	/nfs/dbraw/zinc/57/12/01/557571201.db2.gz	VIFMQBHRIRDZMP-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
CCCCC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1	ZINC000005503072	557658816	/nfs/dbraw/zinc/65/88/16/557658816.db2.gz	HHNAMFLBDLSEDN-HNNXBMFYSA-N	-1	1	419.547	4.320	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008132277	557773133	/nfs/dbraw/zinc/77/31/33/557773133.db2.gz	SOYQIBOCOXUSIJ-MRXNPFEDSA-N	-1	1	417.506	4.194	50	0		HIAAMM
CC(C)Cn1c(=O)cc([O-])nc1SCC(=O)N(C1CCCCC1)C1CCCCC1	ZINC000013040423	558506785	/nfs/dbraw/zinc/50/67/85/558506785.db2.gz	VCWNQDSWHYXBCH-UHFFFAOYSA-N	-1	1	421.607	4.191	50	0		HIAAMM
COc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[n-]3)nc12	ZINC000013633901	558552956	/nfs/dbraw/zinc/55/29/56/558552956.db2.gz	LRLLIVJMPJPXMZ-UHFFFAOYSA-N	-1	1	421.888	4.326	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCc2csc(-c3cccc(OC)c3OC)n2)n1	ZINC000014069317	558617250	/nfs/dbraw/zinc/61/72/50/558617250.db2.gz	HSQNVZFAUKVYOP-UHFFFAOYSA-N	-1	1	403.529	4.155	50	0		HIAAMM
CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1	ZINC000033274829	558764645	/nfs/dbraw/zinc/76/46/45/558764645.db2.gz	KINDVOTTXXUWHO-UHFFFAOYSA-N	-1	1	400.544	4.052	50	0		HIAAMM
Oc1c2c(ccc1-c1[nH]nc(C(F)(F)F)c1-c1cnn(-c3ccccc3)c1)OCO2	ZINC000110295581	558782773	/nfs/dbraw/zinc/78/27/73/558782773.db2.gz	NTVRFIFFYVPHRD-UHFFFAOYSA-N	-1	1	414.343	4.383	50	0		HIAAMM
CCc1cc2c([n-]c(=S)n(NC(=O)c3csc4c3CC[C@@H](C)C4)c2=O)s1	ZINC000017083252	558815790	/nfs/dbraw/zinc/81/57/90/558815790.db2.gz	AYWWYDXVLGJSRO-SECBINFHSA-N	-1	1	405.570	4.253	50	0		HIAAMM
CCOC(=O)c1c(N2C(=O)Nc3ccccc3N2O)n[n-]c1-c1cccc(Cl)c1	ZINC000013574729	558844059	/nfs/dbraw/zinc/84/40/59/558844059.db2.gz	KUTODLLULAHZHD-UHFFFAOYSA-N	-1	1	413.821	4.070	50	0		HIAAMM
CCOC(=O)c1c(-c2cccc(Cl)c2)n[n-]c1N1C(=O)Nc2ccccc2N1O	ZINC000013574729	558844061	/nfs/dbraw/zinc/84/40/61/558844061.db2.gz	KUTODLLULAHZHD-UHFFFAOYSA-N	-1	1	413.821	4.070	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(COc3ccccc3)n2)cc1)c1ccccc1	ZINC000033276426	559036179	/nfs/dbraw/zinc/03/61/79/559036179.db2.gz	LAXKQAGIVQOPJG-UHFFFAOYSA-N	-1	1	407.451	4.116	50	0		HIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc1	ZINC000033290005	559047072	/nfs/dbraw/zinc/04/70/72/559047072.db2.gz	SUISTDAOUIUUIY-UHFFFAOYSA-N	-1	1	407.542	4.248	50	0		HIAAMM
CCOc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OC	ZINC000011871200	559264934	/nfs/dbraw/zinc/26/49/34/559264934.db2.gz	LIABNWWKXIBXRM-UHFFFAOYSA-N	-1	1	412.515	4.352	50	0		HIAAMM
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000005447442	560589007	/nfs/dbraw/zinc/58/90/07/560589007.db2.gz	BXHKSCSHDTYAIS-GFCCVEGCSA-N	-1	1	400.422	4.035	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)C34CCC(CC3)C4)c2)cc1	ZINC000005557603	560614189	/nfs/dbraw/zinc/61/41/89/560614189.db2.gz	MJTSXJFBSVDCNF-UHFFFAOYSA-N	-1	1	400.500	4.015	50	0		HIAAMM
CCCOc1ccc([C@@H]2c3c(nc(N)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1	ZINC000101641815	560797593	/nfs/dbraw/zinc/79/75/93/560797593.db2.gz	VUUWKHLGVLJFPT-INIZCTEOSA-N	-1	1	400.438	4.102	50	0		HIAAMM
O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1Br	ZINC000013263030	560804469	/nfs/dbraw/zinc/80/44/69/560804469.db2.gz	YHWSGHFBURLGJV-UHFFFAOYSA-N	-1	1	406.257	4.101	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1	ZINC000005204355	568455450	/nfs/dbraw/zinc/45/54/50/568455450.db2.gz	NKSZJWJKSOZLJB-UHFFFAOYSA-N	-1	1	419.506	4.057	50	0		HIAAMM
Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000033173803	568511718	/nfs/dbraw/zinc/51/17/18/568511718.db2.gz	DBGPDOLPJZWQDT-UHFFFAOYSA-N	-1	1	405.398	4.405	50	0		HIAAMM
COc1ccc(OC)c(CNCc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])c1	ZINC000021025501	568658794	/nfs/dbraw/zinc/65/87/94/568658794.db2.gz	PDMOVQZCGOEPRZ-UHFFFAOYSA-N	-1	1	408.498	4.408	50	0		HIAAMM
O=c1[nH]c2ccccc2nc1-c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000096012490	568684858	/nfs/dbraw/zinc/68/48/58/568684858.db2.gz	VOSOTBLHUPNRFM-UHFFFAOYSA-N	-1	1	411.870	4.044	50	0		HIAAMM
O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2ccc(O)cc2)CC(=O)O1	ZINC000096113879	568693311	/nfs/dbraw/zinc/69/33/11/568693311.db2.gz	VFUBNDIBYPSTAM-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096113879	568693314	/nfs/dbraw/zinc/69/33/14/568693314.db2.gz	VFUBNDIBYPSTAM-MRXNPFEDSA-N	-1	1	400.386	4.312	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOc2ccccc2F)cc1	ZINC000012392225	568696386	/nfs/dbraw/zinc/69/63/86/568696386.db2.gz	GHTPXSMGTOFKHF-UHFFFAOYSA-N	-1	1	414.506	4.031	50	0		HIAAMM
O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000001099431	568769858	/nfs/dbraw/zinc/76/98/58/568769858.db2.gz	AOOJEMQZLBCAAT-UHFFFAOYSA-N	-1	1	412.536	4.359	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCCC3)cc2)c1	ZINC000002636049	568792222	/nfs/dbraw/zinc/79/22/22/568792222.db2.gz	JSKQEOYGILEPGX-UHFFFAOYSA-N	-1	1	400.544	4.414	50	0		HIAAMM
COc1ccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cc1[N-]S(C)(=O)=O	ZINC000029077484	568818152	/nfs/dbraw/zinc/81/81/52/568818152.db2.gz	JDDYKFQDVLMTHN-UHFFFAOYSA-N	-1	1	415.515	4.098	50	0		HIAAMM
Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1	ZINC000012541608	568848736	/nfs/dbraw/zinc/84/87/36/568848736.db2.gz	SIVFQQYYCFWWNB-UHFFFAOYSA-N	-1	1	407.467	4.324	50	0		HIAAMM
CN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000012548668	568851837	/nfs/dbraw/zinc/85/18/37/568851837.db2.gz	DQYCWHFPGYSXLG-UHFFFAOYSA-N	-1	1	414.914	4.413	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1	ZINC000003236524	568865818	/nfs/dbraw/zinc/86/58/18/568865818.db2.gz	NTBUVESVAMWGTJ-UHFFFAOYSA-N	-1	1	414.483	4.267	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)CC)c2)cc1	ZINC000012584911	568865894	/nfs/dbraw/zinc/86/58/94/568865894.db2.gz	BYCGCROXRKQYEB-CYBMUJFWSA-N	-1	1	410.923	4.068	50	0		HIAAMM
COc1ccc([O-])c(C(=O)c2cnn(C(=S)Nc3cccc(C(F)(F)F)c3)c2)c1	ZINC000003335769	568882771	/nfs/dbraw/zinc/88/27/71/568882771.db2.gz	MFEHSAVDVGGYKY-UHFFFAOYSA-N	-1	1	421.400	4.092	50	0		HIAAMM
O=C(Nc1nccs1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000031534832	568927678	/nfs/dbraw/zinc/92/76/78/568927678.db2.gz	YXHDHUXWMHKOQA-UHFFFAOYSA-N	-1	1	409.492	4.349	50	0		HIAAMM
CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)NCc3ccccc3)[n-]c(=O)c21	ZINC000001407737	568928516	/nfs/dbraw/zinc/92/85/16/568928516.db2.gz	HEQVCPOWKJZJLR-XMMPIXPASA-N	-1	1	419.550	4.069	50	0		HIAAMM
COc1cc(OC)cc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)c1	ZINC000004276128	568958183	/nfs/dbraw/zinc/95/81/83/568958183.db2.gz	MPYMFOMMTYHNSH-UHFFFAOYSA-N	-1	1	400.243	4.374	50	0		HIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccnc3)CC(=O)O4)c2=O)cc1	ZINC000085878602	569009696	/nfs/dbraw/zinc/00/96/96/569009696.db2.gz	XAPNQHXBPMKFHR-INIZCTEOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccnc2)cc1	ZINC000085878602	569009697	/nfs/dbraw/zinc/00/96/97/569009697.db2.gz	XAPNQHXBPMKFHR-INIZCTEOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1	ZINC000015870072	569017120	/nfs/dbraw/zinc/01/71/20/569017120.db2.gz	RJJKPAPOQCHRPR-UHFFFAOYSA-N	-1	1	415.418	4.074	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2s1	ZINC000015870375	569017254	/nfs/dbraw/zinc/01/72/54/569017254.db2.gz	ZVXBTVMUWNLZJZ-UHFFFAOYSA-N	-1	1	409.920	4.489	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2s1	ZINC000015870397	569017313	/nfs/dbraw/zinc/01/73/13/569017313.db2.gz	KWDCVWVPBNZCLY-UHFFFAOYSA-N	-1	1	403.529	4.453	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3C)cc2)c1	ZINC000015870674	569017503	/nfs/dbraw/zinc/01/75/03/569017503.db2.gz	IHRHKKPTGOCIBY-UHFFFAOYSA-N	-1	1	405.523	4.468	50	0		HIAAMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cn3c(n2)CCCC3)cc1C	ZINC000575621389	569038979	/nfs/dbraw/zinc/03/89/79/569038979.db2.gz	WOXPYKGSQHURBV-UHFFFAOYSA-N	-1	1	411.527	4.313	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)C[C@H]1c1ccco1	ZINC000035684055	569049039	/nfs/dbraw/zinc/04/90/39/569049039.db2.gz	WXPHKMMDDNBLGO-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc(-c2nc(-c3ccccc3)no2)c1	ZINC000064610862	569071298	/nfs/dbraw/zinc/07/12/98/569071298.db2.gz	GWYWZBJYMCRDKY-UHFFFAOYSA-N	-1	1	413.405	4.483	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(Cn2ccnc2)n3CC(C)C)cc1	ZINC000006665582	569086088	/nfs/dbraw/zinc/08/60/88/569086088.db2.gz	JQIDIRQSIAKODT-UHFFFAOYSA-N	-1	1	423.542	4.046	50	0		HIAAMM
CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1	ZINC000064801764	569097894	/nfs/dbraw/zinc/09/78/94/569097894.db2.gz	HSRWBNUAWJEXHJ-UHFFFAOYSA-N	-1	1	417.922	4.415	50	0		HIAAMM
COc1cc(Br)cc2c1Oc1nc(-c3cccc(O)c3)[n-]c(=O)c1C2	ZINC000006748503	569108960	/nfs/dbraw/zinc/10/89/60/569108960.db2.gz	IXFHGRVGKKOEQU-UHFFFAOYSA-N	-1	1	401.216	4.022	50	0		HIAAMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1	ZINC000065021191	569154449	/nfs/dbraw/zinc/15/44/49/569154449.db2.gz	GIWZNATWHVDYHC-UHFFFAOYSA-N	-1	1	418.946	4.483	50	0		HIAAMM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000065116401	569179775	/nfs/dbraw/zinc/17/97/75/569179775.db2.gz	MRKKQQMDMCVNOI-UHFFFAOYSA-N	-1	1	413.499	4.280	50	0		HIAAMM
Cc1ccc(OCCSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1Cl	ZINC000006915647	569182127	/nfs/dbraw/zinc/18/21/27/569182127.db2.gz	SULTVBFETSWGCM-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc2N1C(=O)C1CCC1	ZINC000006935350	569186094	/nfs/dbraw/zinc/18/60/94/569186094.db2.gz	QQPQUGIQYWSSIW-MRXNPFEDSA-N	-1	1	424.566	4.444	50	0		HIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(-n2cnc3ccccc32)cc1	ZINC000007139794	569225769	/nfs/dbraw/zinc/22/57/69/569225769.db2.gz	KKPYMZPBEBODHH-UHFFFAOYSA-N	-1	1	412.401	4.195	50	0		HIAAMM
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1	ZINC000016975273	569269902	/nfs/dbraw/zinc/26/99/02/569269902.db2.gz	QZWVEYVPLLTGIB-UHFFFAOYSA-N	-1	1	424.503	4.325	50	0		HIAAMM
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1	ZINC000017010952	569271319	/nfs/dbraw/zinc/27/13/19/569271319.db2.gz	WPHIRKAMGSCICO-UHFFFAOYSA-N	-1	1	408.527	4.161	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(Cl)c1	ZINC000017150020	569275670	/nfs/dbraw/zinc/27/56/70/569275670.db2.gz	STIJMIXYZPTKNZ-UHFFFAOYSA-N	-1	1	414.918	4.198	50	0		HIAAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)cc1	ZINC000253424769	569368124	/nfs/dbraw/zinc/36/81/24/569368124.db2.gz	AUAHKDNQFMQSLN-UHFFFAOYSA-N	-1	1	409.511	4.432	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc(OC)c1	ZINC000013357883	569411490	/nfs/dbraw/zinc/41/14/90/569411490.db2.gz	FEZYLSJIOBTIHW-UHFFFAOYSA-N	-1	1	404.513	4.245	50	0		HIAAMM
CSc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)c1	ZINC000067298532	571072674	/nfs/dbraw/zinc/07/26/74/571072674.db2.gz	FNELPJBBILEKKW-KAMJJXHCSA-N	-1	1	410.495	4.002	50	0		HIAAMM
CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21	ZINC000008840917	571124195	/nfs/dbraw/zinc/12/41/95/571124195.db2.gz	XPTJPUDMBDCGPX-UHFFFAOYSA-N	-1	1	406.935	4.466	50	0		HIAAMM
CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000040106673	571167211	/nfs/dbraw/zinc/16/72/11/571167211.db2.gz	FTYWNLYUDRYXBM-UHFFFAOYSA-N	-1	1	423.494	4.007	50	0		HIAAMM
CN1c2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2OCC(C)(C)C1=O	ZINC000009165733	571232412	/nfs/dbraw/zinc/23/24/12/571232412.db2.gz	ASDDXGHBIDRGLJ-UHFFFAOYSA-N	-1	1	410.495	4.022	50	0		HIAAMM
Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000009378390	571253253	/nfs/dbraw/zinc/25/32/53/571253253.db2.gz	MVWWYMSBZUYNSV-UHFFFAOYSA-N	-1	1	413.446	4.391	50	0		HIAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4nc5ccccc5s4)c3)ccc2N1	ZINC000009477432	571261775	/nfs/dbraw/zinc/26/17/75/571261775.db2.gz	DVMYVJULPHUEAB-UHFFFAOYSA-N	-1	1	421.503	4.259	50	0		HIAAMM
Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCCOc2ccccc2Cl)n1	ZINC000009640628	571275633	/nfs/dbraw/zinc/27/56/33/571275633.db2.gz	URDOTNKHMMVGBE-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
O=C(Nc1cc(F)c(F)cc1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000078509125	571313411	/nfs/dbraw/zinc/31/34/11/571313411.db2.gz	RIXHYWOFHFJVST-UHFFFAOYSA-N	-1	1	406.385	4.157	50	0		HIAAMM
Cc1nc(C)c(-c2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)s1	ZINC000033276393	571315980	/nfs/dbraw/zinc/31/59/80/571315980.db2.gz	YNDODUVQNTTYGN-UHFFFAOYSA-N	-1	1	412.496	4.278	50	0		HIAAMM
CCCCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccccc21	ZINC000004578412	845064155	/nfs/dbraw/zinc/06/41/55/845064155.db2.gz	DGWCCAXXZIJALQ-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
O=C(/C=C\c1ccc(F)cc1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006147091	845177944	/nfs/dbraw/zinc/17/79/44/845177944.db2.gz	OXUTXAYHQIOBKX-AUWJEWJLSA-N	-1	1	414.433	4.418	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nnn[n-]1	ZINC000102395249	852664410	/nfs/dbraw/zinc/66/44/10/852664410.db2.gz	KIAKGAJPWMTOMN-RGEXLXHISA-N	-1	1	419.872	4.013	50	0		HIAAMM
O=C(NCCc1ccccc1)C(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nn[n-]n1	ZINC000102395249	852664412	/nfs/dbraw/zinc/66/44/12/852664412.db2.gz	KIAKGAJPWMTOMN-RGEXLXHISA-N	-1	1	419.872	4.013	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1	ZINC000009529546	132340758	/nfs/dbraw/zinc/34/07/58/132340758.db2.gz	LZVFNFZUADEUJC-UHFFFAOYSA-N	-1	1	408.527	4.243	50	0		HIAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1	ZINC000032098211	525003843	/nfs/dbraw/zinc/00/38/43/525003843.db2.gz	PQBRNEFDKCBBHH-UHFFFAOYSA-N	-1	1	408.838	4.434	50	0		HIAAMM
O=C(NCCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000000631149	557026673	/nfs/dbraw/zinc/02/66/73/557026673.db2.gz	DQBJJQGFQBGRNX-UHFFFAOYSA-N	-1	1	414.914	4.113	50	0		HIAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C)c2)cc1	ZINC000000825802	557093785	/nfs/dbraw/zinc/09/37/85/557093785.db2.gz	NBKAERWECJMQFG-UHFFFAOYSA-N	-1	1	408.479	4.251	50	0		HIAAMM
O=C(NCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000001063993	557165669	/nfs/dbraw/zinc/16/56/69/557165669.db2.gz	LXZAZENDZXLFQH-UHFFFAOYSA-N	-1	1	400.887	4.071	50	0		HIAAMM
O=C(c1ccc(F)cc1)N1C(=S)[N-]C(=O)C1=Cc1ccc(Br)cc1	ZINC000001251444	557251782	/nfs/dbraw/zinc/25/17/82/557251782.db2.gz	DQRDLAZESZXXFY-NTEUORMPSA-N	-1	1	405.248	4.327	50	0		HIAAMM
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(F)cc1	ZINC000001413901	557259963	/nfs/dbraw/zinc/25/99/63/557259963.db2.gz	WRRLKLGJLKUESS-UHFFFAOYSA-N	-1	1	407.426	4.466	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1C	ZINC000002869360	557414147	/nfs/dbraw/zinc/41/41/47/557414147.db2.gz	AZASGTHYKZBJLJ-UHFFFAOYSA-N	-1	1	420.534	4.303	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)cc1	ZINC000002880948	557419150	/nfs/dbraw/zinc/41/91/50/557419150.db2.gz	LWOUOKVDTLZBIB-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000004183078	557525787	/nfs/dbraw/zinc/52/57/87/557525787.db2.gz	CYSKHBCHNLYEME-YPAWHYETSA-N	-1	1	402.425	4.185	50	0		HIAAMM
C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccn1	ZINC000010557651	557539656	/nfs/dbraw/zinc/53/96/56/557539656.db2.gz	XMUJPYNZVBNZGE-CQSZACIVSA-N	-1	1	415.902	4.027	50	0		HIAAMM
Cc1n[nH]cc1[C@@H](c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1	ZINC000004844757	557605293	/nfs/dbraw/zinc/60/52/93/557605293.db2.gz	ZTGBPDYWVQFLKR-NRFANRHFSA-N	-1	1	402.454	4.163	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2	ZINC000007990971	557769141	/nfs/dbraw/zinc/76/91/41/557769141.db2.gz	OLIDYWBNIXBEDE-CQSZACIVSA-N	-1	1	405.545	4.118	50	0		HIAAMM
C[C@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000011902927	558295877	/nfs/dbraw/zinc/29/58/77/558295877.db2.gz	GPASMFFQZVMNLO-QMMMGPOBSA-N	-1	1	417.840	4.050	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1	ZINC000012799415	558471025	/nfs/dbraw/zinc/47/10/25/558471025.db2.gz	XJUNZMRWWVSLLH-KRWDZBQOSA-N	-1	1	406.507	4.387	50	0		HIAAMM
O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NC2CC2)cc1	ZINC000013937412	558603769	/nfs/dbraw/zinc/60/37/69/558603769.db2.gz	ODFGHSSPJBOPDC-UHFFFAOYSA-N	-1	1	416.355	4.243	50	0		HIAAMM
CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NC1CCCCCC1	ZINC000013987850	558610831	/nfs/dbraw/zinc/61/08/31/558610831.db2.gz	MLMFCTOYFKZLFG-INIZCTEOSA-N	-1	1	421.390	4.135	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1Cl	ZINC000015869458	558760113	/nfs/dbraw/zinc/76/01/13/558760113.db2.gz	KPXPVQGFPGANOA-UHFFFAOYSA-N	-1	1	406.935	4.005	50	0		HIAAMM
CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1	ZINC000015869519	558760117	/nfs/dbraw/zinc/76/01/17/558760117.db2.gz	JFPWUJHFBWMXEA-KRWDZBQOSA-N	-1	1	400.544	4.051	50	0		HIAAMM
CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1	ZINC000033274889	558764865	/nfs/dbraw/zinc/76/48/65/558764865.db2.gz	FBQHEXVEJBKHIB-UHFFFAOYSA-N	-1	1	406.935	4.007	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)N1CCCC1	ZINC000017070373	558813704	/nfs/dbraw/zinc/81/37/04/558813704.db2.gz	IFXHKCALNJZRDG-UHFFFAOYSA-N	-1	1	404.557	4.062	50	0		HIAAMM
CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2s1	ZINC000033007602	558828544	/nfs/dbraw/zinc/82/85/44/558828544.db2.gz	BPZAABCHXREBMD-UHFFFAOYSA-N	-1	1	403.529	4.254	50	0		HIAAMM
Cc1cc(Br)cc(C)c1NC(=O)NCCn1c(=S)[n-]nc1C(C)C	ZINC000072313582	558840588	/nfs/dbraw/zinc/84/05/88/558840588.db2.gz	URJRZCRFHODQLG-UHFFFAOYSA-N	-1	1	412.357	4.265	50	0		HIAAMM
COc1ccc(OC)c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1	ZINC000050005020	558851903	/nfs/dbraw/zinc/85/19/03/558851903.db2.gz	JVNJXRAWBJEOOY-ATJXCDBQSA-N	-1	1	423.450	4.097	50	0		HIAAMM
CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2F)s1	ZINC000033306401	559051430	/nfs/dbraw/zinc/05/14/30/559051430.db2.gz	PBBSTKFOADGSNT-VQHVLOKHSA-N	-1	1	421.475	4.113	50	0		HIAAMM
COc1cc(C)c(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OC	ZINC000011646618	559119173	/nfs/dbraw/zinc/11/91/73/559119173.db2.gz	TWJGIJOGLMCEJU-UHFFFAOYSA-N	-1	1	412.515	4.271	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2	ZINC000101238025	559144143	/nfs/dbraw/zinc/14/41/43/559144143.db2.gz	JGBVULDOSYDIIH-HNNXBMFYSA-N	-1	1	419.934	4.320	50	0		HIAAMM
Cc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)sc2c1	ZINC000005154828	559254478	/nfs/dbraw/zinc/25/44/78/559254478.db2.gz	SUIHTTJJYHYJJF-UHFFFAOYSA-N	-1	1	408.508	4.086	50	0		HIAAMM
CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000005447443	560589013	/nfs/dbraw/zinc/58/90/13/560589013.db2.gz	BXHKSCSHDTYAIS-LBPRGKRZSA-N	-1	1	400.422	4.035	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C([O-])=C2ON1c1ccccc1	ZINC000017888344	560729950	/nfs/dbraw/zinc/72/99/50/560729950.db2.gz	VKESDKZNHVDEML-VSKRKVRLSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[n-]cc-3c2=O)cc1	ZINC000101282327	560790523	/nfs/dbraw/zinc/79/05/23/560790523.db2.gz	SWLPVZNMIOJJAQ-UHFFFAOYSA-N	-1	1	422.488	4.311	50	0		HIAAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1	ZINC000046914577	560879264	/nfs/dbraw/zinc/87/92/64/560879264.db2.gz	POIVVAYFFUOQRI-UHFFFAOYSA-N	-1	1	416.409	4.119	50	0		HIAAMM
Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Br)n[nH]c1-c1ccccc1	ZINC000095444333	568611446	/nfs/dbraw/zinc/61/14/46/568611446.db2.gz	KCVWWDBLIRGQQB-UHFFFAOYSA-N	-1	1	410.268	4.088	50	0		HIAAMM
CC[C@@H](C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1	ZINC000095453022	568615559	/nfs/dbraw/zinc/61/55/59/568615559.db2.gz	IBMGTRAHZXFQON-IUODEOHRSA-N	-1	1	404.429	4.160	50	0		HIAAMM
O=S(=O)([N-]c1cc(C2CCCC2)n[nH]1)c1cccc(Br)c1Cl	ZINC000225399614	568634262	/nfs/dbraw/zinc/63/42/62/568634262.db2.gz	NFAGTDXIZLDYKI-UHFFFAOYSA-N	-1	1	404.717	4.284	50	0		HIAAMM
O=c1[nH]c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000096012468	568684784	/nfs/dbraw/zinc/68/47/84/568684784.db2.gz	AGWVGJCASWVWIE-UHFFFAOYSA-N	-1	1	411.870	4.044	50	0		HIAAMM
O=C1C[C@@H](c2cccc(O)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096114251	568694046	/nfs/dbraw/zinc/69/40/46/568694046.db2.gz	UPTZIXDCEOQXIT-INIZCTEOSA-N	-1	1	416.385	4.018	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1cccc(O)c1)CC(=O)O2	ZINC000096114251	568694048	/nfs/dbraw/zinc/69/40/48/568694048.db2.gz	UPTZIXDCEOQXIT-INIZCTEOSA-N	-1	1	416.385	4.018	50	0		HIAAMM
CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000241923317	568732012	/nfs/dbraw/zinc/73/20/12/568732012.db2.gz	UEZFOGLVGUNHDF-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)c1ccco1	ZINC000022411531	568767835	/nfs/dbraw/zinc/76/78/35/568767835.db2.gz	XJDPNAVAODQPHI-UHFFFAOYSA-N	-1	1	410.373	4.352	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc4c(c3)CCC4)c2)cc1	ZINC000012507851	568839897	/nfs/dbraw/zinc/83/98/97/568839897.db2.gz	GLAVDBDKKPLLMS-UHFFFAOYSA-N	-1	1	422.506	4.237	50	0		HIAAMM
Cc1nc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)ccc2o1	ZINC000012536007	568845400	/nfs/dbraw/zinc/84/54/00/568845400.db2.gz	GQNNHIPCIVBORC-UHFFFAOYSA-N	-1	1	421.478	4.498	50	0		HIAAMM
O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1ccc(F)cc1)C1CC1	ZINC000012541964	568848779	/nfs/dbraw/zinc/84/87/79/568848779.db2.gz	GVJYVOYMKGEINB-UHFFFAOYSA-N	-1	1	424.497	4.431	50	0		HIAAMM
COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2C)cc1	ZINC000003211290	568862207	/nfs/dbraw/zinc/86/22/07/568862207.db2.gz	IWLITUJPGPXREQ-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
CCCc1n[n-]c(=S)n1CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1	ZINC000012625379	568878750	/nfs/dbraw/zinc/87/87/50/568878750.db2.gz	VGOIELOSKVXWGL-UHFFFAOYSA-N	-1	1	400.479	4.141	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Br)cc2)c1	ZINC000012741920	568929918	/nfs/dbraw/zinc/92/99/18/568929918.db2.gz	PMICMTYLLJVCKH-UHFFFAOYSA-N	-1	1	403.305	4.317	50	0		HIAAMM
COC(=O)c1sccc1Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000003997566	568931884	/nfs/dbraw/zinc/93/18/84/568931884.db2.gz	FGXHTASNIHDSQT-UHFFFAOYSA-N	-1	1	407.444	4.267	50	0		HIAAMM
CCOC(=O)C1=C(NC(=O)c2nc(Cl)ccc2Cl)[N-]c2ccccc2N=C1C	ZINC000084792472	568959665	/nfs/dbraw/zinc/95/96/65/568959665.db2.gz	HTUAWIAICYWKBZ-UHFFFAOYSA-N	-1	1	419.268	4.111	50	0		HIAAMM
C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1	ZINC000012820958	569004901	/nfs/dbraw/zinc/00/49/01/569004901.db2.gz	XWZYTFKFHSLZHG-HUUCEWRRSA-N	-1	1	406.935	4.259	50	0		HIAAMM
COc1ccc([C@@H](C)NC(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1F	ZINC000012868846	569012287	/nfs/dbraw/zinc/01/22/87/569012287.db2.gz	JLUCVKJCHKGMLC-CQSZACIVSA-N	-1	1	414.506	4.331	50	0		HIAAMM
COc1ccc(Br)cc1-c1nc(CSc2nc(C)cc(=O)[n-]2)c(C)o1	ZINC000035480811	569039380	/nfs/dbraw/zinc/03/93/80/569039380.db2.gz	HWDFNDUUOXJSRK-UHFFFAOYSA-N	-1	1	422.304	4.105	50	0		HIAAMM
CCCCN(C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000064843610	569107722	/nfs/dbraw/zinc/10/77/22/569107722.db2.gz	CBQXSJNCYGAJCL-UHFFFAOYSA-N	-1	1	419.547	4.015	50	0		HIAAMM
CCc1nnc([N-]C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1	ZINC000006748085	569108604	/nfs/dbraw/zinc/10/86/04/569108604.db2.gz	RYPYHYUPQVKENB-UHFFFAOYSA-N	-1	1	409.899	4.228	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)N1CCC(Cc2ccccc2)CC1	ZINC000006813875	569137249	/nfs/dbraw/zinc/13/72/49/569137249.db2.gz	ITHUASPQNPPAJK-UHFFFAOYSA-N	-1	1	419.550	4.010	50	0		HIAAMM
O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000012997790	569406448	/nfs/dbraw/zinc/40/64/48/569406448.db2.gz	KOPJDVVBJLTYCE-UHFFFAOYSA-N	-1	1	418.877	4.461	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4[nH]c(C5CCCCC5)nc4c3)ccc2N1	ZINC000079052793	569425709	/nfs/dbraw/zinc/42/57/09/569425709.db2.gz	MYBRXRONADDVON-UHFFFAOYSA-N	-1	1	424.526	4.296	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1ccco1	ZINC000238882030	571046606	/nfs/dbraw/zinc/04/66/06/571046606.db2.gz	BVTUXBLUJIFZQU-AQNXPRMDSA-N	-1	1	408.841	4.293	50	0		HIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl	ZINC000067298821	571072470	/nfs/dbraw/zinc/07/24/70/571072470.db2.gz	STGZULJCXOUULY-QEQSUZCXSA-N	-1	1	412.873	4.241	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c1	ZINC000008840955	571124464	/nfs/dbraw/zinc/12/44/64/571124464.db2.gz	WKYSGGWSWYKGJK-UHFFFAOYSA-N	-1	1	400.544	4.430	50	0		HIAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1ccc(Oc2ccccc2)cc1	ZINC000008844245	571124812	/nfs/dbraw/zinc/12/48/12/571124812.db2.gz	FMRMMTFSBROYNU-UHFFFAOYSA-N	-1	1	407.495	4.172	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2CCC1=O	ZINC000008962398	571190193	/nfs/dbraw/zinc/19/01/93/571190193.db2.gz	FSHLPXFXQIJAHP-UHFFFAOYSA-N	-1	1	406.507	4.454	50	0		HIAAMM
CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)n1	ZINC000008988702	571206401	/nfs/dbraw/zinc/20/64/01/571206401.db2.gz	AXUXYVLUMQXDST-FQEVSTJZSA-N	-1	1	409.511	4.203	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1	ZINC000009168127	571233104	/nfs/dbraw/zinc/23/31/04/571233104.db2.gz	YYLCWDWCKJGESV-UHFFFAOYSA-N	-1	1	416.543	4.203	50	0		HIAAMM
CC(C)CCN1c2cc([N-]S(=O)(=O)c3ccccc3)ccc2OCC(C)(C)C1=O	ZINC000009174084	571234363	/nfs/dbraw/zinc/23/43/63/571234363.db2.gz	ORRPLVMKOQXXPQ-UHFFFAOYSA-N	-1	1	416.543	4.285	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccccc4n3)ccc2C)cc1OC	ZINC000009184813	571234732	/nfs/dbraw/zinc/23/47/32/571234732.db2.gz	LZMAOMRTNURJJH-UHFFFAOYSA-N	-1	1	423.494	4.128	50	0		HIAAMM
CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2snnc2C)cc1	ZINC000009250898	571242144	/nfs/dbraw/zinc/24/21/44/571242144.db2.gz	GKUWDTUXROBXJR-UHFFFAOYSA-N	-1	1	407.451	4.475	50	0		HIAAMM
Cn1c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2sc1=O	ZINC000009529590	571266687	/nfs/dbraw/zinc/26/66/87/571266687.db2.gz	WUDUWVLWYQRZMR-UHFFFAOYSA-N	-1	1	402.541	4.449	50	0		HIAAMM
O=c1cc2nc(-c3cccc(F)c3)nc(SCCOc3ccc(Cl)cc3)n2[n-]1	ZINC000009641014	571275716	/nfs/dbraw/zinc/27/57/16/571275716.db2.gz	QEBQOCDRUHPLLS-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
Cc1ccc(OCCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1C	ZINC000009641042	571275775	/nfs/dbraw/zinc/27/57/75/571275775.db2.gz	KAJLVTJENNLFIM-UHFFFAOYSA-N	-1	1	424.501	4.402	50	0		HIAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1	ZINC000032932355	518463209	/nfs/dbraw/zinc/46/32/09/518463209.db2.gz	MFLATZDVLNMQLX-UHFFFAOYSA-N	-1	1	409.442	4.372	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc21	ZINC000032943922	519635963	/nfs/dbraw/zinc/63/59/63/519635963.db2.gz	MSGMHTWSZQFTAC-AWEZNQCLSA-N	-1	1	416.568	4.213	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3F)CC2)[n-]c2c(-c3ccccc3)csc21	ZINC000044169308	527440539	/nfs/dbraw/zinc/44/05/39/527440539.db2.gz	CFSUXHMVZLDFCU-UHFFFAOYSA-N	-1	1	406.486	4.117	50	0		HIAAMM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1	ZINC000001155549	557213770	/nfs/dbraw/zinc/21/37/70/557213770.db2.gz	MGEGLXQNYUQEJQ-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccc1	ZINC000004159750	557521493	/nfs/dbraw/zinc/52/14/93/557521493.db2.gz	NYINATMVWNAHFI-YPAWHYETSA-N	-1	1	402.425	4.185	50	0		HIAAMM
O=C(NCCSc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000006270623	557697268	/nfs/dbraw/zinc/69/72/68/557697268.db2.gz	AJEXYXUJSYBDJW-UHFFFAOYSA-N	-1	1	412.536	4.010	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2	ZINC000007990982	557769146	/nfs/dbraw/zinc/76/91/46/557769146.db2.gz	LSTZDOWPMPOJIC-AWEZNQCLSA-N	-1	1	405.545	4.117	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1	ZINC000008132292	557773187	/nfs/dbraw/zinc/77/31/87/557773187.db2.gz	BPEWRNGUWIOHKC-MRXNPFEDSA-N	-1	1	417.506	4.052	50	0		HIAAMM
Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C3CCCCC3)cc1)n(C)c(=O)n2C	ZINC000009526584	557845172	/nfs/dbraw/zinc/84/51/72/557845172.db2.gz	ZOKUZQIZTICKGZ-UHFFFAOYSA-N	-1	1	413.543	4.034	50	0		HIAAMM
O=C([O-])[C@@H](c1c[nH]c2cccc(Cl)c21)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000020726362	558404926	/nfs/dbraw/zinc/40/49/26/558404926.db2.gz	SCHZXZFAUQYYIL-HXUWFJFHSA-N	-1	1	418.324	4.418	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1	ZINC000012631426	558442084	/nfs/dbraw/zinc/44/20/84/558442084.db2.gz	AUKKCBPXVDLAAA-UHFFFAOYSA-N	-1	1	404.435	4.100	50	0		HIAAMM
O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl	ZINC000021855385	558452435	/nfs/dbraw/zinc/45/24/35/558452435.db2.gz	HXQQOQJBBXCMPS-CYBMUJFWSA-N	-1	1	420.749	4.459	50	0		HIAAMM
NC(=O)c1cc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)ccc1[O-]	ZINC000072079641	558454267	/nfs/dbraw/zinc/45/42/67/558454267.db2.gz	UCUBCYMHPRSSKK-UHFFFAOYSA-N	-1	1	419.293	4.160	50	0		HIAAMM
O=C(Cc1n[n-]c(=S)n1Cc1ccccc1)Nc1ccc(OCC(F)(F)F)cc1	ZINC000010979913	558634780	/nfs/dbraw/zinc/63/47/80/558634780.db2.gz	VSOFNXZEBLVRCK-UHFFFAOYSA-N	-1	1	422.432	4.111	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cl)cc1-n1cccc1)c1ccc2c(c1)OCCCO2	ZINC000072271994	558677263	/nfs/dbraw/zinc/67/72/63/558677263.db2.gz	AMDQRSIFHKVFMO-UHFFFAOYSA-N	-1	1	404.875	4.093	50	0		HIAAMM
C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1	ZINC000029243784	558712263	/nfs/dbraw/zinc/71/22/63/558712263.db2.gz	DLSMJYLDAYTPIN-HRAATJIYSA-N	-1	1	424.522	4.476	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc[nH]c1=S	ZINC000030121153	558727229	/nfs/dbraw/zinc/72/72/29/558727229.db2.gz	YZHQSIUVHDLJPR-UHFFFAOYSA-N	-1	1	419.915	4.451	50	0		HIAAMM
O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000015340524	558734514	/nfs/dbraw/zinc/73/45/14/558734514.db2.gz	DMJJXZYAACZDDW-UHFFFAOYSA-N	-1	1	418.877	4.210	50	0		HIAAMM
COc1ccccc1NC(=O)c1cc2ccc([O-])cc2o/c1=N\Nc1ccccc1	ZINC000004589046	558788793	/nfs/dbraw/zinc/78/87/93/558788793.db2.gz	WAEWEWVFXJGTOA-RWEWTDSWSA-N	-1	1	401.422	4.327	50	0		HIAAMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1	ZINC000017122579	558823095	/nfs/dbraw/zinc/82/30/95/558823095.db2.gz	QLTGUYULPOPCNR-UHFFFAOYSA-N	-1	1	406.935	4.376	50	0		HIAAMM
O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21	ZINC000013696214	558856534	/nfs/dbraw/zinc/85/65/34/558856534.db2.gz	YPWKPNPFZQKBLM-UHFFFAOYSA-N	-1	1	418.927	4.405	50	0		HIAAMM
Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000033173805	558902121	/nfs/dbraw/zinc/90/21/21/558902121.db2.gz	JEGCGDVGELFAGJ-UHFFFAOYSA-N	-1	1	405.398	4.405	50	0		HIAAMM
Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000033173805	558902126	/nfs/dbraw/zinc/90/21/26/558902126.db2.gz	JEGCGDVGELFAGJ-UHFFFAOYSA-N	-1	1	405.398	4.405	50	0		HIAAMM
COc1cccc(CSc2nc(CC(=O)NCCC3=CCCCC3)cc(=O)[n-]2)c1	ZINC000023138154	559018489	/nfs/dbraw/zinc/01/84/89/559018489.db2.gz	QBRNBKZHDYCBAJ-UHFFFAOYSA-N	-1	1	413.543	4.032	50	0		HIAAMM
O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21	ZINC000005099601	559244741	/nfs/dbraw/zinc/24/47/41/559244741.db2.gz	BWDMNNRUWDELRI-UHFFFAOYSA-N	-1	1	416.886	4.327	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)OCCCO3)cc1	ZINC000011760800	559258271	/nfs/dbraw/zinc/25/82/71/559258271.db2.gz	PIKZMSQVGCJLQH-UHFFFAOYSA-N	-1	1	410.499	4.106	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c1	ZINC000005204350	560538531	/nfs/dbraw/zinc/53/85/31/560538531.db2.gz	WFDGHHAKNZYVMM-UHFFFAOYSA-N	-1	1	419.506	4.112	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCCCC1	ZINC000017321178	560708832	/nfs/dbraw/zinc/70/88/32/560708832.db2.gz	ICCWEUIVRUNWJY-UHFFFAOYSA-N	-1	1	410.898	4.296	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[n-]cc-3c2=O)cc1	ZINC000101281909	560790394	/nfs/dbraw/zinc/79/03/94/560790394.db2.gz	CTWUUGRCOFPOLM-UHFFFAOYSA-N	-1	1	422.488	4.100	50	0		HIAAMM
CC(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1	ZINC000101495110	560796068	/nfs/dbraw/zinc/79/60/68/560796068.db2.gz	BCAUDEHIUJEZNO-IBGZPJMESA-N	-1	1	421.522	4.261	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)N5CCCCCC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101827565	560802466	/nfs/dbraw/zinc/80/24/66/560802466.db2.gz	HPFMESWDRCVPHM-UHFFFAOYSA-N	-1	1	414.509	4.397	50	0		HIAAMM
O=C(c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCCCC1	ZINC000101827723	560802511	/nfs/dbraw/zinc/80/25/11/560802511.db2.gz	MMMSDAWPMJUGOS-UHFFFAOYSA-N	-1	1	406.873	4.098	50	0		HIAAMM
O=C(CSc1nc([O-])cc(=O)n1C1CCCC1)Nc1cccc(Cl)c1Cl	ZINC000102125056	560807789	/nfs/dbraw/zinc/80/77/89/560807789.db2.gz	CYYADNLZIIYRQY-UHFFFAOYSA-N	-1	1	414.314	4.102	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)NCCC(C)C)ccc4[n-]cc-3c2=O)cc1	ZINC000101282362	560851688	/nfs/dbraw/zinc/85/16/88/560851688.db2.gz	ZXHDUUUVLMTMLT-UHFFFAOYSA-N	-1	1	402.498	4.157	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)C3CCCC3)cc2)cc1	ZINC000047216111	560885123	/nfs/dbraw/zinc/88/51/23/560885123.db2.gz	MCAREBUXRUPUSJ-UHFFFAOYSA-N	-1	1	416.543	4.291	50	0		HIAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1	ZINC000012125952	560889574	/nfs/dbraw/zinc/88/95/74/560889574.db2.gz	UNOHRAZKLUKIPO-UHFFFAOYSA-N	-1	1	421.545	4.111	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1-c1nc(C(C)C)no1	ZINC000046020292	568424018	/nfs/dbraw/zinc/42/40/18/568424018.db2.gz	IQXAXCXBNANKGW-UHFFFAOYSA-N	-1	1	401.488	4.286	50	0		HIAAMM
O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000020464056	568610129	/nfs/dbraw/zinc/61/01/29/568610129.db2.gz	SJTXMCVFCCDYIF-GFCCVEGCSA-N	-1	1	417.412	4.366	50	0		HIAAMM
CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)[nH]c1c2C(=O)CCC1	ZINC000020990539	568655875	/nfs/dbraw/zinc/65/58/75/568655875.db2.gz	LBRBXXYWQUOATL-UHFFFAOYSA-N	-1	1	404.438	4.328	50	0		HIAAMM
CC(C)OCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000096008713	568683518	/nfs/dbraw/zinc/68/35/18/568683518.db2.gz	PBMQJAQBSQCVTE-UHFFFAOYSA-N	-1	1	424.950	4.076	50	0		HIAAMM
O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2	ZINC000096117753	568697157	/nfs/dbraw/zinc/69/71/57/568697157.db2.gz	VAXCLXANFCQCDY-OAHLLOKOSA-N	-1	1	414.314	4.022	50	0		HIAAMM
COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cccc(OC(F)F)c1	ZINC000096118097	568697411	/nfs/dbraw/zinc/69/74/11/568697411.db2.gz	ORAHEUTZEBIREA-INIZCTEOSA-N	-1	1	402.397	4.003	50	0		HIAAMM
COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c(F)c1	ZINC000096118107	568697449	/nfs/dbraw/zinc/69/74/49/568697449.db2.gz	UZKJVLBIWQEWFS-SJKOYZFVSA-N	-1	1	405.495	4.340	50	0		HIAAMM
CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21	ZINC000086056903	568753766	/nfs/dbraw/zinc/75/37/66/568753766.db2.gz	CKZOEFKFRSGLKJ-KRWDZBQOSA-N	-1	1	421.522	4.325	50	0		HIAAMM
O=C(Nc1cccc2ncccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012605542	568871013	/nfs/dbraw/zinc/87/10/13/568871013.db2.gz	CICGIHAAKJXZTO-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
O=C(Nc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000012630650	568883441	/nfs/dbraw/zinc/88/34/41/568883441.db2.gz	XLQMBMSPQTWSMI-UHFFFAOYSA-N	-1	1	403.410	4.410	50	0		HIAAMM
O=C(Nc1ccc(Cl)cc1)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880160	568940962	/nfs/dbraw/zinc/94/09/62/568940962.db2.gz	GJXGIFCKSAHJSL-KRWDZBQOSA-N	-1	1	406.916	4.060	50	0		HIAAMM
O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)[C@H]1COc2ccccc2O1	ZINC000004088382	568941298	/nfs/dbraw/zinc/94/12/98/568941298.db2.gz	YBTYYMMJJMOTHB-LJQANCHMSA-N	-1	1	404.447	4.447	50	0		HIAAMM
O=C(Nc1nc2c(s1)CCCC2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000004270367	568956592	/nfs/dbraw/zinc/95/65/92/568956592.db2.gz	KLHRFEGWIFNCEN-UHFFFAOYSA-N	-1	1	413.524	4.075	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)n1	ZINC000008134306	568976556	/nfs/dbraw/zinc/97/65/56/568976556.db2.gz	XBEUKNGASZXHTE-UHFFFAOYSA-N	-1	1	403.529	4.155	50	0		HIAAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc2c1OCCO2	ZINC000085412010	568986138	/nfs/dbraw/zinc/98/61/38/568986138.db2.gz	HJGRAFKPFNKROI-LJQANCHMSA-N	-1	1	415.515	4.348	50	0		HIAAMM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)cc2)nn1	ZINC000015785241	569005309	/nfs/dbraw/zinc/00/53/09/569005309.db2.gz	YBHMXSVIAMSSKA-UHFFFAOYSA-N	-1	1	403.891	4.223	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)c(C)c1	ZINC000015870323	569017284	/nfs/dbraw/zinc/01/72/84/569017284.db2.gz	ARGSWVGJDLDBLK-UHFFFAOYSA-N	-1	1	403.529	4.308	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccccc1	ZINC000015882136	569018992	/nfs/dbraw/zinc/01/89/92/569018992.db2.gz	AHTGIDOAUCYMAV-UHFFFAOYSA-N	-1	1	408.527	4.325	50	0		HIAAMM
Cc1ccc(Nc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)nn1	ZINC000035597960	569045773	/nfs/dbraw/zinc/04/57/73/569045773.db2.gz	TUFWTTVYJOFLFG-UHFFFAOYSA-N	-1	1	408.405	4.348	50	0		HIAAMM
Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(F)cc2F)CC(=O)N3)cc1	ZINC000006748332	569108527	/nfs/dbraw/zinc/10/85/27/569108527.db2.gz	NULFSFRPMNECAC-HNNXBMFYSA-N	-1	1	413.449	4.123	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21	ZINC000064952116	569132604	/nfs/dbraw/zinc/13/26/04/569132604.db2.gz	PASOWISLDNFJDZ-UHFFFAOYSA-N	-1	1	414.911	4.129	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc21	ZINC000064952039	569132556	/nfs/dbraw/zinc/13/25/56/569132556.db2.gz	RSYPZCLQVICTMD-UHFFFAOYSA-N	-1	1	410.948	4.298	50	0		HIAAMM
COc1ccc2c(c1)n(Cc1cccc(F)c1)c(C(=O)[O-])c2CNCc1ccco1	ZINC000006901211	569177790	/nfs/dbraw/zinc/17/77/90/569177790.db2.gz	ZBOSRSHAIRDOTQ-UHFFFAOYSA-N	-1	1	408.429	4.418	50	0		HIAAMM
CCOc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[n-]3)c(C)o2)cc1OC	ZINC000016841816	569264628	/nfs/dbraw/zinc/26/46/28/569264628.db2.gz	DFTNYKCLCMTPRT-UHFFFAOYSA-N	-1	1	401.488	4.462	50	0		HIAAMM
COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000002315822	569373115	/nfs/dbraw/zinc/37/31/15/569373115.db2.gz	ZELDSMPPNQWOOQ-UHFFFAOYSA-N	-1	1	419.462	4.336	50	0		HIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)c(Cl)c1	ZINC000067298816	571072565	/nfs/dbraw/zinc/07/25/65/571072565.db2.gz	DMQYRXIIDKNASL-WGJYXZIMSA-N	-1	1	412.873	4.241	50	0		HIAAMM
O=c1cc2nc(-c3ccccc3)nc(SCc3cccc(Br)c3)n2[n-]1	ZINC000008603004	571090905	/nfs/dbraw/zinc/09/09/05/571090905.db2.gz	FJFYOIBMTBYERW-UHFFFAOYSA-N	-1	1	413.300	4.139	50	0		HIAAMM
Cc1cc(O)ccc1NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000008879744	571131193	/nfs/dbraw/zinc/13/11/93/571131193.db2.gz	WMTKVTFNTRLXDX-UHFFFAOYSA-N	-1	1	417.417	4.197	50	0		HIAAMM
Cc1cc(O)ccc1NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000008879744	571131195	/nfs/dbraw/zinc/13/11/95/571131195.db2.gz	WMTKVTFNTRLXDX-UHFFFAOYSA-N	-1	1	417.417	4.197	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)n1	ZINC000008943112	571169162	/nfs/dbraw/zinc/16/91/62/571169162.db2.gz	VRHVZOSOMAVTGD-UHFFFAOYSA-N	-1	1	418.519	4.295	50	0		HIAAMM
O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21	ZINC000008961191	571189428	/nfs/dbraw/zinc/18/94/28/571189428.db2.gz	QTJAPNSOVAWCGD-UHFFFAOYSA-N	-1	1	400.843	4.499	50	0		HIAAMM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3Cl)[nH]c2c1	ZINC000040156324	571203374	/nfs/dbraw/zinc/20/33/74/571203374.db2.gz	MVJCGUXADCZTFJ-UHFFFAOYSA-N	-1	1	402.863	4.289	50	0		HIAAMM
CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000009091417	571220464	/nfs/dbraw/zinc/22/04/64/571220464.db2.gz	ZTFMJCYLHZSSDH-UHFFFAOYSA-N	-1	1	418.902	4.092	50	0		HIAAMM
CN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O	ZINC000009165436	571232442	/nfs/dbraw/zinc/23/24/42/571232442.db2.gz	QGBWXFRFXNYVOY-UHFFFAOYSA-N	-1	1	416.543	4.166	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2OCC(C)(C)C1=O	ZINC000009167715	571233162	/nfs/dbraw/zinc/23/31/62/571233162.db2.gz	RVFIKWCGFPQARP-UHFFFAOYSA-N	-1	1	420.506	4.097	50	0		HIAAMM
CCc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n(C2CCCCC2)c1=O	ZINC000009183572	571234557	/nfs/dbraw/zinc/23/45/57/571234557.db2.gz	PXGRZXJPMBTLCU-UHFFFAOYSA-N	-1	1	401.532	4.056	50	0		HIAAMM
Cc1cc(C)cc(OCCSc2nc(-c3ccc(F)cc3)nc3cc(=O)[n-]n32)c1	ZINC000009641130	571275704	/nfs/dbraw/zinc/27/57/04/571275704.db2.gz	JSUWNKBGEFNSFV-UHFFFAOYSA-N	-1	1	410.474	4.012	50	0		HIAAMM
Cc1cccc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)c1C	ZINC000009641416	571275851	/nfs/dbraw/zinc/27/58/51/571275851.db2.gz	WQSGRVDWULZEAU-UHFFFAOYSA-N	-1	1	412.540	4.324	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1N(C)C	ZINC000009685721	571279949	/nfs/dbraw/zinc/27/99/49/571279949.db2.gz	QGXFWBPUEQOFMC-UHFFFAOYSA-N	-1	1	411.527	4.171	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCC3CCCC3)c2)cc1	ZINC000006177602	845180091	/nfs/dbraw/zinc/18/00/91/845180091.db2.gz	FYTQUQUORSIQDH-UHFFFAOYSA-N	-1	1	402.516	4.405	50	0		HIAAMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc21	ZINC000006893041	132319750	/nfs/dbraw/zinc/31/97/50/132319750.db2.gz	RVGNTPSKNCBXPW-LLVKDONJSA-N	-1	1	410.948	4.296	50	0		HIAAMM
CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccc(C)cc1	ZINC000032197449	522536339	/nfs/dbraw/zinc/53/63/39/522536339.db2.gz	DGLSSRRPUXNKJD-NRFANRHFSA-N	-1	1	409.511	4.072	50	0		HIAAMM
CCc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4OC)no3)n2)cc1	ZINC000040454484	523852078	/nfs/dbraw/zinc/85/20/78/523852078.db2.gz	NGEGSFFBPUBOLZ-UHFFFAOYSA-N	-1	1	420.494	4.350	50	0		HIAAMM
O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F	ZINC000040288188	526396502	/nfs/dbraw/zinc/39/65/02/526396502.db2.gz	GOFZMFLIECIFBA-GOSISDBHSA-N	-1	1	414.824	4.080	50	0		HIAAMM
CCOc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)cc1	ZINC000000876807	557108545	/nfs/dbraw/zinc/10/85/45/557108545.db2.gz	AFCFVKXYZASHKI-BZZOAKBMSA-N	-1	1	404.422	4.293	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)cc1	ZINC000001049601	557159036	/nfs/dbraw/zinc/15/90/36/557159036.db2.gz	GPHBSAYUVGPPSO-UHFFFAOYSA-N	-1	1	414.914	4.379	50	0		HIAAMM
COc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1NC(=O)c1ccccc1C	ZINC000001134609	557200482	/nfs/dbraw/zinc/20/04/82/557200482.db2.gz	BOIHTVNCAYBQMK-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CN(C(=O)COc1ccccc1)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000004016958	557505367	/nfs/dbraw/zinc/50/53/67/557505367.db2.gz	HQAGTEJQOVMWJI-UHFFFAOYSA-N	-1	1	407.310	4.041	50	0		HIAAMM
C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccn1	ZINC000010557649	557539609	/nfs/dbraw/zinc/53/96/09/557539609.db2.gz	XMUJPYNZVBNZGE-AWEZNQCLSA-N	-1	1	415.902	4.027	50	0		HIAAMM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000005260112	557642369	/nfs/dbraw/zinc/64/23/69/557642369.db2.gz	CHPKXEJWVKLUBD-UHFFFAOYSA-N	-1	1	405.111	4.321	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccccc1C(F)(F)F	ZINC000005942301	557681800	/nfs/dbraw/zinc/68/18/00/557681800.db2.gz	YIKXLTULCYLJPO-UHFFFAOYSA-N	-1	1	405.401	4.187	50	0		HIAAMM
O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1O	ZINC000013145968	558522931	/nfs/dbraw/zinc/52/29/31/558522931.db2.gz	CYHIODSQJIJZQD-UHFFFAOYSA-N	-1	1	419.842	4.337	50	0		HIAAMM
CC[C@@H](C)c1c([O-])nc(SCC(=O)Nc2ccccc2C)n([C@@H](C)CC)c1=O	ZINC000013957259	558607762	/nfs/dbraw/zinc/60/77/62/558607762.db2.gz	GCLGXIOSTQQXLE-HIFRSBDPSA-N	-1	1	403.548	4.473	50	0		HIAAMM
O=C(CCc1ccco1)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000030121233	558727239	/nfs/dbraw/zinc/72/72/39/558727239.db2.gz	JLGKRZTXBXQTIX-UHFFFAOYSA-N	-1	1	404.875	4.305	50	0		HIAAMM
O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCc2ccccc21	ZINC000015563524	558743916	/nfs/dbraw/zinc/74/39/16/558743916.db2.gz	PZBSHXCQNGKGPC-UHFFFAOYSA-N	-1	1	412.898	4.344	50	0		HIAAMM
CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)c3cccc(Cl)c3)nc(=O)c2c1C	ZINC000016051190	558770937	/nfs/dbraw/zinc/77/09/37/558770937.db2.gz	LQJNDPSQSSSJIR-JTQLQIEISA-N	-1	1	420.874	4.041	50	0		HIAAMM
CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1	ZINC000033007538	558828287	/nfs/dbraw/zinc/82/82/87/558828287.db2.gz	SMLSUBUZFNJBCO-UHFFFAOYSA-N	-1	1	415.540	4.324	50	0		HIAAMM
CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2s1	ZINC000033007561	558828528	/nfs/dbraw/zinc/82/85/28/558828528.db2.gz	SHUQTZGDVFPTJQ-UHFFFAOYSA-N	-1	1	409.920	4.407	50	0		HIAAMM
CCCc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(OC)c2)cc1	ZINC000033007912	558828674	/nfs/dbraw/zinc/82/86/74/558828674.db2.gz	VFOPWYIVIHQVKP-UHFFFAOYSA-N	-1	1	419.528	4.017	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1-c1noc(C(C)(C)C)n1	ZINC000033013386	558832839	/nfs/dbraw/zinc/83/28/39/558832839.db2.gz	DZUZIRCGLWXPBM-UHFFFAOYSA-N	-1	1	401.488	4.152	50	0		HIAAMM
O=S(=O)([N-]c1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(F)c(F)c1	ZINC000033116573	558877915	/nfs/dbraw/zinc/87/79/15/558877915.db2.gz	HBWQOXXVEBRJTN-UHFFFAOYSA-N	-1	1	413.449	4.427	50	0		HIAAMM
Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1NC(=O)C1CC1	ZINC000033171166	558900016	/nfs/dbraw/zinc/90/00/16/558900016.db2.gz	PZEDAOYCPAORHP-ZROIWOOFSA-N	-1	1	423.494	4.303	50	0		HIAAMM
O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784949	558949919	/nfs/dbraw/zinc/94/99/19/558949919.db2.gz	VOBNDDBYQXUVIZ-CYBMUJFWSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccc(F)cc1	ZINC000033276520	559036173	/nfs/dbraw/zinc/03/61/73/559036173.db2.gz	FFVHUMPNSPNNBU-UHFFFAOYSA-N	-1	1	413.405	4.483	50	0		HIAAMM
COc1cc(OC)c(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1Cl	ZINC000011603679	559113172	/nfs/dbraw/zinc/11/31/72/559113172.db2.gz	VZEWJRGCLVZCJJ-UHFFFAOYSA-N	-1	1	418.906	4.225	50	0		HIAAMM
COc1ccc(-n2c3ccccc3nc2SCC(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000004829945	559157025	/nfs/dbraw/zinc/15/70/25/559157025.db2.gz	QMSSTTWUERXOKJ-UHFFFAOYSA-N	-1	1	417.490	4.083	50	0		HIAAMM
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([O-])cc3O)c3c(C)noc3n2)s1	ZINC000011959123	559269266	/nfs/dbraw/zinc/26/92/66/559269266.db2.gz	OCFFXWCLTHKPCL-UHFFFAOYSA-N	-1	1	424.434	4.019	50	0		HIAAMM
Cc1nc2[n-]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1Cc1ccccc1	ZINC000018220019	560784582	/nfs/dbraw/zinc/78/45/82/560784582.db2.gz	WVAKALSAFFNPPY-UHFFFAOYSA-N	-1	1	415.497	4.279	50	0	aggregator	HIAAMM
CCCCc1c(C)nc2[n-]c(N(Cc3ccccc3)C(=O)C3CCCCC3)nn2c1=O	ZINC000101861324	560804111	/nfs/dbraw/zinc/80/41/11/560804111.db2.gz	BUYMJKQAAQRQCF-UHFFFAOYSA-N	-1	1	421.545	4.182	50	0		HIAAMM
CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1	ZINC000095459308	568619511	/nfs/dbraw/zinc/61/95/11/568619511.db2.gz	ZCNSIVDVSGWVRJ-CRAIPNDOSA-N	-1	1	404.507	4.338	50	0		HIAAMM
O=C([N-]c1nnc(C2CC2)s1)c1cc(Br)c(Br)s1	ZINC000021291802	568686986	/nfs/dbraw/zinc/68/69/86/568686986.db2.gz	AJKVFXHBWUKWOL-UHFFFAOYSA-N	-1	1	409.128	4.254	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000238900279	568727085	/nfs/dbraw/zinc/72/70/85/568727085.db2.gz	IMBZULOOGXFZSO-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cn1	ZINC000025123510	568750571	/nfs/dbraw/zinc/75/05/71/568750571.db2.gz	NXDYFPYARBLIOS-UHFFFAOYSA-N	-1	1	415.902	4.405	50	0		HIAAMM
CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c1	ZINC000086057076	568753801	/nfs/dbraw/zinc/75/38/01/568753801.db2.gz	KCEPSWZSTSPESV-GOSISDBHSA-N	-1	1	421.522	4.243	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@H]1c1ccccc1C(F)(F)F	ZINC000000973555	568759336	/nfs/dbraw/zinc/75/93/36/568759336.db2.gz	JPBNPJKPSANFNL-LBPRGKRZSA-N	-1	1	411.405	4.258	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c1C	ZINC000022095410	568764790	/nfs/dbraw/zinc/76/47/90/568764790.db2.gz	SABATLFLRRLHOL-UHFFFAOYSA-N	-1	1	402.545	4.001	50	0		HIAAMM
Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1F	ZINC000012488957	568838841	/nfs/dbraw/zinc/83/88/41/568838841.db2.gz	BQWPXPHJSDROEP-UHFFFAOYSA-N	-1	1	416.449	4.004	50	0		HIAAMM
Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000012508579	568840101	/nfs/dbraw/zinc/84/01/01/568840101.db2.gz	HQXLAICZIDOXHW-UHFFFAOYSA-N	-1	1	415.327	4.074	50	0		HIAAMM
CCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1	ZINC000012552266	568854172	/nfs/dbraw/zinc/85/41/72/568854172.db2.gz	CMVISQGDNNCULL-UHFFFAOYSA-N	-1	1	424.478	4.031	50	0		HIAAMM
CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1	ZINC000012605105	568870814	/nfs/dbraw/zinc/87/08/14/568870814.db2.gz	QNUKINCCDPAEBZ-UHFFFAOYSA-N	-1	1	402.422	4.042	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1C	ZINC000003446334	568904662	/nfs/dbraw/zinc/90/46/62/568904662.db2.gz	SLLGYFGFKUDNOT-UHFFFAOYSA-N	-1	1	412.486	4.173	50	0		HIAAMM
O=C(Nc1nccs1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000031534936	568927689	/nfs/dbraw/zinc/92/76/89/568927689.db2.gz	VORNCMHFWUCYGO-UHFFFAOYSA-N	-1	1	413.524	4.075	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)CCCC2	ZINC000004249104	568954011	/nfs/dbraw/zinc/95/40/11/568954011.db2.gz	DSZZOBHXMRCTIE-UHFFFAOYSA-N	-1	1	411.552	4.335	50	0		HIAAMM
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1	ZINC000007986234	568964675	/nfs/dbraw/zinc/96/46/75/568964675.db2.gz	FIQDMNFFHYPKOX-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc2c1OCO2	ZINC000085411976	568986008	/nfs/dbraw/zinc/98/60/08/568986008.db2.gz	IJCJIJCDRBYSMA-GOSISDBHSA-N	-1	1	401.488	4.305	50	0		HIAAMM
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc2c1OCCO2	ZINC000085412004	568986054	/nfs/dbraw/zinc/98/60/54/568986054.db2.gz	HJGRAFKPFNKROI-IBGZPJMESA-N	-1	1	415.515	4.348	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCc3ccccc3)c2)cc1	ZINC000008289542	568987865	/nfs/dbraw/zinc/98/78/65/568987865.db2.gz	LJOCQSKCOSXHIH-UHFFFAOYSA-N	-1	1	410.495	4.067	50	0		HIAAMM
C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1	ZINC000012820967	569004884	/nfs/dbraw/zinc/00/48/84/569004884.db2.gz	XWZYTFKFHSLZHG-GASCZTMLSA-N	-1	1	406.935	4.259	50	0		HIAAMM
Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1	ZINC000085651104	569005831	/nfs/dbraw/zinc/00/58/31/569005831.db2.gz	WFOIWOGIYSSPOI-UHFFFAOYSA-N	-1	1	404.391	4.411	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1F	ZINC000085664759	569006681	/nfs/dbraw/zinc/00/66/81/569006681.db2.gz	UTNRQHOAHVAYDX-UHFFFAOYSA-N	-1	1	405.398	4.405	50	0		HIAAMM
CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1	ZINC000015870034	569017186	/nfs/dbraw/zinc/01/71/86/569017186.db2.gz	OOZGGAZJSDUFAJ-UHFFFAOYSA-N	-1	1	415.540	4.324	50	0		HIAAMM
CCc1ccccc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C(C)C)nc2c1	ZINC000015870356	569017210	/nfs/dbraw/zinc/01/72/10/569017210.db2.gz	JMUAPIJZKBYTIP-UHFFFAOYSA-N	-1	1	403.529	4.254	50	0		HIAAMM
Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000015895860	569019998	/nfs/dbraw/zinc/01/99/98/569019998.db2.gz	WPIDDPBOKCDXEN-MLGOLLRUSA-N	-1	1	423.332	4.153	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1cccnc1	ZINC000524729552	569051656	/nfs/dbraw/zinc/05/16/56/569051656.db2.gz	YFWDUJQHZZFDPS-OAHLLOKOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1	ZINC000006623394	569075098	/nfs/dbraw/zinc/07/50/98/569075098.db2.gz	IOHYOUJXQJHOTA-UHFFFAOYSA-N	-1	1	408.479	4.251	50	0		HIAAMM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc2N1C(=O)C1CCC1	ZINC000006935355	569186120	/nfs/dbraw/zinc/18/61/20/569186120.db2.gz	QQPQUGIQYWSSIW-INIZCTEOSA-N	-1	1	424.566	4.444	50	0		HIAAMM
CSc1ccc(-c2noc(CSc3nc(-c4ccccn4)cc(=O)[n-]3)n2)cc1	ZINC000065330943	569225096	/nfs/dbraw/zinc/22/50/96/569225096.db2.gz	RBEYYKLPHJXMBI-UHFFFAOYSA-N	-1	1	409.496	4.308	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccc(C)o1	ZINC000089652581	569261924	/nfs/dbraw/zinc/26/19/24/569261924.db2.gz	YCFIPGRMVJFEAY-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252485375	569289142	/nfs/dbraw/zinc/28/91/42/569289142.db2.gz	GSPCANKEUSUJEJ-OAQYLSRUSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1nnc(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])[nH]1	ZINC000006588304	569333482	/nfs/dbraw/zinc/33/34/82/569333482.db2.gz	KZPLKQATHMWMSX-AUWJEWJLSA-N	-1	1	406.807	4.153	50	0		HIAAMM
Cc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000006588304	569333483	/nfs/dbraw/zinc/33/34/83/569333483.db2.gz	KZPLKQATHMWMSX-AUWJEWJLSA-N	-1	1	406.807	4.153	50	0		HIAAMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c1	ZINC000013357895	569411539	/nfs/dbraw/zinc/41/15/39/569411539.db2.gz	YNNPEBCDTBPPQJ-UHFFFAOYSA-N	-1	1	416.524	4.404	50	0		HIAAMM
COc1cn(-c2ccccc2)nc1C(=O)Nc1c([O-])cc(Br)cc1Cl	ZINC000328596741	569416111	/nfs/dbraw/zinc/41/61/11/569416111.db2.gz	XGTGILSYZYHELC-UHFFFAOYSA-N	-1	1	422.666	4.255	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1F	ZINC000067294432	571070132	/nfs/dbraw/zinc/07/01/32/571070132.db2.gz	JKFJTBOQYGVVHV-RWEWTDSWSA-N	-1	1	419.412	4.474	50	0		HIAAMM
Cc1cccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)c1C	ZINC000039403997	571132091	/nfs/dbraw/zinc/13/20/91/571132091.db2.gz	LJPWEUSWZSQFIA-UHFFFAOYSA-N	-1	1	404.518	4.132	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2OCC(C)(C)C1=O	ZINC000009166383	571232700	/nfs/dbraw/zinc/23/27/00/571232700.db2.gz	QHWFYYIDUAHXTH-UHFFFAOYSA-N	-1	1	424.522	4.412	50	0		HIAAMM
CC(C)CN1c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2OCC(C)(C)C1=O	ZINC000009172628	571234145	/nfs/dbraw/zinc/23/41/45/571234145.db2.gz	GIYQTMGWQDMGTB-UHFFFAOYSA-N	-1	1	420.506	4.034	50	0		HIAAMM
CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1	ZINC000009356419	571251075	/nfs/dbraw/zinc/25/10/75/571251075.db2.gz	ZIZOUKCEGMMDAM-UHFFFAOYSA-N	-1	1	423.494	4.007	50	0		HIAAMM
Cc1c(Cl)cccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000009597746	571272517	/nfs/dbraw/zinc/27/25/17/571272517.db2.gz	ZAZGGGVRJCTXLW-SFHVURJKSA-N	-1	1	420.943	4.368	50	0		HIAAMM
O=c1cc2nc(-c3ccccc3F)nc(SCCOc3ccccc3Cl)n2[n-]1	ZINC000009640955	571275759	/nfs/dbraw/zinc/27/57/59/571275759.db2.gz	DHMLBLLOZMBENW-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
C[C@H](CCc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010314559	571300130	/nfs/dbraw/zinc/30/01/30/571300130.db2.gz	WPYZUGKKRAGRPX-GOSISDBHSA-N	-1	1	408.523	4.239	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1	ZINC000017051020	132464976	/nfs/dbraw/zinc/46/49/76/132464976.db2.gz	MXYCBFCBWJKQDR-UHFFFAOYSA-N	-1	1	406.507	4.389	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc(OC)c1	ZINC000020580466	522752228	/nfs/dbraw/zinc/75/22/28/522752228.db2.gz	ATPOCQWQXLAQSU-UHFFFAOYSA-N	-1	1	402.472	4.085	50	0		HIAAMM
Cc1cccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000032930130	524719251	/nfs/dbraw/zinc/71/92/51/524719251.db2.gz	HDELUMRSFDSELU-UHFFFAOYSA-N	-1	1	410.495	4.122	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1	ZINC000020554797	525613335	/nfs/dbraw/zinc/61/33/35/525613335.db2.gz	JCGUNPFXMFIOGC-UHFFFAOYSA-N	-1	1	422.554	4.489	50	0		HIAAMM
O=C([O-])c1ccc(N2CCCCCC2)c(NS(=O)(=O)c2ccccc2Cl)c1	ZINC000032971122	526373016	/nfs/dbraw/zinc/37/30/16/526373016.db2.gz	TWMDGMPKBCYOMT-UHFFFAOYSA-N	-1	1	408.907	4.219	50	0		HIAAMM
O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2F)c1	ZINC000040288552	526392012	/nfs/dbraw/zinc/39/20/12/526392012.db2.gz	UWVFASWIZXJIHG-SFHVURJKSA-N	-1	1	414.824	4.080	50	0		HIAAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1	ZINC000032898970	526703430	/nfs/dbraw/zinc/70/34/30/526703430.db2.gz	HYNGSEIBUGKAED-UHFFFAOYSA-N	-1	1	411.457	4.339	50	0		HIAAMM
CCOc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccccn1	ZINC000000876721	557108158	/nfs/dbraw/zinc/10/81/58/557108158.db2.gz	QOAKGLNHRXAKRY-BZZOAKBMSA-N	-1	1	401.422	4.417	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1	ZINC000001006534	557141207	/nfs/dbraw/zinc/14/12/07/557141207.db2.gz	NCXYGHGACFJUIZ-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)c1	ZINC000001079257	557175285	/nfs/dbraw/zinc/17/52/85/557175285.db2.gz	WQYFELXMGCFICI-UHFFFAOYSA-N	-1	1	422.550	4.385	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1	ZINC000001159466	557217332	/nfs/dbraw/zinc/21/73/32/557217332.db2.gz	ZJMJABSGCHWJDD-UHFFFAOYSA-N	-1	1	412.536	4.139	50	0		HIAAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1	ZINC000002841353	557401063	/nfs/dbraw/zinc/40/10/63/557401063.db2.gz	LZPPINOBGFJKSS-UHFFFAOYSA-N	-1	1	401.269	4.215	50	0		HIAAMM
Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Br	ZINC000003991769	557504295	/nfs/dbraw/zinc/50/42/95/557504295.db2.gz	KFBOTNRVDJZFTE-UHFFFAOYSA-N	-1	1	405.111	4.321	50	0		HIAAMM
Cc1n[nH]cc1[C@H](c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1	ZINC000004844758	557605309	/nfs/dbraw/zinc/60/53/09/557605309.db2.gz	ZTGBPDYWVQFLKR-OAQYLSRUSA-N	-1	1	402.454	4.163	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cccc(C(F)(F)F)c1	ZINC000005045349	557629350	/nfs/dbraw/zinc/62/93/50/557629350.db2.gz	KMPGZEWNMDVPEB-UHFFFAOYSA-N	-1	1	405.401	4.187	50	0		HIAAMM
CCOC(=O)CSc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2	ZINC000009301207	557835267	/nfs/dbraw/zinc/83/52/67/557835267.db2.gz	ZJORVAHTBUQMKJ-QHCPKHFHSA-N	-1	1	412.555	4.486	50	0		HIAAMM
C[C@H]1Cn2c(nnc2-c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)S1	ZINC000009526090	557845078	/nfs/dbraw/zinc/84/50/78/557845078.db2.gz	SGBFLIGKAVBUPK-AWEZNQCLSA-N	-1	1	422.535	4.393	50	0		HIAAMM
O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@@H]1Cc1ccccc1	ZINC000023055282	558532327	/nfs/dbraw/zinc/53/23/27/558532327.db2.gz	KHGJAUSGSAPERT-JOCHJYFZSA-N	-1	1	420.534	4.335	50	0		HIAAMM
CC1(C)C[C@@]2(C[C@@H](c3ccccc3F)c3cc(Cl)c([O-])cc3O2)NC(=S)N1	ZINC000013521686	558536497	/nfs/dbraw/zinc/53/64/97/558536497.db2.gz	LDMMFURXYJLEFT-RBZFPXEDSA-N	-1	1	406.910	4.442	50	0		HIAAMM
Cc1ccc(C(=O)N(C)Cc2ccsc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000023957871	558582853	/nfs/dbraw/zinc/58/28/53/558582853.db2.gz	DXUHBXLEMVUAIK-UHFFFAOYSA-N	-1	1	418.515	4.269	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1	ZINC000024748508	558610061	/nfs/dbraw/zinc/61/00/61/558610061.db2.gz	YFKFDLMVYPASAI-UHFFFAOYSA-N	-1	1	420.897	4.265	50	0		HIAAMM
O=C(Nc1ccc(F)cc1)C(=Cc1ccc(-c2ccccc2Cl)o1)c1nn[n-]n1	ZINC000027562032	558675057	/nfs/dbraw/zinc/67/50/57/558675057.db2.gz	ADEBASHHOLJASZ-LFIBNONCSA-N	-1	1	409.808	4.432	50	0		HIAAMM
CCc1cc2c([n-]c(=S)n(NC(=O)c3csc4c3CC[C@H](C)C4)c2=O)s1	ZINC000017083251	558815735	/nfs/dbraw/zinc/81/57/35/558815735.db2.gz	AYWWYDXVLGJSRO-VIFPVBQESA-N	-1	1	405.570	4.253	50	0		HIAAMM
O=c1nc(N2CCN(c3ccccc3)CC2)[n-]c2c(-c3ccc(F)cc3)csc21	ZINC000049421039	558849079	/nfs/dbraw/zinc/84/90/79/558849079.db2.gz	XJMNNOYNPPXMCH-UHFFFAOYSA-N	-1	1	406.486	4.117	50	0		HIAAMM
O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)on2)o1	ZINC000033263876	558961520	/nfs/dbraw/zinc/96/15/20/558961520.db2.gz	VPCBNGKGYUSGKI-UHFFFAOYSA-N	-1	1	406.769	4.085	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCc1cccs1	ZINC000023138232	559019665	/nfs/dbraw/zinc/01/96/65/559019665.db2.gz	DAUOYQUUERYTPD-UHFFFAOYSA-N	-1	1	405.932	4.048	50	0		HIAAMM
CCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)cc21	ZINC000004735787	559034971	/nfs/dbraw/zinc/03/49/71/559034971.db2.gz	OTDPOCIMFFQARV-UHFFFAOYSA-N	-1	1	403.456	4.036	50	0		HIAAMM
CCCc1noc(CCCC(=O)Nc2c([O-])cc(Br)cc2Cl)n1	ZINC000408516499	559212864	/nfs/dbraw/zinc/21/28/64/559212864.db2.gz	AATAEBBQWZPOBK-UHFFFAOYSA-N	-1	1	402.676	4.105	50	0		HIAAMM
CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000005523713	560627047	/nfs/dbraw/zinc/62/70/47/560627047.db2.gz	MGBPJXWFGTWJEX-UHFFFAOYSA-N	-1	1	414.449	4.426	50	0		HIAAMM
CCc1ccc(-n2nc3c4cc(C(=O)N5CCCCC5)ccc4[n-]cc-3c2=O)cc1	ZINC000101282419	560790517	/nfs/dbraw/zinc/79/05/17/560790517.db2.gz	LVMFYTKVVKTZNC-UHFFFAOYSA-N	-1	1	400.482	4.007	50	0		HIAAMM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)[nH]c1=S	ZINC000101767074	560799821	/nfs/dbraw/zinc/79/98/21/560799821.db2.gz	QEDCZJHXAQBNJR-MRXNPFEDSA-N	-1	1	411.508	4.212	50	0		HIAAMM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)[nH]c1=S	ZINC000101767069	560799831	/nfs/dbraw/zinc/79/98/31/560799831.db2.gz	QEDCZJHXAQBNJR-INIZCTEOSA-N	-1	1	411.508	4.212	50	0		HIAAMM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=S	ZINC000101767058	560799861	/nfs/dbraw/zinc/79/98/61/560799861.db2.gz	BUQQTQJLYNAOFN-MRXNPFEDSA-N	-1	1	411.508	4.212	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCCC[C@H]5C)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827838	560802670	/nfs/dbraw/zinc/80/26/70/560802670.db2.gz	MDSNINONGGOTOR-QGZVFWFLSA-N	-1	1	414.509	4.450	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCC[C@H](C)C5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101827862	560802680	/nfs/dbraw/zinc/80/26/80/560802680.db2.gz	JSVGWIWVQCSZIM-HNNXBMFYSA-N	-1	1	414.509	4.308	50	0		HIAAMM
CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nc(C)n1	ZINC000012226346	560894581	/nfs/dbraw/zinc/89/45/81/560894581.db2.gz	XRHIVUQTTFDAJT-UHFFFAOYSA-N	-1	1	418.906	4.382	50	0		HIAAMM
O=C1C[C@@H](c2ccc(O)cc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096115303	568694907	/nfs/dbraw/zinc/69/49/07/568694907.db2.gz	LFAOVOWVPYUQJP-INIZCTEOSA-N	-1	1	416.385	4.018	50	0		HIAAMM
O=c1cc2c(c3occ(-c4ccc(O)cc4)c([O-])c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096115303	568694911	/nfs/dbraw/zinc/69/49/11/568694911.db2.gz	LFAOVOWVPYUQJP-INIZCTEOSA-N	-1	1	416.385	4.018	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCOc2cccc(C)c2)cc1	ZINC000012397760	568698365	/nfs/dbraw/zinc/69/83/65/568698365.db2.gz	SYNBGPMEFLEUSC-UHFFFAOYSA-N	-1	1	410.543	4.200	50	0		HIAAMM
O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)[n-]1	ZINC000012414998	568717257	/nfs/dbraw/zinc/71/72/57/568717257.db2.gz	OYNABZKNRHWKND-UHFFFAOYSA-N	-1	1	424.413	4.059	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c(C)c1	ZINC000015354274	568878699	/nfs/dbraw/zinc/87/86/99/568878699.db2.gz	KWVLFRSZQMXATB-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1	ZINC000003334161	568882446	/nfs/dbraw/zinc/88/24/46/568882446.db2.gz	VQKGAPRYOPSSQV-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
COc1cc2c(cc1NC(=O)Cc1sc(N3CCCC3)nc1[O-])oc1ccccc12	ZINC000003433363	568902273	/nfs/dbraw/zinc/90/22/73/568902273.db2.gz	FQDQUDXZLWXHFP-LJQANCHMSA-N	-1	1	423.494	4.017	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)c1C	ZINC000003446380	568904753	/nfs/dbraw/zinc/90/47/53/568904753.db2.gz	RLEQQCVDLDGODH-UHFFFAOYSA-N	-1	1	412.486	4.173	50	0		HIAAMM
CCc1c([N-]S(=O)(=O)c2cccs2)n[nH]c1-c1ccc(Br)cc1	ZINC000083817680	568917699	/nfs/dbraw/zinc/91/76/99/568917699.db2.gz	QZVMDFLAUWMZKD-UHFFFAOYSA-N	-1	1	412.334	4.264	50	0		HIAAMM
CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)[n-]1	ZINC000012811301	568985442	/nfs/dbraw/zinc/98/54/42/568985442.db2.gz	SAVMJLTWQPLXGT-UHFFFAOYSA-N	-1	1	420.947	4.148	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1	ZINC000011902871	568987114	/nfs/dbraw/zinc/98/71/14/568987114.db2.gz	IIJCPQZSJRXBAA-UHFFFAOYSA-N	-1	1	407.539	4.044	50	0		HIAAMM
CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1sccc1C	ZINC000008346002	568994612	/nfs/dbraw/zinc/99/46/12/568994612.db2.gz	VMPSKLZUVFEOTA-CQSZACIVSA-N	-1	1	419.572	4.282	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccccc3CC)ccc2s1	ZINC000015870441	569017224	/nfs/dbraw/zinc/01/72/24/569017224.db2.gz	QTHQRCYHPCKTBG-UHFFFAOYSA-N	-1	1	403.529	4.398	50	0		HIAAMM
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000016047993	569028431	/nfs/dbraw/zinc/02/84/31/569028431.db2.gz	MFEFBXNQINXERG-UHFFFAOYSA-N	-1	1	424.503	4.081	50	0		HIAAMM
COc1cccc(/C=C/C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000040106668	569048066	/nfs/dbraw/zinc/04/80/66/569048066.db2.gz	JYMCPZRJVSPGQH-WYMLVPIESA-N	-1	1	422.506	4.456	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1	ZINC000013001822	569049252	/nfs/dbraw/zinc/04/92/52/569049252.db2.gz	PESUYLFJWIZSAE-ZDUSSCGKSA-N	-1	1	402.470	4.462	50	0		HIAAMM
Cc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000064557732	569066831	/nfs/dbraw/zinc/06/68/31/569066831.db2.gz	HGBDRMAIKVJNLF-FQEVSTJZSA-N	-1	1	405.475	4.326	50	0		HIAAMM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c(C)s2)no1	ZINC000064844607	569107855	/nfs/dbraw/zinc/10/78/55/569107855.db2.gz	DTXSCPXMAMYQBE-UHFFFAOYSA-N	-1	1	419.406	4.114	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc21	ZINC000064952040	569132532	/nfs/dbraw/zinc/13/25/32/569132532.db2.gz	GIWAGVYXBUWOOP-UHFFFAOYSA-N	-1	1	410.948	4.298	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000065115761	569179607	/nfs/dbraw/zinc/17/96/07/569179607.db2.gz	PZXXVHSTFIHWKY-UHFFFAOYSA-N	-1	1	413.499	4.334	50	0		HIAAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(S(C)(=O)=O)cc2)S1	ZINC000071288414	569252351	/nfs/dbraw/zinc/25/23/51/569252351.db2.gz	PQPBXYZTZZMKSX-SFHVURJKSA-N	-1	1	419.572	4.361	50	0		HIAAMM
Cc1ccc(C(=O)NC(=Cc2cccc(Br)c2)c2n[n-]c(=S)[nH]2)cc1	ZINC000013370433	569255317	/nfs/dbraw/zinc/25/53/17/569255317.db2.gz	ADRUVRGDVOCTST-GDNBJRDFSA-N	-1	1	415.316	4.466	50	0		HIAAMM
CC[C@H](CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1)c1ccccc1	ZINC000014249179	569259137	/nfs/dbraw/zinc/25/91/37/569259137.db2.gz	CDZQESWNOJAQNI-MRXNPFEDSA-N	-1	1	410.543	4.316	50	0		HIAAMM
CCOc1ccc(-c2nc(CSc3nc4c(c(=O)[n-]3)CCC4)c(C)o2)cc1OC	ZINC000016840818	569264368	/nfs/dbraw/zinc/26/43/68/569264368.db2.gz	KGXRZVHTYLNVQW-UHFFFAOYSA-N	-1	1	413.499	4.334	50	0		HIAAMM
COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)c1	ZINC000002255812	569326270	/nfs/dbraw/zinc/32/62/70/569326270.db2.gz	ZVJNOAQGLLHHLQ-UHFFFAOYSA-N	-1	1	419.462	4.336	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3C)c2)C[C@H]1c1ccco1	ZINC000253427606	569368471	/nfs/dbraw/zinc/36/84/71/569368471.db2.gz	NHXRTPBPYXBQDG-FQEVSTJZSA-N	-1	1	423.494	4.086	50	0		HIAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1	ZINC000013358171	569411576	/nfs/dbraw/zinc/41/15/76/569411576.db2.gz	YZAZIAYBQPRDTG-UHFFFAOYSA-N	-1	1	402.497	4.014	50	0		HIAAMM
COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc(OC)c1	ZINC000067293231	571069031	/nfs/dbraw/zinc/06/90/31/571069031.db2.gz	YMBWHENQTVKDDC-BZZOAKBMSA-N	-1	1	417.421	4.035	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)cc1Cl	ZINC000067298667	571072570	/nfs/dbraw/zinc/07/25/70/571072570.db2.gz	ZXYAHGDQNLLYKM-RPKJYVOXSA-N	-1	1	416.836	4.072	50	0		HIAAMM
Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl	ZINC000067298824	571072577	/nfs/dbraw/zinc/07/25/77/571072577.db2.gz	STGZULJCXOUULY-JUZPYSENSA-N	-1	1	412.873	4.241	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)n1	ZINC000008724489	571107718	/nfs/dbraw/zinc/10/77/18/571107718.db2.gz	FVQSHXXOFOKOQB-UHFFFAOYSA-N	-1	1	409.471	4.028	50	0		HIAAMM
Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000040106672	571167078	/nfs/dbraw/zinc/16/70/78/571167078.db2.gz	JAYVBKSCZKVWSV-UHFFFAOYSA-N	-1	1	402.422	4.326	50	0		HIAAMM
O=C(CCCOc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000040106651	571167165	/nfs/dbraw/zinc/16/71/65/571167165.db2.gz	MLKJDVFJVLVCHS-UHFFFAOYSA-N	-1	1	410.495	4.285	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCOc2c(C)cccc2C)cc1	ZINC000040113819	571171579	/nfs/dbraw/zinc/17/15/79/571171579.db2.gz	HJYCIJPLJIUZLQ-UHFFFAOYSA-N	-1	1	410.543	4.118	50	0		HIAAMM
CCN1c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc2OCC(C)(C)C1=O	ZINC000009170822	571233807	/nfs/dbraw/zinc/23/38/07/571233807.db2.gz	VWEJNAGRMAFYKE-UHFFFAOYSA-N	-1	1	422.934	4.221	50	0		HIAAMM
CCOc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)c1O	ZINC000009290408	571245500	/nfs/dbraw/zinc/24/55/00/571245500.db2.gz	NJCGXMZTLMJQHL-UHFFFAOYSA-N	-1	1	415.243	4.000	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(Cc3cccs3)n2)cc1)c1ccc(F)cc1	ZINC000033122964	571315869	/nfs/dbraw/zinc/31/58/69/571315869.db2.gz	VYNXAUJVBOVCSK-UHFFFAOYSA-N	-1	1	415.471	4.329	50	0		HIAAMM
CCCCCn1c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21	ZINC000005826143	845144624	/nfs/dbraw/zinc/14/46/24/845144624.db2.gz	DVQMBZIIODYLEM-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
CCCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)c2ccccc21	ZINC000005898112	845151046	/nfs/dbraw/zinc/15/10/46/845151046.db2.gz	LYIZUMXDNXTURC-UHFFFAOYSA-N	-1	1	422.481	4.326	50	0		HIAAMM
COc1cc(F)c([N-]S(=O)(=O)/C(Cl)=C(/Cl)c2ccccc2)cc1OC	ZINC000253426965	854205835	/nfs/dbraw/zinc/20/58/35/854205835.db2.gz	SZNUJALNUCFYBO-FOCLMDBBSA-N	-1	1	406.262	4.389	50	0		HIAAMM
O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21	ZINC000005099624	132301153	/nfs/dbraw/zinc/30/11/53/132301153.db2.gz	ZHAXVJWJWVERAQ-UHFFFAOYSA-N	-1	1	416.499	4.281	50	0		HIAAMM
O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21	ZINC000005136550	132302756	/nfs/dbraw/zinc/30/27/56/132302756.db2.gz	CBYVVBSCNLECGC-UHFFFAOYSA-N	-1	1	416.499	4.281	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1	ZINC000011612421	132348350	/nfs/dbraw/zinc/34/83/50/132348350.db2.gz	GQMCETTZVOKPFY-UHFFFAOYSA-N	-1	1	406.507	4.389	50	0		HIAAMM
CC(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1	ZINC000032588522	519842373	/nfs/dbraw/zinc/84/23/73/519842373.db2.gz	XGVFHGJJACBHSH-UHFFFAOYSA-N	-1	1	404.307	4.133	50	0		HIAAMM
Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccccc5)c4[n-]3)CC2)c1	ZINC000044169294	524562667	/nfs/dbraw/zinc/56/26/67/524562667.db2.gz	FGDOGQRDZAXDKL-UHFFFAOYSA-N	-1	1	402.523	4.287	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1OC	ZINC000020580422	524686769	/nfs/dbraw/zinc/68/67/69/524686769.db2.gz	DPMIAWACJSWPBY-UHFFFAOYSA-N	-1	1	402.472	4.085	50	0		HIAAMM
COc1ccccc1[C@H](C)N(C)C(=O)CCn1c(=S)[n-]nc1-c1cccs1	ZINC000032460735	524770253	/nfs/dbraw/zinc/77/02/53/524770253.db2.gz	UPGFBEGONFDXLL-ZDUSSCGKSA-N	-1	1	402.545	4.287	50	0		HIAAMM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccn3)cc2)c1C	ZINC000000631001	557026513	/nfs/dbraw/zinc/02/65/13/557026513.db2.gz	IIDCKYCYHXLPEK-UHFFFAOYSA-N	-1	1	423.538	4.046	50	0		HIAAMM
Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1	ZINC000000674189	557051003	/nfs/dbraw/zinc/05/10/03/557051003.db2.gz	SFWYDWYLWJCFMY-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
CCOc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000000683282	557057062	/nfs/dbraw/zinc/05/70/62/557057062.db2.gz	GGVXYVABZZJFMY-UHFFFAOYSA-N	-1	1	410.495	4.447	50	0		HIAAMM
COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21	ZINC000000912881	557116954	/nfs/dbraw/zinc/11/69/54/557116954.db2.gz	OWVRQBVJCCQJFB-UHFFFAOYSA-N	-1	1	424.272	4.091	50	0		HIAAMM
O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000000991291	557134780	/nfs/dbraw/zinc/13/47/80/557134780.db2.gz	JCVBPWSYZLQWJH-UJKMTWAASA-N	-1	1	401.849	4.442	50	0		HIAAMM
CCc1ccc(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000000992930	557135700	/nfs/dbraw/zinc/13/57/00/557135700.db2.gz	FGKSAPYLOZMEJH-UHFFFAOYSA-N	-1	1	423.490	4.090	50	0		HIAAMM
CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=C1SC(=O)[N-]C1=O	ZINC000001444301	557265417	/nfs/dbraw/zinc/26/54/17/557265417.db2.gz	XPDOZIMLSNOJSI-BZNBOCDVSA-N	-1	1	404.491	4.216	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N2	ZINC000008346039	557782896	/nfs/dbraw/zinc/78/28/96/557782896.db2.gz	ZXFKJXDXTQBTCR-MRXNPFEDSA-N	-1	1	417.506	4.196	50	0		HIAAMM
O=S(=O)([N-]c1ccccc1)c1ccc(NC(=S)Nc2ccccc2F)cc1	ZINC000020523410	558384006	/nfs/dbraw/zinc/38/40/06/558384006.db2.gz	IRAYTTDVEIBNSK-UHFFFAOYSA-N	-1	1	401.488	4.435	50	0		HIAAMM
O=C([O-])[C@H](c1c[nH]c2cccc(Cl)c21)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000020726358	558405010	/nfs/dbraw/zinc/40/50/10/558405010.db2.gz	SCHZXZFAUQYYIL-FQEVSTJZSA-N	-1	1	418.324	4.418	50	0		HIAAMM
CCc1ccc(-c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccc4ccccc42)CC3)cc1	ZINC000004383009	558484206	/nfs/dbraw/zinc/48/42/06/558484206.db2.gz	MMLVBIRTKXZSQQ-UHFFFAOYSA-N	-1	1	409.489	4.351	50	0		HIAAMM
Cc1nc(-c2cccc(C)c2)sc1CC[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000004392378	558485029	/nfs/dbraw/zinc/48/50/29/558485029.db2.gz	XSKJRIHGSHIHHU-UHFFFAOYSA-N	-1	1	408.495	4.226	50	0		HIAAMM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl	ZINC000012970425	558488655	/nfs/dbraw/zinc/48/86/55/558488655.db2.gz	OWXRJSUJVPOHQR-UHFFFAOYSA-N	-1	1	404.919	4.146	50	0		HIAAMM
Cc1occc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000022993333	558529506	/nfs/dbraw/zinc/52/95/06/558529506.db2.gz	SQWSVNPWKLFPBV-UHFFFAOYSA-N	-1	1	406.847	4.000	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c1	ZINC000033115363	558761668	/nfs/dbraw/zinc/76/16/68/558761668.db2.gz	XVHDYJFUJNGOFN-UHFFFAOYSA-N	-1	1	420.534	4.144	50	0		HIAAMM
CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	ZINC000033274564	558764092	/nfs/dbraw/zinc/76/40/92/558764092.db2.gz	WBEGCTNFORGDJP-ZDUSSCGKSA-N	-1	1	424.925	4.226	50	0		HIAAMM
CC(C)(C)c1cc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n[nH]1	ZINC000072310828	558778074	/nfs/dbraw/zinc/77/80/74/558778074.db2.gz	XYFIGBMFMRUHRO-UHFFFAOYSA-N	-1	1	408.483	4.029	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C)s1	ZINC000033007735	558828504	/nfs/dbraw/zinc/82/85/04/558828504.db2.gz	NUPAXFODPBLAPG-UHFFFAOYSA-N	-1	1	411.455	4.032	50	0		HIAAMM
CCCOc1c2cc([N-]S(=O)(=O)c3ccccc3)ccc2sc1C(=O)OC	ZINC000033123570	558879842	/nfs/dbraw/zinc/87/98/42/558879842.db2.gz	HYACYSVXOWMBOJ-UHFFFAOYSA-N	-1	1	405.497	4.278	50	0		HIAAMM
COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c1	ZINC000033173773	558901840	/nfs/dbraw/zinc/90/18/40/558901840.db2.gz	FVEZRPJILCCEMG-UHFFFAOYSA-N	-1	1	417.434	4.275	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1	ZINC000033173775	558901886	/nfs/dbraw/zinc/90/18/86/558901886.db2.gz	IYOUVJBSWAJSMK-UHFFFAOYSA-N	-1	1	417.434	4.275	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc1	ZINC000033173775	558901888	/nfs/dbraw/zinc/90/18/88/558901888.db2.gz	IYOUVJBSWAJSMK-UHFFFAOYSA-N	-1	1	417.434	4.275	50	0		HIAAMM
O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1	ZINC000021784876	558949776	/nfs/dbraw/zinc/94/97/76/558949776.db2.gz	FHQAOVPHIFJYHW-CQSZACIVSA-N	-1	1	417.412	4.366	50	0		HIAAMM
O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021784943	558949984	/nfs/dbraw/zinc/94/99/84/558949984.db2.gz	CCKGBPOMIBEQTP-CQSZACIVSA-N	-1	1	417.412	4.366	50	0		HIAAMM
Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1	ZINC000033269672	559032412	/nfs/dbraw/zinc/03/24/12/559032412.db2.gz	IIHLCNJGCZFXED-UHFFFAOYSA-N	-1	1	422.466	4.378	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)oc(C)c3C(=O)OC(C)C)cc1	ZINC000004735785	559034917	/nfs/dbraw/zinc/03/49/17/559034917.db2.gz	UTVRSMCKLGZPFG-UHFFFAOYSA-N	-1	1	417.483	4.424	50	0		HIAAMM
COc1cccc(CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)c1	ZINC000033287269	559043869	/nfs/dbraw/zinc/04/38/69/559043869.db2.gz	IZEAKXJTXLIAIL-UHFFFAOYSA-N	-1	1	423.538	4.050	50	0		HIAAMM
CC(C)(C)c1ccc(OCc2ncc(C(=O)N3CC[C@H]3c3ccccc3)c(=O)[n-]2)cc1	ZINC000091391041	559071436	/nfs/dbraw/zinc/07/14/36/559071436.db2.gz	KVJLJNNPIXXMJG-NRFANRHFSA-N	-1	1	417.509	4.234	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1	ZINC000098072706	559126349	/nfs/dbraw/zinc/12/63/49/559126349.db2.gz	PVNKPRMRGBCOMB-UHFFFAOYSA-N	-1	1	410.211	4.277	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1cccnc1	ZINC000004979929	559222818	/nfs/dbraw/zinc/22/28/18/559222818.db2.gz	WEHIOFFYIOPGGC-UHFFFAOYSA-N	-1	1	401.875	4.097	50	0		HIAAMM
O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000100735061	559260764	/nfs/dbraw/zinc/26/07/64/559260764.db2.gz	AMUMQYGPZWXRAT-CTNGQTDRSA-N	-1	1	401.853	4.123	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1	ZINC000136556204	559277199	/nfs/dbraw/zinc/27/71/99/559277199.db2.gz	DYMRJCXFMYYENS-YTFSRNRJSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1	ZINC000017969935	560732544	/nfs/dbraw/zinc/73/25/44/560732544.db2.gz	MEVRTFYDNMFGDA-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000002949955	560886170	/nfs/dbraw/zinc/88/61/70/560886170.db2.gz	DSHGGRRHDCDVMV-MHWRWJLKSA-N	-1	1	421.521	4.100	50	0		HIAAMM
CC(C)CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1	ZINC000049421116	568450481	/nfs/dbraw/zinc/45/04/81/568450481.db2.gz	SHHADAOYBKVXGQ-QGZVFWFLSA-N	-1	1	424.570	4.030	50	0		HIAAMM
Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\Nc2ccccc2)cc1O	ZINC000049997765	568453795	/nfs/dbraw/zinc/45/37/95/568453795.db2.gz	RPRZXXNTZOYTDN-RWEWTDSWSA-N	-1	1	401.422	4.333	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1	ZINC000012312102	568466368	/nfs/dbraw/zinc/46/63/68/568466368.db2.gz	SSYBRYURHAPFNW-UHFFFAOYSA-N	-1	1	421.566	4.086	50	0		HIAAMM
CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1	ZINC000095459309	568619564	/nfs/dbraw/zinc/61/95/64/568619564.db2.gz	ZCNSIVDVSGWVRJ-QAPCUYQASA-N	-1	1	404.507	4.338	50	0		HIAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1	ZINC000020979055	568654261	/nfs/dbraw/zinc/65/42/61/568654261.db2.gz	BFJIGXKCWVIVHK-UHFFFAOYSA-N	-1	1	414.483	4.361	50	0		HIAAMM
CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21	ZINC000086056905	568753789	/nfs/dbraw/zinc/75/37/89/568753789.db2.gz	CKZOEFKFRSGLKJ-QGZVFWFLSA-N	-1	1	421.522	4.325	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1	ZINC000002637107	568792367	/nfs/dbraw/zinc/79/23/67/568792367.db2.gz	DSCMUGVXAOTJGR-UHFFFAOYSA-N	-1	1	402.907	4.126	50	0		HIAAMM
Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1F	ZINC000012508330	568840106	/nfs/dbraw/zinc/84/01/06/568840106.db2.gz	FZNVQKHXSZOJHV-UHFFFAOYSA-N	-1	1	420.412	4.465	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1	ZINC000012520995	568841557	/nfs/dbraw/zinc/84/15/57/568841557.db2.gz	DLZKRRXEZYDTLO-IAGOWNOFSA-N	-1	1	416.543	4.004	50	0		HIAAMM
O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccnc1	ZINC000012526370	568843287	/nfs/dbraw/zinc/84/32/87/568843287.db2.gz	VZTNYCLKCGTYGT-UHFFFAOYSA-N	-1	1	421.400	4.154	50	0		HIAAMM
C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)C1CC1	ZINC000012541870	568848781	/nfs/dbraw/zinc/84/87/81/568848781.db2.gz	MKFGDALBCORXBB-INIZCTEOSA-N	-1	1	408.523	4.098	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000030012842	568856144	/nfs/dbraw/zinc/85/61/44/568856144.db2.gz	MHEMTPOYZFHGLN-KRWDZBQOSA-N	-1	1	406.507	4.387	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1C	ZINC000012560722	568858091	/nfs/dbraw/zinc/85/80/91/568858091.db2.gz	QLULALNGPNRZHB-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
CCn1c([O-])c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21	ZINC000001253635	568908885	/nfs/dbraw/zinc/90/88/85/568908885.db2.gz	QROBLYLPHWPFKT-UHFFFAOYSA-N	-1	1	401.260	4.050	50	0		HIAAMM
CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccccc3)[n-]c(=O)c21	ZINC000001407715	568928462	/nfs/dbraw/zinc/92/84/62/568928462.db2.gz	WUKGJMGMTPDILF-HSZRJFAPSA-N	-1	1	405.523	4.392	50	0		HIAAMM
O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1	ZINC000031719997	568929596	/nfs/dbraw/zinc/92/95/96/568929596.db2.gz	MPZVJMWINNJNIP-UHFFFAOYSA-N	-1	1	400.500	4.492	50	0		HIAAMM
O=C(CCc1ccco1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000012821467	569005802	/nfs/dbraw/zinc/00/58/02/569005802.db2.gz	IFXCIJXGTKSYNB-UHFFFAOYSA-N	-1	1	420.874	4.011	50	0		HIAAMM
CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc2s1	ZINC000015870426	569017286	/nfs/dbraw/zinc/01/72/86/569017286.db2.gz	ZNMVTHLUYQDRFR-UHFFFAOYSA-N	-1	1	407.492	4.283	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(C)c1	ZINC000015882149	569018981	/nfs/dbraw/zinc/01/89/81/569018981.db2.gz	LGKJNHLKCDMYQU-UHFFFAOYSA-N	-1	1	408.527	4.161	50	0		HIAAMM
Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000012928146	569024070	/nfs/dbraw/zinc/02/40/70/569024070.db2.gz	VHPDFCZDARTECB-UHFFFAOYSA-N	-1	1	404.507	4.340	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2	ZINC000009569603	569039261	/nfs/dbraw/zinc/03/92/61/569039261.db2.gz	ZAVXZWOFIRJGCA-KRWDZBQOSA-N	-1	1	413.543	4.365	50	0		HIAAMM
CC1(C)C[C@@H](C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CCO1	ZINC000005902922	569060979	/nfs/dbraw/zinc/06/09/79/569060979.db2.gz	PFDVTXCGQNKXDB-INIZCTEOSA-N	-1	1	408.450	4.319	50	0	biogenic	HIAAMM
CC1(C)C[C@@H](C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CCO1	ZINC000005902922	569060980	/nfs/dbraw/zinc/06/09/80/569060980.db2.gz	PFDVTXCGQNKXDB-INIZCTEOSA-N	-1	1	408.450	4.319	50	0	biogenic	HIAAMM
O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000006551319	569065362	/nfs/dbraw/zinc/06/53/62/569065362.db2.gz	IIUJXYAQGXJZGU-UHFFFAOYSA-N	-1	1	406.385	4.157	50	0		HIAAMM
Cc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000064557731	569066811	/nfs/dbraw/zinc/06/68/11/569066811.db2.gz	HGBDRMAIKVJNLF-HXUWFJFHSA-N	-1	1	405.475	4.326	50	0		HIAAMM
Cc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000064557866	569066841	/nfs/dbraw/zinc/06/68/41/569066841.db2.gz	SBMGRBLIIBNTKU-HXUWFJFHSA-N	-1	1	405.475	4.326	50	0		HIAAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000006641874	569078171	/nfs/dbraw/zinc/07/81/71/569078171.db2.gz	HCVFMVWDRQPTIZ-QGMBQPNBSA-N	-1	1	413.495	4.141	50	0		HIAAMM
O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc21	ZINC000064862099	569110478	/nfs/dbraw/zinc/11/04/78/569110478.db2.gz	CLUIQPVJHKZUKO-UHFFFAOYSA-N	-1	1	417.506	4.031	50	0		HIAAMM
COc1cc(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)ccc1C	ZINC000036390605	569165845	/nfs/dbraw/zinc/16/58/45/569165845.db2.gz	LSKAZQONHHVKPK-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2C1=O	ZINC000065241561	569201827	/nfs/dbraw/zinc/20/18/27/569201827.db2.gz	LETWFHDJTSYJLX-UHFFFAOYSA-N	-1	1	423.494	4.272	50	0		HIAAMM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccccc2)CC(=O)O1	ZINC000013382656	569255322	/nfs/dbraw/zinc/25/53/22/569255322.db2.gz	LSJDQLIDQSCRBN-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccccc1)CC(=O)O2	ZINC000013382656	569255323	/nfs/dbraw/zinc/25/53/23/569255323.db2.gz	LSJDQLIDQSCRBN-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc(F)c(Cl)c1	ZINC000067298688	571072429	/nfs/dbraw/zinc/07/24/29/571072429.db2.gz	MSTOIVSGPIPIPB-MEFNAMQOSA-N	-1	1	416.836	4.072	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1	ZINC000008840648	571123595	/nfs/dbraw/zinc/12/35/95/571123595.db2.gz	SOSGZJWFWHFGAB-UHFFFAOYSA-N	-1	1	406.507	4.275	50	0		HIAAMM
CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n1	ZINC000009572461	571269061	/nfs/dbraw/zinc/26/90/61/571269061.db2.gz	KDLVOVUETLGTKP-UHFFFAOYSA-N	-1	1	417.922	4.415	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)c(C)c1	ZINC000009630773	571274671	/nfs/dbraw/zinc/27/46/71/571274671.db2.gz	HDWSAKXWLNBRHC-UHFFFAOYSA-N	-1	1	420.494	4.233	50	0		HIAAMM
COc1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1	ZINC000009685383	571279797	/nfs/dbraw/zinc/27/97/97/571279797.db2.gz	QTKRZENMDVNDLL-UHFFFAOYSA-N	-1	1	412.511	4.441	50	0		HIAAMM
O=C(Nc1cccc2cccnc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010426188	571302474	/nfs/dbraw/zinc/30/24/74/571302474.db2.gz	LDPUFVYVZITRPF-UHFFFAOYSA-N	-1	1	403.463	4.288	50	0		HIAAMM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)ccc21	ZINC000007323464	132323883	/nfs/dbraw/zinc/32/38/83/132323883.db2.gz	AHSOAYPNNGACQA-UHFFFAOYSA-N	-1	1	420.534	4.377	50	0		HIAAMM
O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21	ZINC000012180541	132355802	/nfs/dbraw/zinc/35/58/02/132355802.db2.gz	YLTQBVMIKMKNKI-UHFFFAOYSA-N	-1	1	410.470	4.220	50	0		HIAAMM
CCc1cc(=O)[n-]c(SCc2nc(-c3ccccc3OCc3ccccc3)no2)n1	ZINC000044169544	523740074	/nfs/dbraw/zinc/74/00/74/523740074.db2.gz	FFMIEBOAGKCRAM-UHFFFAOYSA-N	-1	1	420.494	4.254	50	0		HIAAMM
Cc1nnsc1C(=O)[N-]c1nnc(SCc2c(F)cccc2Cl)s1	ZINC000048984797	526446958	/nfs/dbraw/zinc/44/69/58/526446958.db2.gz	ZVSMBBFYZJGOAH-UHFFFAOYSA-N	-1	1	401.901	4.035	50	0		HIAAMM
O=C(Cc1n[n-]c(=S)n1Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1	ZINC000032843877	527339383	/nfs/dbraw/zinc/33/93/83/527339383.db2.gz	MXXSUVANKOJFGE-UHFFFAOYSA-N	-1	1	408.405	4.069	50	0		HIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccco1	ZINC000001142855	557205629	/nfs/dbraw/zinc/20/56/29/557205629.db2.gz	JVWLEKXBQJUDNC-UHFFFAOYSA-N	-1	1	421.272	4.095	50	0		HIAAMM
CCc1ccc(CC)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1	ZINC000002840953	557400896	/nfs/dbraw/zinc/40/08/96/557400896.db2.gz	PQMXDBDHAYBGRH-UHFFFAOYSA-N	-1	1	415.296	4.217	50	0		HIAAMM
COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000004648725	557575172	/nfs/dbraw/zinc/57/51/72/557575172.db2.gz	UXUOKSKSGAEUFB-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cccc(Cl)c1Cl	ZINC000005237813	557641024	/nfs/dbraw/zinc/64/10/24/557641024.db2.gz	ILJJEJYCMNLUIP-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000007052706	557734111	/nfs/dbraw/zinc/73/41/11/557734111.db2.gz	ZDCGDNQTUGMPQR-UHFFFAOYSA-N	-1	1	405.111	4.321	50	0		HIAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)cc3)ccc2N1	ZINC000008745718	557804801	/nfs/dbraw/zinc/80/48/01/557804801.db2.gz	XIFPPXZJNPSAGO-UHFFFAOYSA-N	-1	1	421.503	4.259	50	0		HIAAMM
CCCc1sc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1CC	ZINC000021006176	558428939	/nfs/dbraw/zinc/42/89/39/558428939.db2.gz	PAXQRBOZMCKVGS-UHFFFAOYSA-N	-1	1	422.572	4.005	50	0		HIAAMM
COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000012630423	558441639	/nfs/dbraw/zinc/44/16/39/558441639.db2.gz	UPNDYYSUGASBIB-UHFFFAOYSA-N	-1	1	424.522	4.077	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccncc3)c2)cc1C	ZINC000012631221	558441784	/nfs/dbraw/zinc/44/17/84/558441784.db2.gz	VQPAZEWZBGTJND-UHFFFAOYSA-N	-1	1	415.902	4.405	50	0		HIAAMM
CCOc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1	ZINC000012706169	558449997	/nfs/dbraw/zinc/44/99/97/558449997.db2.gz	AXFYYSZOPWPMPN-ATJXCDBQSA-N	-1	1	407.451	4.478	50	0		HIAAMM
O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000021875823	558453262	/nfs/dbraw/zinc/45/32/62/558453262.db2.gz	CEPPPUXFSYKNHF-UHFFFAOYSA-N	-1	1	418.421	4.341	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2OC)s1	ZINC000033007886	558828664	/nfs/dbraw/zinc/82/86/64/558828664.db2.gz	CWTKGOZWPZWTJB-UHFFFAOYSA-N	-1	1	419.528	4.071	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3CC)cc2OC)s1	ZINC000033007911	558828737	/nfs/dbraw/zinc/82/87/37/558828737.db2.gz	MIUXETWEUKZZGW-UHFFFAOYSA-N	-1	1	419.528	4.017	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cc(Cl)cc(Cl)c1	ZINC000018115613	558831355	/nfs/dbraw/zinc/83/13/55/558831355.db2.gz	APILHKIXZWBBAX-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c(C)c1C	ZINC000058180325	558910091	/nfs/dbraw/zinc/91/00/91/558910091.db2.gz	AKJBMXWPKGHAHY-UHFFFAOYSA-N	-1	1	406.523	4.005	50	0		HIAAMM
CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1Cl	ZINC000033254010	558922353	/nfs/dbraw/zinc/92/23/53/558922353.db2.gz	BGGALSOAAXKWTI-UHFFFAOYSA-N	-1	1	410.923	4.465	50	0		HIAAMM
O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021785016	558950141	/nfs/dbraw/zinc/95/01/41/558950141.db2.gz	ABKJRDGZLNJPDT-CQSZACIVSA-N	-1	1	417.412	4.366	50	0		HIAAMM
COc1cccc(CSc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)[n-]2)c1	ZINC000023138196	559018475	/nfs/dbraw/zinc/01/84/75/559018475.db2.gz	HSEYJSCYEBCXPF-UHFFFAOYSA-N	-1	1	423.538	4.177	50	0		HIAAMM
Cc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1CC(=O)Nc1ccc(F)cc1	ZINC000023138577	559019907	/nfs/dbraw/zinc/01/99/07/559019907.db2.gz	AISFKKOFFHJWTG-UHFFFAOYSA-N	-1	1	417.893	4.344	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(F)c(F)c3)n2)cc1)c1ccccc1	ZINC000033276402	559036183	/nfs/dbraw/zinc/03/61/83/559036183.db2.gz	LHUQIVOYPZTLAJ-UHFFFAOYSA-N	-1	1	413.405	4.483	50	0		HIAAMM
COc1cccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)c1	ZINC000033276408	559036232	/nfs/dbraw/zinc/03/62/32/559036232.db2.gz	IESZCHGAPWZYLS-UHFFFAOYSA-N	-1	1	421.478	4.137	50	0		HIAAMM
O=c1[n-]nc(Sc2ncccc2C(F)(F)F)n1-c1ccccc1C(F)(F)F	ZINC000095626667	559087583	/nfs/dbraw/zinc/08/75/83/559087583.db2.gz	GSYWMDNJFSNDRB-UHFFFAOYSA-N	-1	1	406.311	4.144	50	0		HIAAMM
O=C(c1cc(Cl)ccc1[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000014021650	559143879	/nfs/dbraw/zinc/14/38/79/559143879.db2.gz	IFLWGXOBYIXGFG-UHFFFAOYSA-N	-1	1	420.218	4.075	50	0		HIAAMM
O=C([N-]c1nnc(-c2ccc(Br)s2)o1)c1nc2ccccc2s1	ZINC000011695449	559188687	/nfs/dbraw/zinc/18/86/87/559188687.db2.gz	GJGUGOBGZUQVGN-UHFFFAOYSA-N	-1	1	407.274	4.423	50	0		HIAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc3c2N1CCC3	ZINC000005154209	559253456	/nfs/dbraw/zinc/25/34/56/559253456.db2.gz	RHMVWUYZPHILQY-UHFFFAOYSA-N	-1	1	411.310	4.020	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2C)C[C@@H]1c1ccco1	ZINC000253426963	559280405	/nfs/dbraw/zinc/28/04/05/559280405.db2.gz	JUFVZLIWJMOGMK-HXUWFJFHSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1	ZINC000137644285	559280624	/nfs/dbraw/zinc/28/06/24/559280624.db2.gz	NVIVEEWTUYRTIJ-YTFSRNRJSA-N	-1	1	416.452	4.494	50	0		HIAAMM
CC[C@@H]1CCCCN1C(=O)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1	ZINC000101828244	560802664	/nfs/dbraw/zinc/80/26/64/560802664.db2.gz	YOFQGTCLXQWIDA-QGZVFWFLSA-N	-1	1	400.482	4.223	50	0		HIAAMM
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc(Cl)ccc2Cl)[n-]c(=O)c1C	ZINC000012127006	560889666	/nfs/dbraw/zinc/88/96/66/560889666.db2.gz	MRMXVKMKUUNDQQ-UHFFFAOYSA-N	-1	1	418.284	4.009	50	0		HIAAMM
Cc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1	ZINC000024616730	568432340	/nfs/dbraw/zinc/43/23/40/568432340.db2.gz	FYCLDJFXKHSZKD-UHFFFAOYSA-N	-1	1	415.902	4.405	50	0		HIAAMM
CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000049421245	568450604	/nfs/dbraw/zinc/45/06/04/568450604.db2.gz	METCDCWIZKWEOF-DOTOQJQBSA-N	-1	1	424.570	4.091	50	0		HIAAMM
CC[C@H]1CC[C@H](C)N1C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1	ZINC000095459307	568619517	/nfs/dbraw/zinc/61/95/17/568619517.db2.gz	ZCNSIVDVSGWVRJ-YJBOKZPZSA-N	-1	1	404.507	4.338	50	0		HIAAMM
Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000021278463	568687028	/nfs/dbraw/zinc/68/70/28/568687028.db2.gz	QZYYRAZBDUQVNP-UHFFFAOYSA-N	-1	1	410.470	4.138	50	0		HIAAMM
COc1cccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3[nH]2)c1	ZINC000021357217	568688321	/nfs/dbraw/zinc/68/83/21/568688321.db2.gz	YGYSATNKSQKLBN-UHFFFAOYSA-N	-1	1	407.495	4.158	50	0		HIAAMM
O=C1C[C@H](c2ccsc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096116375	568695704	/nfs/dbraw/zinc/69/57/04/568695704.db2.gz	BSMXJLCVUSCQJV-CQSZACIVSA-N	-1	1	406.415	4.374	50	0		HIAAMM
O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1	ZINC000096116375	568695705	/nfs/dbraw/zinc/69/57/05/568695705.db2.gz	BSMXJLCVUSCQJV-CQSZACIVSA-N	-1	1	406.415	4.374	50	0		HIAAMM
CC(C)c1ccc2c(c1)occ([C@H]1N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O	ZINC000230518519	568717377	/nfs/dbraw/zinc/71/73/77/568717377.db2.gz	MJNMRWVUYDGWQA-SIKLNZKXSA-N	-1	1	402.450	4.086	50	0		HIAAMM
Cc1cc(Cl)ccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1	ZINC000005790327	568733662	/nfs/dbraw/zinc/73/36/62/568733662.db2.gz	WLJXCDBSDOFHCB-UHFFFAOYSA-N	-1	1	413.930	4.362	50	0		HIAAMM
Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000096379522	568740999	/nfs/dbraw/zinc/74/09/99/568740999.db2.gz	MKAQFPAUZKZJHA-UHFFFAOYSA-N	-1	1	400.504	4.367	50	0		HIAAMM
Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(C)c1	ZINC000096379536	568741063	/nfs/dbraw/zinc/74/10/63/568741063.db2.gz	WXRZSZAVNZTJHB-UHFFFAOYSA-N	-1	1	404.467	4.197	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1-c1nnc(C2CC2)o1	ZINC000096379673	568741386	/nfs/dbraw/zinc/74/13/86/568741386.db2.gz	MVKNHZIHDYBEQU-UHFFFAOYSA-N	-1	1	410.858	4.152	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1-c1nnc(C2CCC2)o1	ZINC000096379723	568741490	/nfs/dbraw/zinc/74/14/90/568741490.db2.gz	ACKKXOJWROMCLH-UHFFFAOYSA-N	-1	1	404.467	4.197	50	0		HIAAMM
CCCc1nnc([N-]C(=O)c2cc(Br)c(Br)s2)s1	ZINC000018840178	568742445	/nfs/dbraw/zinc/74/24/45/568742445.db2.gz	FUQIWCHQWUWULS-UHFFFAOYSA-N	-1	1	411.144	4.329	50	0		HIAAMM
O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000012532565	568844335	/nfs/dbraw/zinc/84/43/35/568844335.db2.gz	FHKHTTKVVLDODV-UHFFFAOYSA-N	-1	1	409.311	4.401	50	0		HIAAMM
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000012544929	568850084	/nfs/dbraw/zinc/85/00/84/568850084.db2.gz	TXEZGTVILXMOBS-UHFFFAOYSA-N	-1	1	411.321	4.297	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCCCn2ccc3ccccc32)c1	ZINC000012554988	568855270	/nfs/dbraw/zinc/85/52/70/568855270.db2.gz	JELXUFHVZXEPPI-UHFFFAOYSA-N	-1	1	419.554	4.467	50	0		HIAAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000004032429	568879064	/nfs/dbraw/zinc/87/90/64/568879064.db2.gz	KHFHCZFJMUKNCW-OAHLLOKOSA-N	-1	1	419.934	4.318	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccs3)c2)cc1	ZINC000007985161	568964293	/nfs/dbraw/zinc/96/42/93/568964293.db2.gz	FTGUVBILBARZOL-AWEZNQCLSA-N	-1	1	416.524	4.049	50	0		HIAAMM
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc2S1	ZINC000015730489	568980897	/nfs/dbraw/zinc/98/08/97/568980897.db2.gz	HGGHCRDMBHKNBU-SECBINFHSA-N	-1	1	400.884	4.103	50	0		HIAAMM
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2S1	ZINC000015730288	568980980	/nfs/dbraw/zinc/98/09/80/568980980.db2.gz	HJPKYCIZDGMBPU-JTQLQIEISA-N	-1	1	416.446	4.329	50	0		HIAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1	ZINC000085664720	569006648	/nfs/dbraw/zinc/00/66/48/569006648.db2.gz	NOIINUZOIZULQU-UHFFFAOYSA-N	-1	1	415.418	4.160	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)c1	ZINC000015870311	569017232	/nfs/dbraw/zinc/01/72/32/569017232.db2.gz	NNFMNVOBCQHNIT-UHFFFAOYSA-N	-1	1	403.529	4.308	50	0		HIAAMM
O=S(=O)([N-]c1cccc(I)c1)c1ccc2ccccc2c1	ZINC000001218206	569039347	/nfs/dbraw/zinc/03/93/47/569039347.db2.gz	YFZYFDLVJTYUBN-UHFFFAOYSA-N	-1	1	409.248	4.245	50	0		HIAAMM
CCOc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)c(C)o2)cc1	ZINC000035480775	569039349	/nfs/dbraw/zinc/03/93/49/569039349.db2.gz	YUKZOJLDURFJBG-UHFFFAOYSA-N	-1	1	411.405	4.443	50	0		HIAAMM
COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccccc2Cl)cc1	ZINC000012995226	569048230	/nfs/dbraw/zinc/04/82/30/569048230.db2.gz	HSZCLLYVRLKMOJ-UHFFFAOYSA-N	-1	1	416.934	4.318	50	0		HIAAMM
O=S(=O)([N-]c1cc(Br)cnc1Cl)c1ccc(F)cc1Cl	ZINC000141499912	569060060	/nfs/dbraw/zinc/06/00/60/569060060.db2.gz	FUNNUGXEMVTQAX-UHFFFAOYSA-N	-1	1	400.056	4.091	50	0		HIAAMM
CC1(C)C[C@H](C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CCO1	ZINC000005902884	569060997	/nfs/dbraw/zinc/06/09/97/569060997.db2.gz	PFDVTXCGQNKXDB-MRXNPFEDSA-N	-1	1	408.450	4.319	50	0	biogenic	HIAAMM
CC1(C)C[C@H](C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CCO1	ZINC000005902884	569060998	/nfs/dbraw/zinc/06/09/98/569060998.db2.gz	PFDVTXCGQNKXDB-MRXNPFEDSA-N	-1	1	408.450	4.319	50	0	biogenic	HIAAMM
Cc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000064557867	569066880	/nfs/dbraw/zinc/06/68/80/569066880.db2.gz	SBMGRBLIIBNTKU-FQEVSTJZSA-N	-1	1	405.475	4.326	50	0		HIAAMM
COc1cc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc(OC)c1	ZINC000064837480	569104560	/nfs/dbraw/zinc/10/45/60/569104560.db2.gz	SENPZLINOAKFAT-UHFFFAOYSA-N	-1	1	402.472	4.085	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000065115739	569179603	/nfs/dbraw/zinc/17/96/03/569179603.db2.gz	CIHOGIXRVLMQCO-UHFFFAOYSA-N	-1	1	419.890	4.371	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1	ZINC000065115851	569179763	/nfs/dbraw/zinc/17/97/63/569179763.db2.gz	VTJRANOHMRAWLK-UHFFFAOYSA-N	-1	1	417.462	4.165	50	0		HIAAMM
COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(C)=O)c3)ccc2OC)cc1	ZINC000007423361	569237804	/nfs/dbraw/zinc/23/78/04/569237804.db2.gz	DLHKIBYLFRRYEV-UHFFFAOYSA-N	-1	1	411.479	4.374	50	0		HIAAMM
COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)nn1	ZINC000007428251	569238561	/nfs/dbraw/zinc/23/85/61/569238561.db2.gz	ZTNGXDHCLNEWQF-UHFFFAOYSA-N	-1	1	410.282	4.260	50	0		HIAAMM
O=C([O-])c1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1	ZINC000252475146	569288120	/nfs/dbraw/zinc/28/81/20/569288120.db2.gz	UPXIZEXESVPPEC-UHFFFAOYSA-N	-1	1	414.053	4.061	50	0		HIAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3N3CCCCCC3)ccc2N1	ZINC000007907275	569321140	/nfs/dbraw/zinc/32/11/40/569321140.db2.gz	UVRYXQYBBGWTLN-UHFFFAOYSA-N	-1	1	419.934	4.016	50	0		HIAAMM
O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(C(F)(F)F)ccc1Cl	ZINC000253420876	569367930	/nfs/dbraw/zinc/36/79/30/569367930.db2.gz	NCHUIEBTMVHMDD-UHFFFAOYSA-N	-1	1	420.775	4.084	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000012869277	569404361	/nfs/dbraw/zinc/40/43/61/569404361.db2.gz	WFYFJEDAVPKLMY-UHFFFAOYSA-N	-1	1	401.875	4.097	50	0		HIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1	ZINC000013358144	569411559	/nfs/dbraw/zinc/41/15/59/569411559.db2.gz	UAMGPZSCONNYKB-UHFFFAOYSA-N	-1	1	401.513	4.186	50	0		HIAAMM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc21	ZINC000012647723	571044008	/nfs/dbraw/zinc/04/40/08/571044008.db2.gz	QNUVVMAQZYTWHE-UHFFFAOYSA-N	-1	1	419.506	4.134	50	0		HIAAMM
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc(Cl)nc1	ZINC000008685615	571101654	/nfs/dbraw/zinc/10/16/54/571101654.db2.gz	MQAIBRUZZJHZGQ-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc2cc(F)ccc2[nH]1	ZINC000040108857	571168261	/nfs/dbraw/zinc/16/82/61/571168261.db2.gz	GOUUEDMZDYVKJX-UHFFFAOYSA-N	-1	1	409.442	4.360	50	0		HIAAMM
CC(C)CCN1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2OCC(C)(C)C1=O	ZINC000009169330	571233443	/nfs/dbraw/zinc/23/34/43/571233443.db2.gz	GOCLPXMJCGVJGQ-UHFFFAOYSA-N	-1	1	416.543	4.285	50	0		HIAAMM
Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000009377967	571253289	/nfs/dbraw/zinc/25/32/89/571253289.db2.gz	ADDGSMPBJPKVCH-UHFFFAOYSA-N	-1	1	402.545	4.065	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2	ZINC000009569604	571268609	/nfs/dbraw/zinc/26/86/09/571268609.db2.gz	ZAVXZWOFIRJGCA-QGZVFWFLSA-N	-1	1	413.543	4.365	50	0		HIAAMM
O=c1cc2nc(-c3ccc(F)cc3)nc(SCCOc3ccc(Cl)cc3)n2[n-]1	ZINC000009641126	571275700	/nfs/dbraw/zinc/27/57/00/571275700.db2.gz	ZWWPEOVXVWZNTI-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
Cc1ccccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21	ZINC000009640786	571275713	/nfs/dbraw/zinc/27/57/13/571275713.db2.gz	FYPRQEBGRKYKAI-UHFFFAOYSA-N	-1	1	412.902	4.218	50	0		HIAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(/C=C\c3ccccn3)c2)cc1	ZINC000096920446	852558134	/nfs/dbraw/zinc/55/81/34/852558134.db2.gz	LHXPXLWSTMIUTK-KTKRTIGZSA-N	-1	1	419.506	4.180	50	0		HIAAMM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2	ZINC000006779504	132315708	/nfs/dbraw/zinc/31/57/08/132315708.db2.gz	PTYJPSSMEXPBMH-AWEZNQCLSA-N	-1	1	418.584	4.459	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1	ZINC000011612435	132348459	/nfs/dbraw/zinc/34/84/59/132348459.db2.gz	ZSMUZOSXIBDDDH-UHFFFAOYSA-N	-1	1	406.507	4.389	50	0		HIAAMM
O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc21	ZINC000012180343	132355678	/nfs/dbraw/zinc/35/56/78/132355678.db2.gz	BUWDCUMBIMRANE-UHFFFAOYSA-N	-1	1	410.470	4.220	50	0		HIAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1	ZINC000015882190	132463284	/nfs/dbraw/zinc/46/32/84/132463284.db2.gz	BYUINOCAMXVAKK-UHFFFAOYSA-N	-1	1	422.554	4.489	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc21	ZINC000032943886	519635735	/nfs/dbraw/zinc/63/57/35/519635735.db2.gz	NISGGDFTTJXNPI-LBPRGKRZSA-N	-1	1	410.948	4.296	50	0		HIAAMM
Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2[O-])c(-n2cnnc2)c1	ZINC000032502319	525394070	/nfs/dbraw/zinc/39/40/70/525394070.db2.gz	YNMPWXIDZNNFIH-UHFFFAOYSA-N	-1	1	414.893	4.250	50	0		HIAAMM
O=C([O-])c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2F)c1	ZINC000040288553	526392419	/nfs/dbraw/zinc/39/24/19/526392419.db2.gz	UWVFASWIZXJIHG-GOSISDBHSA-N	-1	1	414.824	4.080	50	0		HIAAMM
O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000001006547	557141080	/nfs/dbraw/zinc/14/10/80/557141080.db2.gz	JYWNHOLMQYVMPP-UHFFFAOYSA-N	-1	1	400.887	4.071	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1C	ZINC000001073011	557170917	/nfs/dbraw/zinc/17/09/17/557170917.db2.gz	RBXDEIQVPMXJAE-UHFFFAOYSA-N	-1	1	422.550	4.385	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1OC	ZINC000006229210	557695023	/nfs/dbraw/zinc/69/50/23/557695023.db2.gz	BRRVRVGDBJKBOG-UHFFFAOYSA-N	-1	1	423.494	4.128	50	0		HIAAMM
O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1nc(-c2ccco2)n[n-]1	ZINC000007000077	557733106	/nfs/dbraw/zinc/73/31/06/557733106.db2.gz	TXVJYQDQRBJBAU-UHFFFAOYSA-N	-1	1	418.023	4.479	50	0		HIAAMM
O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1n[n-]c(-c2ccco2)n1	ZINC000007000077	557733109	/nfs/dbraw/zinc/73/31/09/557733109.db2.gz	TXVJYQDQRBJBAU-UHFFFAOYSA-N	-1	1	418.023	4.479	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2	ZINC000008346005	557782928	/nfs/dbraw/zinc/78/29/28/557782928.db2.gz	UYRNXGGCEQEUJA-CYBMUJFWSA-N	-1	1	405.545	4.036	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccc1	ZINC000011582554	558264336	/nfs/dbraw/zinc/26/43/36/558264336.db2.gz	NYINATMVWNAHFI-BHIFYINESA-N	-1	1	402.425	4.185	50	0		HIAAMM
O=S(=O)(Cc1ccccc1)[N-][C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F	ZINC000021038285	558429817	/nfs/dbraw/zinc/42/98/17/558429817.db2.gz	LVZOFAUDBSCMSU-FQEVSTJZSA-N	-1	1	423.469	4.085	50	0		HIAAMM
COc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000012630900	558441922	/nfs/dbraw/zinc/44/19/22/558441922.db2.gz	MAEWQPATRDRUEX-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
CC1(C)C[C@]2(C[C@H](c3ccccc3F)c3cc(Cl)c([O-])cc3O2)NC(=S)N1	ZINC000013521697	558536566	/nfs/dbraw/zinc/53/65/66/558536566.db2.gz	LDMMFURXYJLEFT-ZUOKHONESA-N	-1	1	406.910	4.442	50	0		HIAAMM
Cc1cc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)ccc1Br	ZINC000010917003	558562623	/nfs/dbraw/zinc/56/26/23/558562623.db2.gz	WSMBYXQDUKOLJQ-UHFFFAOYSA-N	-1	1	417.332	4.241	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1	ZINC000033274567	558764089	/nfs/dbraw/zinc/76/40/89/558764089.db2.gz	KOGDHIHQDSDPGA-OAHLLOKOSA-N	-1	1	420.962	4.396	50	0		HIAAMM
Cc1ccccc1Nc1nnc(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)s1	ZINC000016051136	558771035	/nfs/dbraw/zinc/77/10/35/558771035.db2.gz	PKKYOOXRRXUEAG-UHFFFAOYSA-N	-1	1	418.931	4.292	50	0		HIAAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1cccnc1	ZINC000016400289	558789685	/nfs/dbraw/zinc/78/96/85/558789685.db2.gz	YIZBMHRMKNRHOB-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1	ZINC000018127668	558831604	/nfs/dbraw/zinc/83/16/04/558831604.db2.gz	KROPIDGCKMSLKK-UHFFFAOYSA-N	-1	1	401.875	4.255	50	0		HIAAMM
CSc1cccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)c1	ZINC000023138446	559019805	/nfs/dbraw/zinc/01/98/05/559019805.db2.gz	GZKWRFXDTKLWFT-UHFFFAOYSA-N	-1	1	415.515	4.104	50	0		HIAAMM
C[C@H]1c2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc3c2N(CCC3)C1=O	ZINC000005153947	559254308	/nfs/dbraw/zinc/25/43/08/559254308.db2.gz	DNWFAVPKPQWJCA-JTQLQIEISA-N	-1	1	411.310	4.191	50	0		HIAAMM
Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCCC2)n1	ZINC000011854351	559262216	/nfs/dbraw/zinc/26/22/16/559262216.db2.gz	XGCSALDOFJHSBJ-UHFFFAOYSA-N	-1	1	411.531	4.292	50	0		HIAAMM
CCn1c2ccc(N)cc2nc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000252500431	559278018	/nfs/dbraw/zinc/27/80/18/559278018.db2.gz	SVPZOWDJNVFUEC-UHFFFAOYSA-N	-1	1	406.511	4.415	50	0		HIAAMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(I)cc1	ZINC000005234704	560548135	/nfs/dbraw/zinc/54/81/35/560548135.db2.gz	ZNZPUJNFWQOWMQ-UHFFFAOYSA-N	-1	1	407.660	4.054	50	0		HIAAMM
CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccccc1	ZINC000005644915	560636199	/nfs/dbraw/zinc/63/61/99/560636199.db2.gz	MMMPPIQTOZIUHI-UNOMPAQXSA-N	-1	1	411.483	4.309	50	0		HIAAMM
CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccccc1	ZINC000005644915	560636201	/nfs/dbraw/zinc/63/62/01/560636201.db2.gz	MMMPPIQTOZIUHI-UNOMPAQXSA-N	-1	1	411.483	4.309	50	0		HIAAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1C(=O)c1ccccc1	ZINC000005655111	560637319	/nfs/dbraw/zinc/63/73/19/560637319.db2.gz	WGTHVYOCMCYOJD-UHFFFAOYSA-N	-1	1	400.386	4.087	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1	ZINC000017836389	560729060	/nfs/dbraw/zinc/72/90/60/560729060.db2.gz	DYMRJCXFMYYENS-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1	ZINC000017903144	560730042	/nfs/dbraw/zinc/73/00/42/560730042.db2.gz	JTCAKWIBHQJRHB-UHFFFAOYSA-N	-1	1	405.829	4.125	50	0		HIAAMM
CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2ccccc2cc1[O-]	ZINC000018012048	560762689	/nfs/dbraw/zinc/76/26/89/560762689.db2.gz	IOUKHHJNYRYVJW-UHFFFAOYSA-N	-1	1	418.371	4.155	50	0		HIAAMM
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1	ZINC000101056083	560767946	/nfs/dbraw/zinc/76/79/46/560767946.db2.gz	RMNAEOOPLMGPFF-ZRBLBEILSA-N	-1	1	414.461	4.055	50	0		HIAAMM
CCCCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1=O	ZINC000101495281	560796308	/nfs/dbraw/zinc/79/63/08/560796308.db2.gz	KYVDGAQHQTXTEC-IBGZPJMESA-N	-1	1	421.522	4.400	50	0		HIAAMM
O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2cccc(O)c2)CC(=O)O1	ZINC000096115413	568694937	/nfs/dbraw/zinc/69/49/37/568694937.db2.gz	JJWSFBNOCLGOQV-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cccc(O)c1)CC(=O)O2	ZINC000096115413	568694940	/nfs/dbraw/zinc/69/49/40/568694940.db2.gz	JJWSFBNOCLGOQV-INIZCTEOSA-N	-1	1	400.386	4.312	50	0		HIAAMM
O=S(=O)([N-]c1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(Cl)cc1	ZINC000002804355	568811672	/nfs/dbraw/zinc/81/16/72/568811672.db2.gz	ZIDDBYYQTCUAFY-UHFFFAOYSA-N	-1	1	400.262	4.178	50	0		HIAAMM
COc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc([O-])cc2O)cc1	ZINC000006024924	568835648	/nfs/dbraw/zinc/83/56/48/568835648.db2.gz	HJUXNXBFUNOVLV-UHFFFAOYSA-N	-1	1	406.463	4.420	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c1C	ZINC000012585001	568865924	/nfs/dbraw/zinc/86/59/24/568865924.db2.gz	JBMBYXQFZZZSED-IYBDPMFKSA-N	-1	1	400.544	4.222	50	0		HIAAMM
Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1	ZINC000012585041	568866100	/nfs/dbraw/zinc/86/61/00/568866100.db2.gz	HLLALRZXMCIKRD-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C	ZINC000012773083	568952566	/nfs/dbraw/zinc/95/25/66/568952566.db2.gz	MZDVSSJKIHNCIZ-UHFFFAOYSA-N	-1	1	402.394	4.043	50	0		HIAAMM
COc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000008195458	568982322	/nfs/dbraw/zinc/98/23/22/568982322.db2.gz	WHBXHMNRVVLENR-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccncc3)CC(=O)O4)c2=O)cc1	ZINC000085877022	569009665	/nfs/dbraw/zinc/00/96/65/569009665.db2.gz	RLIXXRYWIMZCGY-MRXNPFEDSA-N	-1	1	415.401	4.010	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccncc2)cc1	ZINC000085877022	569009666	/nfs/dbraw/zinc/00/96/66/569009666.db2.gz	RLIXXRYWIMZCGY-MRXNPFEDSA-N	-1	1	415.401	4.010	50	0		HIAAMM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccncc3)CC(=O)O4)c2=O)cc1	ZINC000085877018	569009689	/nfs/dbraw/zinc/00/96/89/569009689.db2.gz	RLIXXRYWIMZCGY-INIZCTEOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccncc2)cc1	ZINC000085877018	569009690	/nfs/dbraw/zinc/00/96/90/569009690.db2.gz	RLIXXRYWIMZCGY-INIZCTEOSA-N	-1	1	415.401	4.010	50	0		HIAAMM
Cn1c([O-])c(C(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c(=O)c2ccccc21	ZINC000575443162	569028352	/nfs/dbraw/zinc/02/83/52/569028352.db2.gz	KGXKWZYLWAMHFV-INIZCTEOSA-N	-1	1	421.884	4.186	50	0		HIAAMM
O=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[n-]1)c1ccc(Cl)cc1	ZINC000575443731	569028562	/nfs/dbraw/zinc/02/85/62/569028562.db2.gz	KYTDCTJXLRQVKB-UHFFFAOYSA-N	-1	1	404.850	4.246	50	0		HIAAMM
Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1Br	ZINC000006315670	569040228	/nfs/dbraw/zinc/04/02/28/569040228.db2.gz	BZIKPYQYBDZYQC-UHFFFAOYSA-N	-1	1	405.111	4.321	50	0		HIAAMM
Cc1ccc(NC(=O)c2cccn2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000013003764	569049356	/nfs/dbraw/zinc/04/93/56/569049356.db2.gz	AJALTKBAKACTGR-UHFFFAOYSA-N	-1	1	403.891	4.040	50	0		HIAAMM
C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1	ZINC000016642549	569061346	/nfs/dbraw/zinc/06/13/46/569061346.db2.gz	VWSPIKGUPGCMKH-CYBMUJFWSA-N	-1	1	410.898	4.152	50	0		HIAAMM
Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1	ZINC000006623483	569075157	/nfs/dbraw/zinc/07/51/57/569075157.db2.gz	YWCVWRXWAJXHMZ-UHFFFAOYSA-N	-1	1	402.422	4.326	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1C	ZINC000065020992	569154291	/nfs/dbraw/zinc/15/42/91/569154291.db2.gz	QWXMSUAZCPACFZ-UHFFFAOYSA-N	-1	1	400.544	4.384	50	0		HIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1C	ZINC000065115768	569179765	/nfs/dbraw/zinc/17/97/65/569179765.db2.gz	SDZINHCWQPRIAH-UHFFFAOYSA-N	-1	1	413.499	4.280	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1OCC	ZINC000007421229	569237611	/nfs/dbraw/zinc/23/76/11/569237611.db2.gz	LIUBTNLOPVPEAV-UHFFFAOYSA-N	-1	1	414.321	4.356	50	0		HIAAMM
CC(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccc(C)o1	ZINC000089652579	569261942	/nfs/dbraw/zinc/26/19/42/569261942.db2.gz	YCFIPGRMVJFEAY-NRFANRHFSA-N	-1	1	423.494	4.086	50	0		HIAAMM
Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@H]2[C@@H]1c1ccc(F)cc1	ZINC000238882264	571046533	/nfs/dbraw/zinc/04/65/33/571046533.db2.gz	CYSKHBCHNLYEME-FKBYEOEOSA-N	-1	1	402.425	4.185	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCc3cccs3)c2)cc1	ZINC000008725720	571108190	/nfs/dbraw/zinc/10/81/90/571108190.db2.gz	JBJWYPUMPSNRIV-UHFFFAOYSA-N	-1	1	416.524	4.129	50	0		HIAAMM
CCN1c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2OCC(C)(C)C1=O	ZINC000009166202	571232748	/nfs/dbraw/zinc/23/27/48/571232748.db2.gz	OAXZBZMNYDFYHJ-UHFFFAOYSA-N	-1	1	424.522	4.412	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1	ZINC000009403957	571255109	/nfs/dbraw/zinc/25/51/09/571255109.db2.gz	GNYWSCDWXLQGNT-UHFFFAOYSA-N	-1	1	424.507	4.118	50	0		HIAAMM
O=c1cc2nc(-c3ccccc3Cl)nc(SCCCOc3ccccc3)n2[n-]1	ZINC000009640803	571275727	/nfs/dbraw/zinc/27/57/27/571275727.db2.gz	JNGKZWFDLBOBDA-UHFFFAOYSA-N	-1	1	412.902	4.299	50	0		HIAAMM
O=c1cc2nc(-c3cccc(F)c3)nc(SCCOc3ccccc3Cl)n2[n-]1	ZINC000009641028	571275729	/nfs/dbraw/zinc/27/57/29/571275729.db2.gz	WMXSINAZRZPYGT-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1C	ZINC000009668817	571278392	/nfs/dbraw/zinc/27/83/92/571278392.db2.gz	XNTYNFDKIYPDMC-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2	ZINC000006779508	132315667	/nfs/dbraw/zinc/31/56/67/132315667.db2.gz	HNUAUWSFPYTLSN-AWEZNQCLSA-N	-1	1	404.557	4.205	50	0		HIAAMM
Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(C(C)C)cc1	ZINC000007496508	132324736	/nfs/dbraw/zinc/32/47/36/132324736.db2.gz	VCKPMZBBIMLEGZ-UHFFFAOYSA-N	-1	1	402.542	4.119	50	0		HIAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1	ZINC000032596830	519731965	/nfs/dbraw/zinc/73/19/65/519731965.db2.gz	SRQWMTHQBCCSRG-UHFFFAOYSA-N	-1	1	414.458	4.164	50	0		HIAAMM
CC(=O)Oc1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000020037972	519758919	/nfs/dbraw/zinc/75/89/19/519758919.db2.gz	SFDPIJVCJLPZFJ-UHFFFAOYSA-N	-1	1	402.406	4.307	50	0		HIAAMM
Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000032930128	524441785	/nfs/dbraw/zinc/44/17/85/524441785.db2.gz	PJSPNHNOKDTNPR-UHFFFAOYSA-N	-1	1	424.522	4.430	50	0		HIAAMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CCS2	ZINC000032943963	524901285	/nfs/dbraw/zinc/90/12/85/524901285.db2.gz	GTDUFZPOTMAZOE-UHFFFAOYSA-N	-1	1	422.959	4.298	50	0		HIAAMM
Cc1cc(Oc2cnccn2)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000032932317	525386538	/nfs/dbraw/zinc/38/65/38/525386538.db2.gz	WNMBBMACVVFGMM-UHFFFAOYSA-N	-1	1	409.389	4.397	50	0		HIAAMM
Cc1ccc(/C=C/C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)o1	ZINC000032833879	525953861	/nfs/dbraw/zinc/95/38/61/525953861.db2.gz	JHBGGQPCBSCLHO-JLHYYAGUSA-N	-1	1	400.431	4.180	50	0		HIAAMM
O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1cncc(Br)c1	ZINC000032101892	527141499	/nfs/dbraw/zinc/14/14/99/527141499.db2.gz	FNXJAKNRRQDQJO-UHFFFAOYSA-N	-1	1	411.215	4.005	50	0		HIAAMM
COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001061802	557164351	/nfs/dbraw/zinc/16/43/51/557164351.db2.gz	WMVQXMGPNNUWKD-UHFFFAOYSA-N	-1	1	410.495	4.365	50	0		HIAAMM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000001157871	557215569	/nfs/dbraw/zinc/21/55/69/557215569.db2.gz	RSMQBIZQXPDWSS-SXGWCWSVSA-N	-1	1	402.859	4.029	50	0		HIAAMM
COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc(OC)c1OC	ZINC000001517999	557271505	/nfs/dbraw/zinc/27/15/05/557271505.db2.gz	LRZXLCHQNDEKMY-UHFFFAOYSA-N	-1	1	420.421	4.479	50	0		HIAAMM
COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl	ZINC000004809355	557599746	/nfs/dbraw/zinc/59/97/46/557599746.db2.gz	IIJUNCGHFFGQMB-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2	ZINC000008132276	557773193	/nfs/dbraw/zinc/77/31/93/557773193.db2.gz	SOYQIBOCOXUSIJ-INIZCTEOSA-N	-1	1	417.506	4.194	50	0		HIAAMM
COc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)c1	ZINC000021663237	558445224	/nfs/dbraw/zinc/44/52/24/558445224.db2.gz	GVMVODOCHCNESH-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCC[C@@H]1c1ccccc1	ZINC000022472288	558491478	/nfs/dbraw/zinc/49/14/78/558491478.db2.gz	UGJAAGGPODHVAN-JOCHJYFZSA-N	-1	1	406.507	4.465	50	0		HIAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)NCCC1=CCCCC1	ZINC000012977782	558492251	/nfs/dbraw/zinc/49/22/51/558492251.db2.gz	QVXMKYITZFDYTC-UHFFFAOYSA-N	-1	1	411.571	4.310	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cc1	ZINC000013137140	558521470	/nfs/dbraw/zinc/52/14/70/558521470.db2.gz	RCLMUPFRVKNVNM-UHFFFAOYSA-N	-1	1	414.458	4.196	50	0		HIAAMM
O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCC[C@H]1Cc1ccccc1	ZINC000023055283	558532448	/nfs/dbraw/zinc/53/24/48/558532448.db2.gz	KHGJAUSGSAPERT-QFIPXVFZSA-N	-1	1	420.534	4.335	50	0		HIAAMM
CC[C@@H](C)Nc1cc(C(=O)NC2CCCC2)cc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014530918	558655799	/nfs/dbraw/zinc/65/57/99/558655799.db2.gz	LPXHRDAKBNFPAN-MRXNPFEDSA-N	-1	1	415.559	4.370	50	0		HIAAMM
CCOc1ccc(-c2nsc([N-]C(=O)c3ccc(Br)o3)n2)cc1OC	ZINC000027994149	558688914	/nfs/dbraw/zinc/68/89/14/558688914.db2.gz	PPZBOYZTCBKVBP-UHFFFAOYSA-N	-1	1	424.276	4.220	50	0		HIAAMM
O=C(COC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc([O-])cc1O	ZINC000028073764	558690907	/nfs/dbraw/zinc/69/09/07/558690907.db2.gz	AMXHWNNRZZFEJT-UHFFFAOYSA-N	-1	1	418.401	4.463	50	0		HIAAMM
CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000015869496	558760093	/nfs/dbraw/zinc/76/00/93/558760093.db2.gz	NPZHJZCSHOFICV-CQSZACIVSA-N	-1	1	406.935	4.087	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c1	ZINC000033115261	558761326	/nfs/dbraw/zinc/76/13/26/558761326.db2.gz	GJNNSJNREKSGBO-UHFFFAOYSA-N	-1	1	414.571	4.298	50	0		HIAAMM
CC(C)CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000033274486	558764112	/nfs/dbraw/zinc/76/41/12/558764112.db2.gz	LEQKSNDNTOQXJB-UHFFFAOYSA-N	-1	1	420.962	4.335	50	0		HIAAMM
CCOC(=O)c1sc2[n-]c([C@@H](C)OC(=O)c3cccc(Cl)c3)nc(=O)c2c1C	ZINC000016051189	558770953	/nfs/dbraw/zinc/77/09/53/558770953.db2.gz	LQJNDPSQSSSJIR-SNVBAGLBSA-N	-1	1	420.874	4.041	50	0		HIAAMM
CSc1nc2ccc(S(=O)(=O)[N-]c3cccc(C4OCCCO4)c3)cc2s1	ZINC000016248840	558780947	/nfs/dbraw/zinc/78/09/47/558780947.db2.gz	YNYUZYLRDSHSJI-UHFFFAOYSA-N	-1	1	422.553	4.255	50	0		HIAAMM
O=C(CSCc1ccccc1)Nn1c(=S)[n-]c2sc3c(c2c1=O)CCCC3	ZINC000017091197	558819726	/nfs/dbraw/zinc/81/97/26/558819726.db2.gz	KKQPNLJKYQQMQD-UHFFFAOYSA-N	-1	1	417.581	4.003	50	0		HIAAMM
Cc1ccc(Nc2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)c(C)c1	ZINC000039383688	558820605	/nfs/dbraw/zinc/82/06/05/558820605.db2.gz	KEBCMTFYZKFQLH-UHFFFAOYSA-N	-1	1	404.518	4.132	50	0		HIAAMM
CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2	ZINC000017271163	558826397	/nfs/dbraw/zinc/82/63/97/558826397.db2.gz	RCZFLZIDWFQNHL-MRXNPFEDSA-N	-1	1	417.506	4.196	50	0		HIAAMM
CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2C)s1	ZINC000033007802	558828669	/nfs/dbraw/zinc/82/86/69/558828669.db2.gz	NOHKVALEXGJFPF-UHFFFAOYSA-N	-1	1	409.920	4.326	50	0		HIAAMM
CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C)s1	ZINC000033007799	558828693	/nfs/dbraw/zinc/82/86/93/558828693.db2.gz	RUISEXQIDDEWEM-UHFFFAOYSA-N	-1	1	403.529	4.289	50	0		HIAAMM
O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1	ZINC000033130299	558886546	/nfs/dbraw/zinc/88/65/46/558886546.db2.gz	IXHLAVJDEUMISL-UHFFFAOYSA-N	-1	1	410.470	4.186	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC2CCCC2)c(OC)c1	ZINC000071328726	558896929	/nfs/dbraw/zinc/89/69/29/558896929.db2.gz	OLIPTWQPMPRJCK-BZZOAKBMSA-N	-1	1	408.454	4.060	50	0		HIAAMM
CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000033253570	558921771	/nfs/dbraw/zinc/92/17/71/558921771.db2.gz	INMSQYQOYQSVKZ-UHFFFAOYSA-N	-1	1	412.458	4.090	50	0		HIAAMM
O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2N1	ZINC000021785013	558950121	/nfs/dbraw/zinc/95/01/21/558950121.db2.gz	ABKJRDGZLNJPDT-AWEZNQCLSA-N	-1	1	417.412	4.366	50	0		HIAAMM
COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1	ZINC000097100066	558994152	/nfs/dbraw/zinc/99/41/52/558994152.db2.gz	UVDHUGYEHWEIGR-UHFFFAOYSA-N	-1	1	412.515	4.069	50	0		HIAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)NCCc1ccc(Cl)cc1	ZINC000023138040	559018541	/nfs/dbraw/zinc/01/85/41/559018541.db2.gz	UUGOMPHEROXVFS-UHFFFAOYSA-N	-1	1	413.930	4.029	50	0		HIAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)N[C@@H](C)CCc1ccccc1	ZINC000023138489	559019899	/nfs/dbraw/zinc/01/98/99/559019899.db2.gz	OQUNZGHWSDJDJW-KRWDZBQOSA-N	-1	1	421.566	4.051	50	0		HIAAMM
COc1ccccc1-c1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1	ZINC000033276419	559036187	/nfs/dbraw/zinc/03/61/87/559036187.db2.gz	YODZLOAEFCJOIB-UHFFFAOYSA-N	-1	1	407.451	4.213	50	0		HIAAMM
O=S(=O)([N-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1)c1ccccc1	ZINC000033276407	559036243	/nfs/dbraw/zinc/03/62/43/559036243.db2.gz	QTILTXCJGHZYQY-UHFFFAOYSA-N	-1	1	409.442	4.267	50	0		HIAAMM
COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1	ZINC000016393902	559077238	/nfs/dbraw/zinc/07/72/38/559077238.db2.gz	UPXGEYRZPZLJGU-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000095067891	559079131	/nfs/dbraw/zinc/07/91/31/559079131.db2.gz	RDLHZXAHDQLWSB-UHFFFAOYSA-N	-1	1	423.101	4.460	50	0		HIAAMM
Cc1nnc([N-]C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)s1	ZINC000011694438	559188143	/nfs/dbraw/zinc/18/81/43/559188143.db2.gz	PLNRFJKYDLLQLQ-UHFFFAOYSA-N	-1	1	409.446	4.003	50	0		HIAAMM
CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000137759296	559280932	/nfs/dbraw/zinc/28/09/32/559280932.db2.gz	UMMITTVSECNVIF-BHDDXSALSA-N	-1	1	416.502	4.460	50	0		HIAAMM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1ccc(F)cc1Cl	ZINC000005199040	559292360	/nfs/dbraw/zinc/29/23/60/559292360.db2.gz	AHHZIFDNYSIVCS-UHFFFAOYSA-N	-1	1	411.795	4.379	50	0		HIAAMM
CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1	ZINC000005204126	560538522	/nfs/dbraw/zinc/53/85/22/560538522.db2.gz	INZVBTOGQBIKHZ-UHFFFAOYSA-N	-1	1	412.442	4.081	50	0		HIAAMM
O=C(NCCCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1	ZINC000101828384	560802722	/nfs/dbraw/zinc/80/27/22/560802722.db2.gz	VQVLETQUBYYSHW-UHFFFAOYSA-N	-1	1	422.488	4.181	50	0		HIAAMM
CCCCc1c(C)nc2[n-]c(N(Cc3cccc(Cl)c3)C(=O)CCC)nn2c1=O	ZINC000101878483	560804265	/nfs/dbraw/zinc/80/42/65/560804265.db2.gz	SATDJYVYRDHTHR-UHFFFAOYSA-N	-1	1	415.925	4.055	50	0		HIAAMM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102708432	560820801	/nfs/dbraw/zinc/82/08/01/560820801.db2.gz	GDTWGVYKXIFMTB-YPAWHYETSA-N	-1	1	402.425	4.185	50	0		HIAAMM
CCCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2sc1=O	ZINC000046017493	568423775	/nfs/dbraw/zinc/42/37/75/568423775.db2.gz	WPUFTFXHKOGZEE-UHFFFAOYSA-N	-1	1	402.541	4.153	50	0		HIAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1	ZINC000000808499	568487302	/nfs/dbraw/zinc/48/73/02/568487302.db2.gz	GJVYROHVDCNRJZ-UHFFFAOYSA-N	-1	1	416.886	4.402	50	0		HIAAMM
O=C1C[C@@H](c2cccs2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1	ZINC000096114599	568694343	/nfs/dbraw/zinc/69/43/43/568694343.db2.gz	JNJCMEPOHZQGHQ-ZDUSSCGKSA-N	-1	1	406.415	4.374	50	0		HIAAMM
O=C1C[C@@H](c2cccs2)c2c(cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O1	ZINC000096114599	568694347	/nfs/dbraw/zinc/69/43/47/568694347.db2.gz	JNJCMEPOHZQGHQ-ZDUSSCGKSA-N	-1	1	406.415	4.374	50	0		HIAAMM
COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1	ZINC000096117296	568696783	/nfs/dbraw/zinc/69/67/83/568696783.db2.gz	JSCGZDONLPNYBY-UGSOOPFHSA-N	-1	1	417.531	4.210	50	0		HIAAMM
Cc1ccc(-c2noc([C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccccc3)n2)cc1	ZINC000096277295	568716139	/nfs/dbraw/zinc/71/61/39/568716139.db2.gz	XJZMGEDGQWUCFN-OAQYLSRUSA-N	-1	1	419.506	4.307	50	0		HIAAMM
CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc([S-])n12	ZINC000005791263	568733654	/nfs/dbraw/zinc/73/36/54/568733654.db2.gz	XLQHGPHCSKHJQY-QHCPKHFHSA-N	-1	1	402.523	4.119	50	0		HIAAMM
Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1-c1nnc(C2CCC2)o1	ZINC000096379682	568741431	/nfs/dbraw/zinc/74/14/31/568741431.db2.gz	YLJDZTPKFQYFLM-UHFFFAOYSA-N	-1	1	408.430	4.028	50	0		HIAAMM
O=C(Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1O	ZINC000000957861	568757934	/nfs/dbraw/zinc/75/79/34/568757934.db2.gz	KRMACHHQINXJKB-UHFFFAOYSA-N	-1	1	403.843	4.066	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1Br	ZINC000001090835	568769258	/nfs/dbraw/zinc/76/92/58/568769258.db2.gz	CHIGVIJKUDGMGR-UHFFFAOYSA-N	-1	1	421.110	4.021	50	0		HIAAMM
O=C(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012544933	568850093	/nfs/dbraw/zinc/85/00/93/568850093.db2.gz	HZXLCASQYXOYMH-UHFFFAOYSA-N	-1	1	418.421	4.341	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1C	ZINC000012585008	568865880	/nfs/dbraw/zinc/86/58/80/568865880.db2.gz	JBMBYXQFZZZSED-HOTGVXAUSA-N	-1	1	400.544	4.222	50	0		HIAAMM
CCCc1cc(=O)[n-]c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)n1	ZINC000012592914	568868426	/nfs/dbraw/zinc/86/84/26/568868426.db2.gz	RVCHMRIXEOXYFO-NRFANRHFSA-N	-1	1	421.522	4.397	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)cc1	ZINC000012604780	568870765	/nfs/dbraw/zinc/87/07/65/568870765.db2.gz	CWOQQUURGYVBTM-CALCHBBNSA-N	-1	1	400.544	4.222	50	0		HIAAMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)cc1	ZINC000012604781	568870863	/nfs/dbraw/zinc/87/08/63/568870863.db2.gz	CWOQQUURGYVBTM-IRXDYDNUSA-N	-1	1	400.544	4.222	50	0		HIAAMM
Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)OCCC(C)C)ccc2C)c1	ZINC000058130939	568890032	/nfs/dbraw/zinc/89/00/32/568890032.db2.gz	JXVQDYWQYNWWIJ-GOSISDBHSA-N	-1	1	418.559	4.494	50	0		HIAAMM
O=C(Cc1csc(-c2ccsc2)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000084387553	568948582	/nfs/dbraw/zinc/94/85/82/568948582.db2.gz	GOGGVKPRESFION-UHFFFAOYSA-N	-1	1	412.536	4.241	50	0		HIAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(C)csc4n3)cc2)cc1	ZINC000004249123	568954020	/nfs/dbraw/zinc/95/40/20/568954020.db2.gz	IRPRMMGQXAVVMT-UHFFFAOYSA-N	-1	1	411.508	4.375	50	0		HIAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1	ZINC000015882225	569019001	/nfs/dbraw/zinc/01/90/01/569019001.db2.gz	XMHQDAQSXONTJC-UHFFFAOYSA-N	-1	1	422.554	4.497	50	0		HIAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c1	ZINC000015882189	569019046	/nfs/dbraw/zinc/01/90/46/569019046.db2.gz	ZHVYBWWKNZHEIZ-UHFFFAOYSA-N	-1	1	422.554	4.489	50	0		HIAAMM
Cc1ccsc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000013019264	569051002	/nfs/dbraw/zinc/05/10/02/569051002.db2.gz	VQJUVGYYGIKGRL-UHFFFAOYSA-N	-1	1	422.915	4.469	50	0		HIAAMM
COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1ccco1	ZINC000524729272	569051573	/nfs/dbraw/zinc/05/15/73/569051573.db2.gz	LTNITONDPHZIHX-CYBMUJFWSA-N	-1	1	404.374	4.208	50	0		HIAAMM
CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1nnc([S-])n12	ZINC000005556063	569072019	/nfs/dbraw/zinc/07/20/19/569072019.db2.gz	GTESRDZAEQLVQP-DEOSSOPVSA-N	-1	1	416.550	4.313	50	0		HIAAMM
COc1ccc2c(c1)CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000027064059	569072376	/nfs/dbraw/zinc/07/23/76/569072376.db2.gz	TWRFGJWRCBRHKP-UHFFFAOYSA-N	-1	1	422.506	4.089	50	0		HIAAMM
CCc1nnc([N-]C(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)s1	ZINC000006748087	569108550	/nfs/dbraw/zinc/10/85/50/569108550.db2.gz	YDRCJLGQQOTIGE-UHFFFAOYSA-N	-1	1	405.936	4.397	50	0		HIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCC1	ZINC000064861983	569110531	/nfs/dbraw/zinc/11/05/31/569110531.db2.gz	TUVJLDXGJCRWRY-UHFFFAOYSA-N	-1	1	413.543	4.065	50	0		HIAAMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc21	ZINC000064951964	569132540	/nfs/dbraw/zinc/13/25/40/569132540.db2.gz	GVLOFDSSMJBYQA-UHFFFAOYSA-N	-1	1	410.948	4.298	50	0		HIAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1	ZINC000065021068	569154226	/nfs/dbraw/zinc/15/42/26/569154226.db2.gz	BCKJBHQIPXPYND-UHFFFAOYSA-N	-1	1	400.544	4.330	50	0		HIAAMM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N1C(=O)C1CCC1	ZINC000006934674	569184723	/nfs/dbraw/zinc/18/47/23/569184723.db2.gz	GFEURHAMTRDGIM-CYBMUJFWSA-N	-1	1	404.919	4.219	50	0		HIAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(CC)c1ncccc1O2	ZINC000065241584	569201736	/nfs/dbraw/zinc/20/17/36/569201736.db2.gz	FHXZDRSVSWNMFN-UHFFFAOYSA-N	-1	1	423.494	4.217	50	0		HIAAMM
CC(C)(C)c1ccc(OCCNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1	ZINC000014249123	569259220	/nfs/dbraw/zinc/25/92/20/569259220.db2.gz	JJZPFQITWIGBNS-UHFFFAOYSA-N	-1	1	416.572	4.162	50	0		HIAAMM
CSc1ccccc1NC(=O)Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1	ZINC000016851350	569266119	/nfs/dbraw/zinc/26/61/19/569266119.db2.gz	JKPLOGPNLFUCIQ-UHFFFAOYSA-N	-1	1	415.515	4.104	50	0		HIAAMM
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1	ZINC000016975066	569269836	/nfs/dbraw/zinc/26/98/36/569269836.db2.gz	JKXFJGRNLYJHCQ-UHFFFAOYSA-N	-1	1	424.503	4.325	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(C)csc4n3)c2)cc1F	ZINC000017144082	569275448	/nfs/dbraw/zinc/27/54/48/569275448.db2.gz	RXRFUKLRTQLNRQ-UHFFFAOYSA-N	-1	1	417.487	4.320	50	0		HIAAMM
O=C1[N-]C(=S)NC1=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000027474073	569323964	/nfs/dbraw/zinc/32/39/64/569323964.db2.gz	SWAHDMIFZPPKCM-VKIDYWOHSA-N	-1	1	424.529	4.388	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2C)C[C@H]1c1ccco1	ZINC000253426961	569368343	/nfs/dbraw/zinc/36/83/43/569368343.db2.gz	JUFVZLIWJMOGMK-FQEVSTJZSA-N	-1	1	423.494	4.086	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cccc(Cl)c1F	ZINC000067298691	571072598	/nfs/dbraw/zinc/07/25/98/571072598.db2.gz	SUILPOZWUPMWLI-PWXGDEFJSA-N	-1	1	416.836	4.072	50	0		HIAAMM
Cc1c(Cl)cccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@H]1CCCO1	ZINC000067298782	571072684	/nfs/dbraw/zinc/07/26/84/571072684.db2.gz	UTCSXAOBMBDJMO-WGJYXZIMSA-N	-1	1	412.873	4.241	50	0		HIAAMM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccccc1	ZINC000008609933	571093981	/nfs/dbraw/zinc/09/39/81/571093981.db2.gz	ITRNRIXZSLRZAD-UHFFFAOYSA-N	-1	1	408.527	4.325	50	0		HIAAMM
CCc1ccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000040106675	571167160	/nfs/dbraw/zinc/16/71/60/571167160.db2.gz	OQSRRADHBKXVGF-UHFFFAOYSA-N	-1	1	424.522	4.376	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)C(F)(F)F	ZINC000009090261	571220401	/nfs/dbraw/zinc/22/04/01/571220401.db2.gz	MDGANXUSLXIALJ-UHFFFAOYSA-N	-1	1	413.204	4.295	50	0		HIAAMM
Cc1cccc(OCCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)c1C	ZINC000009640972	571275718	/nfs/dbraw/zinc/27/57/18/571275718.db2.gz	MPMZZTZKMFQGJA-UHFFFAOYSA-N	-1	1	424.501	4.402	50	0		HIAAMM
COc1ccc([C@@H](CC(=O)c2ccc([O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001205891	845002232	/nfs/dbraw/zinc/00/22/32/845002232.db2.gz	XHNXCPRRKFYKMM-HSZRJFAPSA-N	-1	1	410.491	4.497	50	0		HIAAMM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@@H](C)S2	ZINC000006779506	132315704	/nfs/dbraw/zinc/31/57/04/132315704.db2.gz	PTYJPSSMEXPBMH-CQSZACIVSA-N	-1	1	418.584	4.459	50	0		HIAAMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21	ZINC000032943900	519635896	/nfs/dbraw/zinc/63/58/96/519635896.db2.gz	IXBPXWKZNKBWLL-JTQLQIEISA-N	-1	1	414.911	4.127	50	0		HIAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1	ZINC000032944020	523996007	/nfs/dbraw/zinc/99/60/07/523996007.db2.gz	NVJSKTASNCGQQP-CQSZACIVSA-N	-1	1	416.568	4.287	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)c(OC)c1	ZINC000000876711	557108277	/nfs/dbraw/zinc/10/82/77/557108277.db2.gz	VFTQMEMIHPBYLO-BZZOAKBMSA-N	-1	1	417.421	4.035	50	0		HIAAMM
CCOc1ccccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NCc1ccco1	ZINC000000876803	557108524	/nfs/dbraw/zinc/10/85/24/557108524.db2.gz	ZATGMRDFVUYGKI-BZZOAKBMSA-N	-1	1	404.422	4.293	50	0		HIAAMM
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[O-])C1c3ccccc3C2c2ccccc21	ZINC000000991273	557134811	/nfs/dbraw/zinc/13/48/11/557134811.db2.gz	FFLXUMCMWNUNIA-UJKMTWAASA-N	-1	1	401.849	4.442	50	0		HIAAMM
O=C(NCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000001161666	557218813	/nfs/dbraw/zinc/21/88/13/557218813.db2.gz	DFVRJHFYDRTOMO-UHFFFAOYSA-N	-1	1	400.887	4.071	50	0		HIAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(Cl)c(Cl)c1	ZINC000001217296	557246638	/nfs/dbraw/zinc/24/66/38/557246638.db2.gz	VYDZKHXUNLJITM-UHFFFAOYSA-N	-1	1	406.294	4.475	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c1	ZINC000002627272	557359773	/nfs/dbraw/zinc/35/97/73/557359773.db2.gz	TWWGRWZMDWBUHI-UHFFFAOYSA-N	-1	1	424.478	4.085	50	0		HIAAMM
Cc1ccc(C(=O)NCCSC(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000002876424	557417256	/nfs/dbraw/zinc/41/72/56/557417256.db2.gz	LSQSIHORZDLDIP-UHFFFAOYSA-N	-1	1	406.573	4.057	50	0		HIAAMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1	ZINC000012794037	558467470	/nfs/dbraw/zinc/46/74/70/558467470.db2.gz	HMCPXXDHVLFQDE-CYBMUJFWSA-N	-1	1	402.470	4.462	50	0		HIAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000013572649	558542356	/nfs/dbraw/zinc/54/23/56/558542356.db2.gz	JRGGAEZTUNBULZ-UHFFFAOYSA-N	-1	1	407.344	4.277	50	0		HIAAMM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NC1CCCCCC1	ZINC000013987847	558610797	/nfs/dbraw/zinc/61/07/97/558610797.db2.gz	MLMFCTOYFKZLFG-MRXNPFEDSA-N	-1	1	421.390	4.135	50	0		HIAAMM
CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(=O)[n-]1	ZINC000024776008	558612376	/nfs/dbraw/zinc/61/23/76/558612376.db2.gz	AQCLHBQOVMPOQL-UHFFFAOYSA-N	-1	1	414.556	4.112	50	0		HIAAMM
COc1ccccc1S(=O)(=O)Nc1cc(F)c(OC2CCCCC2)cc1C(=O)[O-]	ZINC000072301051	558750905	/nfs/dbraw/zinc/75/09/05/558750905.db2.gz	NQSLPNNJAWWNEI-UHFFFAOYSA-N	-1	1	423.462	4.045	50	0		HIAAMM
CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000015869497	558760150	/nfs/dbraw/zinc/76/01/50/558760150.db2.gz	NPZHJZCSHOFICV-AWEZNQCLSA-N	-1	1	406.935	4.087	50	0		HIAAMM
O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(Br)cc1	ZINC000033752020	558771234	/nfs/dbraw/zinc/77/12/34/558771234.db2.gz	APHRFSMODJTUFK-UHFFFAOYSA-N	-1	1	409.074	4.152	50	0		HIAAMM
O=C1CS[C@@H](c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)N1c1ccccc1	ZINC000035908789	558795925	/nfs/dbraw/zinc/79/59/25/558795925.db2.gz	CCNGGIMXUOSSRP-NRFANRHFSA-N	-1	1	410.520	4.266	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)N1CCCC1	ZINC000016651373	558798044	/nfs/dbraw/zinc/79/80/44/558798044.db2.gz	HQOCSKXYRHTKIP-UHFFFAOYSA-N	-1	1	404.557	4.062	50	0		HIAAMM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCCCC1	ZINC000016651925	558798201	/nfs/dbraw/zinc/79/82/01/558798201.db2.gz	CIYQYKNEXMWVCO-UHFFFAOYSA-N	-1	1	404.557	4.144	50	0		HIAAMM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C)s1	ZINC000033007704	558828534	/nfs/dbraw/zinc/82/85/34/558828534.db2.gz	XLNIHPISEAAZBZ-UHFFFAOYSA-N	-1	1	403.529	4.371	50	0		HIAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1-c1noc(C(C)(C)C)n1	ZINC000033013414	558833689	/nfs/dbraw/zinc/83/36/89/558833689.db2.gz	ILLTVZKKQOPIHI-UHFFFAOYSA-N	-1	1	415.515	4.460	50	0		HIAAMM
O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000068755631	558865010	/nfs/dbraw/zinc/86/50/10/558865010.db2.gz	FBRJXIUXVPHIGY-UHFFFAOYSA-N	-1	1	416.296	4.481	50	0		HIAAMM
COc1ccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1	ZINC000033122822	558879307	/nfs/dbraw/zinc/87/93/07/558879307.db2.gz	SSMKSFWDGDLZCC-UHFFFAOYSA-N	-1	1	421.478	4.137	50	0		HIAAMM
O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)on2)o1	ZINC000033263877	558961529	/nfs/dbraw/zinc/96/15/29/558961529.db2.gz	ZGYJSELVWGQYQH-UHFFFAOYSA-N	-1	1	406.769	4.085	50	0		HIAAMM
O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1ccncc1	ZINC000033676886	559227994	/nfs/dbraw/zinc/22/79/94/559227994.db2.gz	MSNPSHZWVZCSIY-UHFFFAOYSA-N	-1	1	422.293	4.442	50	0		HIAAMM
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1	ZINC000018010782	560753059	/nfs/dbraw/zinc/75/30/59/560753059.db2.gz	ZJGYCTPYSNYSNS-VSKRKVRLSA-N	-1	1	402.425	4.185	50	0		HIAAMM
Cc1ccc(-n2nc3c4cc(C(=O)N5CCCCC5)ccc4[n-]cc-3c2=O)cc1C	ZINC000101282141	560790519	/nfs/dbraw/zinc/79/05/19/560790519.db2.gz	XPIBVRATVWATOW-UHFFFAOYSA-N	-1	1	400.482	4.062	50	0		HIAAMM
C[C@H]1CCCN(C(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1	ZINC000101827706	560802468	/nfs/dbraw/zinc/80/24/68/560802468.db2.gz	IZXBFIZXFDTZBA-AWEZNQCLSA-N	-1	1	420.900	4.344	50	0		HIAAMM
CC(C)CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1	ZINC000049421117	568450612	/nfs/dbraw/zinc/45/06/12/568450612.db2.gz	SHHADAOYBKVXGQ-KRWDZBQOSA-N	-1	1	424.570	4.030	50	0		HIAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1	ZINC000000631091	568456467	/nfs/dbraw/zinc/45/64/67/568456467.db2.gz	UJQNMNBTHKQQJN-IAGOWNOFSA-N	-1	1	400.544	4.222	50	0		HIAAMM
Cc1nc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)ccc2o1	ZINC000022131580	568475753	/nfs/dbraw/zinc/47/57/53/568475753.db2.gz	KTUQVHOAGOPJCS-UHFFFAOYSA-N	-1	1	407.451	4.189	50	0		HIAAMM
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1O	ZINC000095477638	568631318	/nfs/dbraw/zinc/63/13/18/568631318.db2.gz	YWKHDSFZXZXVLQ-SUMWQHHRSA-N	-1	1	403.504	4.319	50	0		HIAAMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(-c3ccno3)cc1)[nH]c1c2C(=O)CCC1	ZINC000020990320	568655678	/nfs/dbraw/zinc/65/56/78/568655678.db2.gz	ZEWIZGSOZFUIST-UHFFFAOYSA-N	-1	1	421.478	4.451	50	0		HIAAMM
Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(O)cc5)coc-4c32)o1	ZINC000096114414	568693874	/nfs/dbraw/zinc/69/38/74/568693874.db2.gz	LOCDWFDMOXEKNU-CQSZACIVSA-N	-1	1	404.374	4.214	50	0		HIAAMM
COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)cc(I)c1O	ZINC000229912474	568716054	/nfs/dbraw/zinc/71/60/54/568716054.db2.gz	JZAASMHKFMEDIL-DZGCQCFKSA-N	-1	1	401.288	4.160	50	0		HIAAMM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000003355029	568886540	/nfs/dbraw/zinc/88/65/40/568886540.db2.gz	IVTUKFSSOYFIDY-UHFFFAOYSA-N	-1	1	408.676	4.441	50	0		HIAAMM
CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1	ZINC000031776328	568931005	/nfs/dbraw/zinc/93/10/05/568931005.db2.gz	SVMFOKCFVMTHFT-UHFFFAOYSA-N	-1	1	413.735	4.211	50	0		HIAAMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Br)c2)c1	ZINC000012761439	568945754	/nfs/dbraw/zinc/94/57/54/568945754.db2.gz	GFZBJBSIKAVVPK-UHFFFAOYSA-N	-1	1	403.305	4.317	50	0		HIAAMM
COc1cc(-c2nc3c(c(=O)[n-]2)Cc2c(ccc4ccccc42)O3)cc(OC)c1OC	ZINC000004169850	568948033	/nfs/dbraw/zinc/94/80/33/568948033.db2.gz	VZTDLJLPGJNYFI-UHFFFAOYSA-N	-1	1	416.433	4.312	50	0		HIAAMM
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc2S1	ZINC000015730562	568981117	/nfs/dbraw/zinc/98/11/17/568981117.db2.gz	GZTCPNBCQTVKEW-ZDUSSCGKSA-N	-1	1	402.541	4.189	50	0		HIAAMM
C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2NC1=O	ZINC000015730611	568981189	/nfs/dbraw/zinc/98/11/89/568981189.db2.gz	FPGMYNGMGQSHEH-SNVBAGLBSA-N	-1	1	416.446	4.187	50	0		HIAAMM
Cc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1[N+](=O)[O-]	ZINC000035167216	569001534	/nfs/dbraw/zinc/00/15/34/569001534.db2.gz	VNTNGCLJDRCIGK-NVNXTCNLSA-N	-1	1	400.437	4.452	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1	ZINC000085664659	569006594	/nfs/dbraw/zinc/00/65/94/569006594.db2.gz	MFQRTMIEHLNAOQ-UHFFFAOYSA-N	-1	1	417.434	4.357	50	0		HIAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1	ZINC000015936564	569023543	/nfs/dbraw/zinc/02/35/43/569023543.db2.gz	BEQLDPRWCAQBHT-UHFFFAOYSA-N	-1	1	411.483	4.287	50	0		HIAAMM
CC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000035684035	569049056	/nfs/dbraw/zinc/04/90/56/569049056.db2.gz	BQIGKIWMIQHJNN-HSZRJFAPSA-N	-1	1	419.506	4.185	50	0		HIAAMM
CCc1cccc(CC)c1NC(=O)c1cc(C(=O)c2cc(C)ccc2[O-])coc1=N	ZINC000006489974	569059611	/nfs/dbraw/zinc/05/96/11/569059611.db2.gz	WAMLXKFKIXKZSF-UHFFFAOYSA-N	-1	1	404.466	4.381	50	0		HIAAMM
O=S(=O)([N-]c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1)c1ccccc1	ZINC000006498763	569061430	/nfs/dbraw/zinc/06/14/30/569061430.db2.gz	QWMWFJCNXBNLIF-UHFFFAOYSA-N	-1	1	418.272	4.386	50	0	aggregator	HIAAMM
CCCc1cc(=O)[n-]c(SCc2csc(N(C(C)=O)c3ccccc3)n2)n1	ZINC000006907398	569178494	/nfs/dbraw/zinc/17/84/94/569178494.db2.gz	IXYPWTKNJYYISV-UHFFFAOYSA-N	-1	1	400.529	4.156	50	0		HIAAMM
CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1	ZINC000065115762	569179686	/nfs/dbraw/zinc/17/96/86/569179686.db2.gz	KVHTXSWNXRHFOP-UHFFFAOYSA-N	-1	1	413.499	4.334	50	0		HIAAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc32)ccc1C	ZINC000002262861	569325425	/nfs/dbraw/zinc/32/54/25/569325425.db2.gz	WKEQDKRGLWEWHS-UHFFFAOYSA-N	-1	1	405.479	4.008	50	0		HIAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c2cccnc12	ZINC000002455833	569409738	/nfs/dbraw/zinc/40/97/38/569409738.db2.gz	OGZLSDWDTNNYBP-UHFFFAOYSA-N	-1	1	407.289	4.197	50	0		HIAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)cc1	ZINC000067297855	571072057	/nfs/dbraw/zinc/07/20/57/571072057.db2.gz	RQJARDDXQALWFD-BZZOAKBMSA-N	-1	1	401.422	4.335	50	0		HIAAMM
O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1cc(F)ccc1Cl	ZINC000067298675	571072643	/nfs/dbraw/zinc/07/26/43/571072643.db2.gz	MQAJHTXPOBRVGH-RPKJYVOXSA-N	-1	1	416.836	4.072	50	0		HIAAMM
CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)ccc1F	ZINC000040152690	571200267	/nfs/dbraw/zinc/20/02/67/571200267.db2.gz	UDJAXEAXNXKGBX-UHFFFAOYSA-N	-1	1	411.458	4.230	50	0		HIAAMM
CCCN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O	ZINC000009167541	571233120	/nfs/dbraw/zinc/23/31/20/571233120.db2.gz	CAYOOINBCXLJRD-UHFFFAOYSA-N	-1	1	422.934	4.302	50	0		HIAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C3CC3)c2)cc1	ZINC000009217073	571237580	/nfs/dbraw/zinc/23/75/80/571237580.db2.gz	BNDBIVOFMRMKGD-ZDUSSCGKSA-N	-1	1	422.934	4.068	50	0		HIAAMM
O=c1cc2nc(-c3ccccc3)nc(SCc3ccc(Br)cc3)n2[n-]1	ZINC000009640568	571275615	/nfs/dbraw/zinc/27/56/15/571275615.db2.gz	TYTFHMKNCZIDPJ-UHFFFAOYSA-N	-1	1	413.300	4.139	50	0		HIAAMM
O=c1cc2nc(-c3ccc(F)cc3)nc(SCCOc3ccccc3Cl)n2[n-]1	ZINC000009641137	571275711	/nfs/dbraw/zinc/27/57/11/571275711.db2.gz	APFGLYVOGKWSAQ-UHFFFAOYSA-N	-1	1	416.865	4.048	50	0		HIAAMM
Cc1cc(C)cc(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)c1	ZINC000009640945	571275809	/nfs/dbraw/zinc/27/58/09/571275809.db2.gz	QAGSFETWNAUEAK-UHFFFAOYSA-N	-1	1	410.474	4.012	50	0		HIAAMM
O=c1cc2nc(-c3cccs3)nc(SCc3ccc(Br)cc3)n2[n-]1	ZINC000009641436	571275921	/nfs/dbraw/zinc/27/59/21/571275921.db2.gz	QZNACTXIVGASSY-UHFFFAOYSA-N	-1	1	419.329	4.201	50	0		HIAAMM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)nn1	ZINC000009715028	571281568	/nfs/dbraw/zinc/28/15/68/571281568.db2.gz	OLOPZUQXOKDUBU-UHFFFAOYSA-N	-1	1	405.479	4.496	50	0		HIAAMM
COc1ccc(C)cc1CN(C)C(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S	ZINC000009918776	571290245	/nfs/dbraw/zinc/29/02/45/571290245.db2.gz	MRBKPJCHQSBYJW-UHFFFAOYSA-N	-1	1	410.543	4.282	50	0		HIAAMM