smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456740	WWXLKKHAKXHQCP-MCEYFSPLSA-N	401.575	6.895	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458154	KMVMOLSYJMJQBN-WCYRKSIYSA-N	414.593	6.455	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477002	MRWYCNKYAOHQHG-PJSUUKDQSA-N	423.365	5.070	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543517	MREHLOVIHPELOE-PNIUZAESSA-N	411.545	6.533	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544071	WOTIECYRRABEPG-ISJBWFOZSA-N	413.517	6.242	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)s1	20689533	IVIDYALFOBLMIH-DNRQZRRGSA-N	403.547	6.341	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@H](c3cccc4ccccc34)[C@@H]2C1	20698958	LHWVDCKLQWMYCU-IHTKTJBKSA-N	403.525	7.245	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20699852	CBRTXQZWYYPPBN-RQTOMXEWSA-N	417.936	6.624	10	10	HKCE	
COc1ccc(-n2c(CCC(=O)N3CC=CC3)ccc2-c2ccc(Cl)cc2)cc1	34915625	RNPBXYUKVPFLPY-UHFFFAOYSA-N	406.913	5.137	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	54620184	NGBKEDMKVZMOEQ-RUZDIDTESA-N	413.521	6.024	10	10	HKCE	
CC(C)(C)c1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1	59425996	YSCGDIPWARTZAQ-JXAWBTAJSA-N	404.893	6.879	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1cccc(Cl)c1	101112993	GALVAECHWXNALZ-MDWZMJQESA-N	415.107	6.019	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226843728	VCAJWODFRMOANX-PNCHPQGNSA-N	402.365	7.245	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@@H]21	226856070	ORVHEXYGBUMFDL-OHUGHZGNSA-N	402.538	5.538	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226883495	DIOQDDZAMMVPOX-SYJLOODJSA-N	405.929	6.386	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226900287	JRJTUXUSVXTPNF-YTZAWJCFSA-N	416.392	7.779	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c1	1084540354	KIPRJYOALZITBJ-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858588503	JPJCMIXHRRLUQR-PRDLHCJTSA-N	412.407	6.019	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1OCC	1865670038	FLTIQTDFPIFNQO-XMHGGMMESA-N	412.917	5.329	10	10	HKCE	
CCN1N=C(C(F)(F)F)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O	1865674721	UPECTAIYTDUVOH-ZHZULCJRSA-N	424.422	5.583	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccccc1F	1865679036	QYFIVUBYICBKJQ-ZHZULCJRSA-N	424.397	5.675	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1	1873522023	FTARXJMKTNCFFL-UHFFFAOYSA-N	417.556	6.778	10	10	HKCE	
CC(C)n1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc21	1874179702	LNKBXPYFAVPZSB-UHFFFAOYSA-N	408.457	5.250	10	10	HKCE	
CC[C@H](N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2127785554	APLNZNPLGXFEBM-PBEJRMEISA-N	417.391	5.106	10	10	HKCE	
CN(CC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C)C(=O)OC(C)(C)C	2296045295	KUIJITVSFKEDCK-MRXNPFEDSA-N	419.393	5.460	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323681499	VGCWWICOJATJSN-AOLWHUPESA-N	422.413	5.475	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2CCC)cc1	2332114760	NRWKZSSGTXEZJI-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O	2986231	VEPQWFNWAGWQAV-MHWRWJLKSA-N	424.374	5.446	10	10	HKCE	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3ccccc3)cc2)C1	6782057	WVDBFSQIMKMUGS-OAQYLSRUSA-N	420.556	6.199	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457943	HJCSCNGVPBNESZ-MRCUYLHHSA-N	414.593	6.310	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476842	FDPAMBOCNZZHEX-UMTXDNHDSA-N	424.544	5.842	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544312	GVVVYBGUVWTBBV-KCPMXOJXSA-N	412.533	5.815	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703220	CUGCSBMTGUAMIL-XLGIIRLISA-N	413.517	6.109	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710450	HIBPMWQPQLGAGG-KYTVRQNUSA-N	412.489	6.309	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1	33342705	PTMVTEPPZDMRRN-UNOMPAQXSA-N	420.852	5.724	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc1	35126725	CCTJQBOKBVOLIZ-LDADJPATSA-N	411.889	5.001	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1C	59378454	KRPDPAYENXKWCQ-CAOOACKPSA-N	423.390	5.881	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c(O)c1	1084229925	VJKYELFVKRYICN-WQRHYEAKSA-N	418.971	5.298	10	10	HKCE	
COc1ccc2c(Cl)c(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)sc2c1	1084304049	CYXXARXKRBQTOB-UHFFFAOYSA-N	421.909	7.231	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	1860086181	OUEZXZITPDRXGL-CXUHLZMHSA-N	420.353	5.172	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CCC)cc1	1865668534	CXTIPPMREFAMOT-NBVRZTHBSA-N	414.908	5.850	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccn2C)cc1	1865670869	WQFWTTYGBREMSO-HAVVHWLPSA-N	407.473	5.021	10	10	HKCE	
CCc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1	1872741062	JTWUCIDZGLADHU-QGZVFWFLSA-N	412.537	5.349	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915365978	FIUZVQDQHAPPMM-HNNXBMFYSA-N	401.373	5.737	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2095814015	OMMVFEVZQSCWDH-UHFFFAOYSA-N	414.343	5.744	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)sc1Br	2202286656	IPMLWDODMWDULJ-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)ccc1O	2321698300	UQUXOZDNZKBOCO-UHFFFAOYSA-N	407.516	5.350	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)c1	2323743664	OVEJPJUYHBHLCA-UHFFFAOYSA-N	417.640	6.570	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330193840	MSCCSGBJQVWAAC-UHFFFAOYSA-N	415.497	5.309	10	10	HKCE	
CC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cccc(Br)c1	2332097980	LGHLLYJHMWYPJG-UHFFFAOYSA-N	407.670	5.043	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1Cl	2332104158	ODWBFSRPOSNYJD-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1	3182652	CHUULZGFMHQZDK-MOHJPFBDSA-N	424.500	5.108	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21	14463343	SKJYQIUEEUDETF-HFMPRLQTSA-N	404.554	5.403	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1	35351574	GUHPASDXFULSIR-HMMYKYKNSA-N	424.591	5.178	10	10	HKCE	
O=C1S/C(=C\c2ccc3noc(-c4ccccc4)c3c2)C(=S)N1c1ccccc1	35515935	HPZISDONKAOCQT-ZHZULCJRSA-N	414.511	6.537	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3cccs3)c(O)c2n1	54619513	RHZMPZJJCKIDPU-FQEVSTJZSA-N	414.452	6.531	10	10	HKCE	
COc1ccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621710	NARIXDPBMJSXGT-OAQYLSRUSA-N	405.885	5.507	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526246908	RGSWFZNGOGKUOY-DEOSSOPVSA-N	416.496	5.566	10	10	HKCE	
CC1=C[C@@H](N=Nc2ccccc2[N+](=O)[O-])C(=N)[C@H](N=Nc2ccccc2[N+](=O)[O-])C1=N	585341671	GMJVNQZGAAVHPY-AUUYWEPGSA-N	420.389	5.107	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)c(O)c1	1865664737	WVCFDULVMLGHQH-OQLLNIDSSA-N	419.308	5.290	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677606	TUDAGDGBIARTPR-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1	1865873831	FROJPBGYLQMGIB-KCFSFPSPSA-N	423.645	5.002	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915372202	FUZUWHGQARLGKH-INIZCTEOSA-N	415.400	5.998	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2034823152	RADRFHWODJSZAV-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CC(C)(C)OC(=O)N1C[C@@](C)(CNCc2cc(Cl)cc(Cl)c2O)CC1(C)C	2236744072	HLGNXOBJGGZDBT-HXUWFJFHSA-N	417.377	5.214	10	10	HKCE	
CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccc3ccccc3c2)cc1	2295902694	SRPSRHNQURHNIW-UHFFFAOYSA-N	417.512	5.775	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	2297305932	NUYAQJFXSJWDFC-UHFFFAOYSA-N	419.358	5.485	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2313609781	MZRJPZHZCPWCMD-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S	2314927122	ZYELMEABUOFJHT-UHFFFAOYSA-N	409.548	5.232	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321602867	HNGYTJMLTFDWIG-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	2321672167	ZAYOJCPMVQKRCS-UHFFFAOYSA-N	408.470	5.177	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	2321692951	WBPVWYICXLBYPD-UHFFFAOYSA-N	410.564	5.091	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3F)C2=O)cc1OCC	2321755922	WLIDYKJDKNVLSS-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
CCCCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2CCC)cc1OC	2332114598	WESMXXHTJYAZPN-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c2ccccc21	2332128848	KFHFHVBUBOIQKE-UHFFFAOYSA-N	409.464	5.148	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332134529	HDDKBQAGBHLDHF-UHFFFAOYSA-N	411.339	5.097	10	10	HKCE	
Cc1ccc(CN(C)c2sc(Br)c(C)c2C)c(O)c1Br	2380754363	PKIKSXSBRKHNMA-UHFFFAOYSA-N	419.182	5.540	10	10	HKCE	
O=C1/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1	1746212	OGSXRAQJSNLIAK-VOANPMSRSA-N	420.874	5.262	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458406	KWNUQJYKRSAFEU-WRALFONMSA-N	422.594	5.242	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1Cl	14477159	QRLXZMYXDGTESD-JHQQDIAJSA-N	416.348	6.378	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2c(OC[C@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14547014	NGKJMTLLGWFGTD-QWZWQZMISA-N	416.348	6.378	10	10	HKCE	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1	35263095	FHWDXDSIZBPBGY-XYGWBWBKSA-N	421.500	5.340	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1	39859249	IBVCZQPLXQBVHD-MOSHPQCFSA-N	404.516	5.204	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21	226714487	ZKEBVPVJSHRRFT-BWACUDIHSA-N	421.132	5.744	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1	226910986	LQXNSKYZNIYUML-UQWVPHONSA-N	420.578	5.144	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	251223278	ITXABGMGUREIJO-RAFPRUQASA-N	414.574	6.374	10	10	HKCE	
CC(C)(O)C1=C[C@H]2[C@@H](C=C1)N(Cc1ccccc1)c1ccc(C(C)(C)O)cc1C2(C)C	1848434530	LSZQKAHASSYJCM-LADGPHEKSA-N	417.593	5.464	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	1865678366	IRPFVWPJTZYPBU-ZSOIEALJSA-N	413.226	5.646	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1	1865679632	XILYWLKMHAUDML-NKFKGCMQSA-N	404.469	5.683	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(Br)c1	1915466649	QKAVSARDGRMIQJ-IBGZPJMESA-N	417.391	5.133	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCOCC2)cc1Br	2095835725	IMIQBRUJEUXBQX-QGZVFWFLSA-N	417.391	5.163	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCOCC2)c(Br)c1	2095837987	XXXXWFQAPMRVRK-QGZVFWFLSA-N	417.391	5.163	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccccc3)o2)SC1=S	2297561047	HNWKFPXFHZCXSO-UHFFFAOYSA-N	409.557	6.145	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1	2321710505	ILRNTRMEAHBCEY-UHFFFAOYSA-N	411.592	6.395	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332103833	CQXUCGQNHWJDNW-UHFFFAOYSA-N	400.092	6.106	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2332128092	PSYKZYKYMRPCAI-UHFFFAOYSA-N	421.500	5.315	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(C)cc2)N=C1c1ccccc1	2332133089	BIRCCTCREIUAFE-UHFFFAOYSA-N	410.517	5.614	10	10	HKCE	
Cc1ccc(CN(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(O)c1Br	2352647543	DXZVQPCHUWEVBN-GHTZIAJQSA-N	418.375	5.279	10	10	HKCE	
CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1	4729919	UADYKNRNHNUSLE-XUZZJYLKSA-N	414.977	6.265	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13636046	UINANLCAMGVKMV-PPJWLVRDSA-N	413.517	5.980	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc(Cl)c4[C@H]4C=CC[C@@H]43)ccc21	13642752	ZOAFEALLCNOUAF-OSOCVKALSA-N	412.964	7.603	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463598	UDZAJXPAWKIMIR-XFAFFCHDSA-N	408.545	6.889	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465724	WHQKUPZUXJQWNG-SLSDLSHTSA-N	414.936	6.443	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21)C1CCCCC1	14466302	OUANEEOYRIOZGH-AXHZCLLHSA-N	420.984	6.571	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477561	ITHICTYULOQTJV-BXTJHSDWSA-N	423.365	5.070	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccc(C)c2)[C@H]2CC=C[C@H]32)cc1	14480129	VDAQZOPZRCPGFG-JCYRPKCISA-N	424.544	6.473	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14545716	FIJLBDHDYOVMND-JWZKTCGFSA-N	417.593	7.261	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccnc2)[C@@H]2CC=C[C@H]32)cc1	14547444	HGNNSUOJJXSWSL-YZUZCNPQSA-N	411.505	5.559	10	10	HKCE	
CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1	53364841	KZCJJZRQAGPNKE-DHLKQENFSA-N	402.494	5.022	10	10	HKCE	
Cc1ccc2[nH]c(C)c(/C=C3\C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)c2c1	102464896	BMIGRDZGFMQMRY-SMESXNLSSA-N	416.481	5.228	10	10	HKCE	
O=[N+]([O-])c1ccc2c(/N=N/c3c(O)ccc4ccccc34)ccc(S(=O)(=O)O)c2c1	111333813	KAQACUKRKZLBKF-QURGRASLSA-N	423.406	5.269	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1O	226714853	SVKPGLDJNLQZFE-RNHFSVANSA-N	412.489	5.480	10	10	HKCE	
CCc1ccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)cc1	1857850395	KWPIVEZDEVVPRT-UHFFFAOYSA-N	416.615	7.055	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	1865674902	DPAZHVNPBFPSHS-ZHZULCJRSA-N	421.327	6.390	10	10	HKCE	
CCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871058729	JMPWIIHJGMYNHY-UHFFFAOYSA-N	403.526	5.569	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4cccc(C)c4)ccc3[nH]2)cc1	1872737473	PUMKONPPKHHGIM-UHFFFAOYSA-N	412.537	5.315	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)Nc1cc(C(F)(F)F)ccc1F	1891608914	ZXEQXGHMNFQJQX-YOEHRIQHSA-N	407.411	5.155	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(C(=O)O)c2Br)C2(C)CC2)cc1C	2079953117	SCKDSFBNXPNYNY-KRWDZBQOSA-N	421.335	5.179	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@H](C)O)c(Br)c1	2157014961	AXCYCOVODMJAAD-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
CNCc1ccc(N(C)[C@H](C)c2cc(Br)cs2)c(Br)c1	2186574009	SHHBTMFRFMSXMS-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)C1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	2297100845	XCHQAJQSFJYMFZ-UHFFFAOYSA-N	404.554	6.102	10	10	HKCE	
O=C1C(=Cc2ccccc2)SC(=S)N1CNc1ccc(Oc2ccccc2)cc1	2297531772	YLNSVOUMIGVBAO-UHFFFAOYSA-N	418.543	5.750	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl	2321591282	PHBGDHKUBDTBML-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@H]4CCCC[C@H]4C)C3=O)n12	2323790869	QLRQWGXMGWJMIM-KOLCDFICSA-N	412.005	5.138	10	10	HKCE	
O=C1C(=Cc2ccncc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332129527	LJYONPOVEJDSNH-UHFFFAOYSA-N	408.288	5.219	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)c(Br)c1Cl	2362157568	SFGCVQFBBFWKLE-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635388	CETOZJMDAAEUML-AWRGLXIESA-N	402.538	5.584	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c1	14475857	HGLCRCDCTRJZDU-YAXFVEMYSA-N	411.672	6.087	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14479094	WTWFXZYGFOYKLN-VYKTZEHYSA-N	408.545	6.393	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548312	JQGRMXPUZQUUCM-GPNHVJLWSA-N	412.533	5.900	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2cc(Br)ccc2Br)c1	37121750	FMHZKQSAJHJWSQ-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	250800334	DOEDBGLTFHOYMH-DPLHUUCSSA-N	408.567	5.124	10	10	HKCE	
O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(N=Nc2ccccc2)cc1	254712411	DCVGXXUONMVCRX-UHFFFAOYSA-N	409.445	6.051	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	526306581	ASUVJLSLIUMBIJ-HXUWFJFHSA-N	410.926	5.525	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526321897	HIXHHORXKITICB-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
Cc1cc(Br)c(NCc2ccc(Br)cc2O)cc1Cl	691410507	KGYSNMMQISWYPS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1cc(Br)cc(F)c1O	715812248	JMHJDRSJHWOMKN-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H](C)c2cscc2Br)cc1Br	2186631288	VTPREOCLPMDRBF-ZJUUUORDSA-N	419.182	5.524	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	2294623562	ATKBNSXCEOASEW-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1C	2297452743	DUMLYCNLIWSTJA-UHFFFAOYSA-N	416.904	6.517	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(F)c(F)c2)SC1=S	2321635551	KETPFUJBEAXQOW-UHFFFAOYSA-N	411.882	5.341	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	2321684671	FUISWWKEHUOWHP-UHFFFAOYSA-N	423.607	5.149	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1Br	2321699108	CLZDUNIWQNFFJQ-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	2332104775	QKYLIBFPOYSQAU-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Oc1ccc(Br)cc1/N=N/c1ccc(I)cc1	5714788	OOPDZNPERXYEHT-FOCLMDBBSA-N	403.017	5.175	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640657	QROANNOMOQOTJM-JXQFQVJHSA-N	408.542	5.385	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14466998	YIQWBVSBAAGPPJ-IUKKYPGJSA-N	423.343	7.269	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478794	IGVXOLCPDJCEBN-VXJMNVAESA-N	408.545	6.313	10	10	HKCE	
C[C@H](N/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1	104176352	HDLBYRNZZOZVLE-IMGOXIFKSA-N	424.529	5.282	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226692105	SUETYOAGRYBKEL-UMFSSWHCSA-N	418.537	6.771	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226878392	YMMJJUCSHZLBFB-UNKHORCTSA-N	406.526	5.059	10	10	HKCE	
COc1ccc(NCc2c(O)cccc2Br)cc1NC(=O)OC(C)(C)C	706809507	CEFRZNQIACKYDZ-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(C3CCCCCC3)C2=O)cc1OCC	1858586776	TXJQVSGGJUPDHL-XMHGGMMESA-N	405.585	5.408	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c(OC)c1	1860085017	GGXATNLMPLNYTP-XDHOZWIPSA-N	413.564	5.407	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1	1865677852	GKEQOZGHKYHOOL-JCMHNJIXSA-N	411.461	5.042	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(Br)c1Cl	1891102787	GOUFKERIMMMLDB-HOCLYGCPSA-N	419.750	5.021	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2034812550	DVGOZONWFPTMJC-KRWDZBQOSA-N	401.392	5.752	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079997444	CSSAZZUVVNHQMG-LJQANCHMSA-N	403.320	5.047	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2095949880	QTDBNCGWKORPEM-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
COc1cc(C=C2SC(N3CCCCCC3)=NC2=O)ccc1OCc1ccccc1	2294407125	OQILVLJEUFVCIQ-UHFFFAOYSA-N	422.550	5.121	10	10	HKCE	
CC[C@H](C)c1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1	2297335312	UAGWMVZZCFOGHA-HNNXBMFYSA-N	413.564	5.147	10	10	HKCE	
C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccc(N(C)C)cc1	2313504780	UZGVMJTZLSHECX-NLFFAJNJSA-N	411.549	5.744	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	2321684633	BBIQWDVGVBZRDA-UHFFFAOYSA-N	408.592	5.645	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OCC	2332113999	HFOJQCJMZHQKBS-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332122285	MSIKBZANWNEUJS-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132362	BCKOLSMFMZSLLQ-UHFFFAOYSA-N	417.896	5.510	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1	3322373	VORHRATUNKWTOT-HAHDFKILSA-N	416.908	5.711	10	10	HKCE	
COc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1	9228603	NIPMATPZDJECAJ-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	14544656	ADFXOXFARVPWJV-AGKSTNPPSA-N	412.274	5.599	10	10	HKCE	
O=C1/C(=C/C(Br)=C\c2ccccc2)SC(=S)N1c1ccccc1	33908416	MITHORDOJMFMMW-YUTYINLDSA-N	402.338	5.371	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)c(Br)c1	103398501	XPIWUPFVJAKCBY-HMMYKYKNSA-N	417.306	5.592	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)ccc1F	1860085383	HWGICBSIZVJHBJ-XSFVSMFZSA-N	412.555	5.530	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c1	1860086750	FJARLLNXICYYCC-LDADJPATSA-N	411.548	5.177	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)ccc1[N+](=O)[O-]	1860087844	WIANWLKJJKSBNO-LDADJPATSA-N	412.536	5.607	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccc(OC)cc2)cc1	1865675254	WNUWXRKVYWTBCW-YZSQISJMSA-N	424.544	5.705	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccccc1	2293631578	MOTDAMNXJRIWHT-UHFFFAOYSA-N	422.487	5.256	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc12	2321698330	DOOMHHXJRVSBGN-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2c(F)cccc2Cl)cc1	2332104211	RIODTEISQDNZFV-UHFFFAOYSA-N	420.871	5.631	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@@H](C)CC)ccc21	3585149	KLLDFHWUCRRZPY-NRFANRHFSA-N	423.670	6.464	10	10	HKCE	
Cc1ccc(NC(=O)COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2)cc1	3641644	FNCKSZQYAUHVBS-UHFFFAOYSA-N	409.489	5.702	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469417	BPRZLPAZPVOYLE-AWRGLXIESA-N	422.355	7.399	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@H](C)C(=O)Nc2cccc(C)c2)C1=O)=C\c1ccccc1	15045796	FENWACQMNARCSF-IQGUTPKSSA-N	422.575	5.170	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=S	33793302	YSPKQKWJPKHKKR-DUUUWJQVSA-N	418.996	5.673	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Cc4ccc(O)c(O)c4)cc3)sc2c1	170245433	DFUREQGNZVLOTD-OAHLLOKOSA-N	418.518	5.500	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226696077	GHIACCWAIFJZRK-FKCDAAJZSA-N	424.544	5.794	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226833533	ZRTWYEQNNRUYIB-ZOCZFRKYSA-N	401.337	6.414	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N2CC[C@H](OCc3ccccc3)C2)c(Br)c1	384106558	DPQDGCNULSXYGS-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1	526245370	DKKLRFZEEXXQAC-JOCHJYFZSA-N	404.535	5.488	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	1084248850	HYTMTDDTCQRRMA-JMRXEAOASA-N	400.491	5.176	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1	1860084349	UGKSRHHBKFJENO-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Br)cc1	1865680060	VGEANUQFGYXVCZ-HMMYKYKNSA-N	419.322	6.189	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C)cc1	1875045747	IPUCYLZGYHEJFC-UHFFFAOYSA-N	406.835	6.327	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2095951850	MFTAIWGYFPNDAH-GOSISDBHSA-N	417.435	6.388	10	10	HKCE	
COCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	2296664629	RYKDAXVLFIVFEL-UHFFFAOYSA-N	414.335	5.101	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1c(Cl)cc(Cl)cc1Cl	2296734944	GDZNKMNCESFCNF-UHFFFAOYSA-N	415.107	6.019	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)o1	2297348102	IJSWWSLGIAUJPY-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1	2297452729	BXTFSFAKKWJPGD-UHFFFAOYSA-N	418.876	5.909	10	10	HKCE	
Cc1cc(O)ccc1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2321623715	YXAXEIHCJXXHIS-UHFFFAOYSA-N	424.316	5.008	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	2323680497	HAZDWCIZBXFCLR-OHFALNGGSA-N	417.596	5.120	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140859	PVVPCGWHFMULIF-UHFFFAOYSA-N	424.825	6.080	10	10	HKCE	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1	4150693	SUHSGBIPOVAKSM-HUIYXGKGSA-N	418.566	5.775	10	10	HKCE	
COc1ccc(Cl)cc1-n1c(-c2ccc(Cl)cc2)cc2c1CC(C)(C)CC2=O	4885059	OLXUEZITSCCWQM-UHFFFAOYSA-N	414.332	6.615	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461150	UAYFAKNCLMIFRJ-QYWGDWMGSA-N	414.343	6.016	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476698	HEBSKTPVURPFOF-RLSLOFABSA-N	410.517	5.452	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477313	CXOCUSGAJRHZEH-VTJXTGGHSA-N	415.364	6.348	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546463	WXOPBCXNEVXXMO-RXYILKCJSA-N	424.544	6.093	10	10	HKCE	
COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O	20070823	YWGRYVMRUYWRCD-FDDCHVKYSA-N	422.868	5.002	10	10	HKCE	
CCOc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@@H]21	20684681	FFLYWWATXXBUOA-YOPMBXEFSA-N	408.545	7.040	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@@H]21	20697247	JYQWBBDKMKIPBC-PQNGQFLHSA-N	403.570	5.499	10	10	HKCE	
CCCCCC1(C)OC(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)O1	59513128	PFCSFDYKIHAUIF-UHFFFAOYSA-N	400.496	5.519	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1	83330928	SSPZLDIKHCXSSK-PXLXIMEGSA-N	409.961	6.081	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1c(C)cc(C)cc1C	252623689	OXHIJIMJUGOLAP-OAQYLSRUSA-N	417.538	5.919	10	10	HKCE	
COc1cc(NCc2cc(Br)ccc2O)ccc1NC(=O)OC(C)(C)C	380627282	BAEKJWXOWLQZAN-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccc(OCc2ccccc2)cc1	715792458	QPAAFXWRRGSALH-UHFFFAOYSA-N	402.263	5.485	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O	1860086178	OSIGXLKPRWLPFM-CPNJWEJPSA-N	401.516	5.202	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c2cccc(Cl)c2n1	1866273968	DUJWDTYTZKQQFJ-UHFFFAOYSA-N	403.869	5.823	10	10	HKCE	
c1ccc(S[C@H]2CCCCO2)c(N=Nc2ccccc2S[C@H]2CCCCO2)c1	1933300704	SXOBGIXQLJFPNV-VXKWHMMOSA-N	414.596	7.339	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2034746350	JLKWIFWOCLRTLY-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	2095869848	HYKRVLPTQHNWIX-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
CCc1cccc(C)c1N1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)SC1=S	2293783143	GHNPDLGDBGAURB-UHFFFAOYSA-N	423.534	6.362	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1cccc(Cl)c1	2297242743	IBZGITDQXAFGML-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	2297361508	LIFVZYNSRJDMGV-UHFFFAOYSA-N	424.422	6.552	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(C(C)C)cc2)sc(C)c1-c1ccccc1	2314754399	RFPJYTHOVWZCOU-UHFFFAOYSA-N	419.546	6.285	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	2321616827	FTNGOXHXGWHIRO-UHFFFAOYSA-N	420.603	5.909	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1CCc1c[nH]c2ccccc12	2321618009	GKDMHRXJICBBLW-UHFFFAOYSA-N	414.555	5.765	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	2321646776	OIHAUIURSNLUJL-UHFFFAOYSA-N	418.927	5.777	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13636049	UINANLCAMGVKMV-ZEVJAHDQSA-N	413.517	5.980	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c(O)c1	13640339	PLAPINMFXAVWHP-LZCXECNNSA-N	405.538	6.274	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477774	GBDCQSHPKKZEJO-MRUHUIDDSA-N	404.337	6.235	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14479770	WQSXONPDXGTSSX-SGIRGMQISA-N	422.594	5.433	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546971	RMIIIRIHOODEPM-IZJXBPLLSA-N	422.355	7.399	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548125	DQGXQTXOJSKJAI-UXWDXCIHSA-N	413.561	7.331	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548404	QTASUACKHBFVMU-JBYIUTFZSA-N	408.548	5.375	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14552204	SCQKGACTSLXDLD-DPZBCOQUSA-N	419.634	7.584	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226742068	IOIBVUREWRIWRN-HHJKRLRDSA-N	420.509	5.186	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226781745	LQKJSTIKJIWKQY-NYULUDCUSA-N	424.544	6.093	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226897603	WEFHMHJRRDYXCR-DGGJZMOXSA-N	402.365	7.245	10	10	HKCE	
Cc1c(NCc2cc(Cl)cc(Br)c2O)ccc(Br)c1F	708146172	MZRXZWUZZCPGRP-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NCc1cc(Cl)cc(Br)c1O	708192823	QUPHGXXYCNTAEP-MSOLQXFVSA-N	424.766	5.282	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	1083914271	GBGNKCFATPPUPG-WDGDVPDHSA-N	400.491	5.176	10	10	HKCE	
c1ccc(COc2ccc(/N=N/N(Cc3ccccc3)Cc3ccccc3)cc2)cc1	1860485529	NEPQRKANBVGDAS-ZQHSETAFSA-N	407.517	6.967	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656195	BYRLLSUULUXMCU-KGENOOAVSA-N	423.299	5.837	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1Cl	1865664841	NOWOUNHNMPQRGC-RVDMUPIBSA-N	407.728	6.229	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(Br)cc1	1865680128	ZBKRULUGKFPSGL-SFQUDFHCSA-N	401.279	5.170	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(C(F)(F)F)c1	1891923529	TYCFONKFMSWXTK-UHFFFAOYSA-N	418.849	5.283	10	10	HKCE	
C[C@@H](O)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	2077087210	FCTYBMGTYOMEDT-IIBYNOLFSA-N	404.348	5.078	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079032011	VUQZZGDJWYGHEP-KRWDZBQOSA-N	407.352	5.405	10	10	HKCE	
CC1(c2nn(Cc3ccc(Cl)cc3O)c(Br)c2C(F)(F)F)CC1	2079832069	OQQSRWZTTPIPLU-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
CSc1ncc(CN[C@@H]2CN(Cc3ccccc3)C3(CCCCCC3)C2)s1	2284702064	FQXNSBQZDWJETM-IBGZPJMESA-N	401.645	5.322	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2294034200	MDMQCLGREXBZMC-UHFFFAOYSA-N	416.304	5.569	10	10	HKCE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc2ccccc12	2297507844	ZSIZYNPBTIBLMU-UHFFFAOYSA-N	421.543	5.306	10	10	HKCE	
COc1cc(C=CC(=O)Nc2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1	2325141858	DNVDACGHONSAFZ-UHFFFAOYSA-N	408.885	5.162	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104830	WCVMLDZSAAXYHG-UHFFFAOYSA-N	400.092	6.106	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OCC	2332106561	HITXNTMXUXUMCH-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c2ccccc21	2332128910	QIGKSHBRXFBRFU-UHFFFAOYSA-N	417.818	5.176	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456572	XFTOPUTYNRZMPY-QVNIBDNGSA-N	414.574	5.856	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463375	QKPUEGCSEQYURS-JBLZDJPZSA-N	424.610	5.713	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14472621	QDXAXZGKCRNMEP-XLNZFTOWSA-N	418.880	6.867	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473433	AHTHTPYFMPWELD-CKJXQJPGSA-N	411.889	5.669	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2	14474835	YCAQREFMVHDENP-PBDKAQRYSA-N	410.517	5.790	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479698	YMMJJUCSHZLBFB-JTFSCDOYSA-N	406.526	5.059	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1	14550565	OTEAYUHANJMWNS-SLSDLSHTSA-N	402.538	5.394	10	10	HKCE	
COc1ccc(-n2c(CCC(=O)NCC(C)C)ccc2-c2ccc(Cl)cc2)cc1	23323437	BLARBPPQKZNFAD-UHFFFAOYSA-N	410.945	5.511	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(Cl)c3)c3cccs3)c(O)c2n1	54621857	OLKCYKHGBCWWKZ-FQEVSTJZSA-N	415.345	6.819	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	206256114	XVRSTTQKESVFIP-QGOAFFKASA-N	411.548	5.177	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@@H]32)cc1	226712980	DUAIVRFBPJMXFV-DPLHUUCSSA-N	417.597	5.888	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2)c1ccccc1	226842956	ADNVWXUEJWCVGM-SWYRRKHMSA-N	410.517	5.885	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526399255	WXNPSDOFKDTGPY-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OCC	1858589975	SDHISBGVBDAQCR-COTUAXFXSA-N	419.612	5.654	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858596253	QURDYRZEUZMJCH-DTQAZKPQSA-N	416.534	5.029	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	1860087266	LEHAQHPLYMTKJC-XNTDXEJSSA-N	411.495	5.833	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	1865665604	CHLOARMMBUBWOH-QJOMJCCJSA-N	404.469	5.688	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676417	BIDXRWFJQWACJA-XNTDXEJSSA-N	404.253	5.488	10	10	HKCE	
Cc1cc(OCCCC(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc(C)c1Cl	1865935580	DNBQTVMIIBPTHF-UHFFFAOYSA-N	422.956	5.928	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3n2C)sc(C)c1-c1ccccc1	1866037870	WAJCPJFQHMXJRU-UHFFFAOYSA-N	404.491	5.254	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cccc(OC)c4)ccc3[nH]2)cc1	1872737776	ZFNXSUZHDJICSY-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
CCc1ccc([C@H](C)NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1	1872741061	JTWUCIDZGLADHU-KRWDZBQOSA-N	412.537	5.349	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	2321692868	CZQKTNHGZFYSNE-UHFFFAOYSA-N	412.605	5.415	10	10	HKCE	
CCOC(=O)CN(Cc1ccccc1)N=Nc1ccc(OCc2ccccc2)cc1	2330221787	OQQSCFGVCWYRHR-UHFFFAOYSA-N	403.482	5.330	10	10	HKCE	
O=C1C(=Cc2cc(Br)ccc2F)C(c2ccccc2)=NN1c1ccccc1	2332129811	PPNJYUKMKXHLLK-UHFFFAOYSA-N	421.269	5.423	10	10	HKCE	
CCN(CC)c1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c(O)c1	6605674	NVEMDVFNRPQWOQ-UHFFFAOYSA-N	419.356	5.558	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	14465246	MYEXDFUMCNPYMS-AWRGLXIESA-N	420.984	6.571	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14465415	GGGIILVMTWLXQK-ZEVJAHDQSA-N	401.937	6.788	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546186	QBOZCCQNVCNLGQ-JXQFQVJHSA-N	402.538	5.538	10	10	HKCE	
COc1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621702	BRPPXEBPWSAXNZ-QFIPXVFZSA-N	405.885	5.507	10	10	HKCE	
CC1=NN(c2cccc(C)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	96893022	XUWDTGKQAFNKFE-PDGQHHTCSA-N	421.840	5.623	10	10	HKCE	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)cc1	105413805	DDGMTQLIMPEHGS-CXUHLZMHSA-N	409.205	5.274	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226678971	SUQCYJHRKGZEFV-JLHGSKIFSA-N	413.359	5.827	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	251599459	YYJOCGZEKWCIPH-PJGVWAEBSA-N	424.544	6.013	10	10	HKCE	
CN(Cc1ccccc1NCc1cccc(Br)c1O)C(=O)OC(C)(C)C	311313186	XAEGMILZVIPCMI-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CC(C)(C)C1CCC(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	586479589	DPZUPDNKWGPHBC-UHFFFAOYSA-N	405.494	5.615	10	10	HKCE	
CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCCCc2ccccc2)c(OC)c1	1865671163	NJHZTBGAOPVAFY-HEHNFIMWSA-N	406.526	5.108	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12	1865673099	REXPNHCRXWFTJI-LDADJPATSA-N	408.299	5.517	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccc(N(C)C)cc2)sc(C)c1-c1ccccc1	1865976924	KLKKHZMARBDAKY-UHFFFAOYSA-N	422.550	5.147	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2cccc(Cl)c2s1	1874180088	ZOESXTAPRYWHTE-UHFFFAOYSA-N	417.873	5.582	10	10	HKCE	
CN(Cc1cc(F)ccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2141356971	QLVOQGMNFGKFDJ-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cc1Cl	2180956774	LEXFCBPPGXLTKM-NSHDSACASA-N	414.293	5.255	10	10	HKCE	
CN(Cc1c(F)cccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2274067255	LESUUVSPFNLMNJ-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N12	2297317078	NONAKSDYPMELNH-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)c(C)c2)o1	2313549270	RJVOPMKAFWSFEX-UHFFFAOYSA-N	421.294	5.824	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c(C)c1	2313610200	UWMFOKMYNLUYQX-UHFFFAOYSA-N	420.353	5.177	10	10	HKCE	
CCCCN1C(=O)C(=C2SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21	2313621560	RUEAYHZEHWMUJJ-UHFFFAOYSA-N	422.575	5.226	10	10	HKCE	
O=C1SC(=Cc2c[nH]nc2-c2ccccc2)C(=S)N1Cc1ccc(Cl)cc1	2314480569	IWKBTNZHVLRORU-UHFFFAOYSA-N	411.939	5.767	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)n12	2323766810	CQYLQMDDSCLIFF-LLVKDONJSA-N	419.984	5.320	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2cccnc2)sc(C)c1-c1ccc(C)cc1	2330139805	FJAGUDAFNBCLOC-UHFFFAOYSA-N	406.507	5.256	10	10	HKCE	
O=C1C(=Cc2ccccc2F)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332095965	LSGMWKAZRDZGKD-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(F)cc3F)C2=O)c1	2332129559	OTYVLVZPYUTECO-UHFFFAOYSA-N	402.444	5.412	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139944	KLYTZHVTGJZGIZ-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)OC(C)C)sc3n2)cc1	12249951	FIDCGMLAGFBNLB-UHFFFAOYSA-N	416.546	6.395	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13636459	LQKJSTIKJIWKQY-JPYHZWLXSA-N	424.544	6.093	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	16932830	JRSWXAYNVMAIDQ-AUWJEWJLSA-N	410.303	5.097	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2Cl)[C@@H]2CC=C[C@@H]32)CC1	20700517	GVBGNUHJUORRMF-PNCHPQGNSA-N	406.957	6.039	10	10	HKCE	
Cc1cc(C)c2nc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2c1	40979752	MKAFEECMWGHBQE-UHFFFAOYSA-N	414.486	5.231	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226743300	JOKVQFWKOBXMKN-ZOCZFRKYSA-N	416.974	5.243	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1	226845994	HGLCRCDCTRJZDU-GPHJXTMHSA-N	411.672	6.087	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226895848	SOUFZDXNVHOSST-YPCDYVTLSA-N	412.533	5.854	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(N2CCCCC2)cc1	1860085784	ZZXLTYPANHWHDS-XMHGGMMESA-N	414.983	5.736	10	10	HKCE	
COc1cc(OC)cc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	1860087686	NVYUAYOBAKICAS-KEBDBYFISA-N	407.516	5.263	10	10	HKCE	
COC(=O)c1c(NC(=O)C(C)(C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1866264766	CLBDCJWFBJSSPL-UHFFFAOYSA-N	421.562	6.043	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc2ccccc2n1-c1ccccc1	1891878701	VJXPJZQUSMYJRK-OFVILXPXSA-N	421.544	5.549	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2034812385	DJCRCPAUKLTCQQ-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079002898	QOKATESBDHELBO-IBGZPJMESA-N	402.922	5.384	10	10	HKCE	
Oc1c(Br)cccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Cl	2079835686	KRDCGWRDJDGVCD-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1	2296754815	CCLVWVRDQNHXTA-UHFFFAOYSA-N	424.591	5.232	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F	2313681637	JVKULLKMJFUDIG-UHFFFAOYSA-N	421.394	5.613	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)c1	2321088361	JRFMSBSCXHVZDI-UHFFFAOYSA-N	419.912	5.310	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	2332104749	NQZYYZBWNZTYJN-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1c1cccc2ccccc12	2332144749	KUSXHWFSRQYBHV-UHFFFAOYSA-N	411.339	5.097	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCCCC1	4819085	CSWZENPLBSWICD-HFMPRLQTSA-N	406.957	6.183	10	10	HKCE	
COc1ccc2ccccc2c1[C@H](c1ccc(N(C)C)cc1)n1nnc2ccccc21	5328622	QJAZOTWEKZIIGJ-SANMLTNESA-N	408.505	5.297	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460840	WZEGWDMTXKMIGU-JMERFSKESA-N	401.260	5.198	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14460855	VBSFLPKOHRDGLB-BXTJHSDWSA-N	414.299	5.158	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc4ccccc24)N3)CC1	14464534	DXYMKVIGPICXLR-LOLUNWTRSA-N	422.572	6.538	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14465158	SMAUWRKQINNDNZ-IMSXRSKXSA-N	414.936	6.097	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21)C1CCCCC1	14466300	OUANEEOYRIOZGH-JXQFQVJHSA-N	420.984	6.571	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546867	GQXHKCVZHFRPJV-VWLHBSKXSA-N	401.337	5.958	10	10	HKCE	
CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C	33933320	UIJQJDMRFBVJKX-NBVRZTHBSA-N	413.502	5.654	10	10	HKCE	
CCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c1	59862741	IAYMBNOSXMKZPG-CJLVFECKSA-N	414.461	5.320	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1	250220622	SCRDNEPIELXGBM-NRVIRDBHSA-N	416.348	6.378	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1	526501076	UQEWMVJNEWZJLD-RUZDIDTESA-N	423.468	5.617	10	10	HKCE	
CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1083955320	IHYHHVJSAKPRRU-NTKDMRAZSA-N	415.537	7.412	10	10	HKCE	
CCCCC[C@@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1	1872736583	OQBZWIIRJSGILT-OAQYLSRUSA-N	420.601	6.165	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc(-c4ccccc4)cc3)c2)c1	1872835204	QTQBCQHHJHCJFO-UHFFFAOYSA-N	422.528	6.251	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2095949881	QTDBNCGWKORPEM-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
CCOc1cc(C=C2C=C(c3cccs3)OC2=O)ccc1OCc1ccccc1	2297454102	LOLQBFXGDFJOSS-UHFFFAOYSA-N	404.487	5.707	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=O)N(Cc2ccc(F)cc2)C1=O	2297461616	OTANFZLDSQOYBN-UHFFFAOYSA-N	412.269	5.378	10	10	HKCE	
N=C1C(=Cc2ccc(Cl)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	2297467677	IOMORKXSGAVMCQ-UHFFFAOYSA-N	400.935	5.320	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1	2321582876	KVSJJKYQTPQXLD-UHFFFAOYSA-N	418.971	5.298	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2321643890	PJEWGCWMBMQTKG-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CCC)cc1OCC	2332106909	UTKVKIPFCIGSNJ-UHFFFAOYSA-N	407.514	5.246	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141764	WRIBTNOEEYCXIO-UHFFFAOYSA-N	410.517	6.160	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639137	NGMCIMBNEOGSOY-JTAQYXEDSA-N	412.371	6.701	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464442	CRYCAARLGIRDSX-CKOJHNACSA-N	403.525	7.245	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14472619	QDXAXZGKCRNMEP-KHCICDEESA-N	418.880	6.867	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475432	IHAOVWDTCDBECA-DURBRWELSA-N	417.552	7.288	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545103	DIOQDDZAMMVPOX-VBURHUQHSA-N	405.929	6.386	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(C)C)cccc4[C@@H]4C=CC[C@H]43)ccc21	20685169	LPMYPXDNGFXUAG-PRKAKTJASA-N	406.573	7.764	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1O	33288577	KJHMZAHZJJWAAV-PXLXIMEGSA-N	422.488	5.154	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2C)cc1	33436728	ABCPWQRXKVXOLH-HMAPJEAMSA-N	418.587	5.804	10	10	HKCE	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1c[nH]c2ccccc12	40570570	MGXCXZMDQYESFC-JCMHNJIXSA-N	401.535	5.093	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1	54620199	XPPSRNNTFDPMEA-XMMPIXPASA-N	413.521	6.024	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	226692702	VYUOFZBAMLZSFA-PQNGQFLHSA-N	419.525	5.684	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226833270	UZGRYMUEYBONPF-YPCDYVTLSA-N	411.501	5.879	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1	254341243	PGSCVRYPLPSIOE-FSQOQACCSA-N	423.641	5.510	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1	526211279	FYRUPRPIIZNKFD-NRFANRHFSA-N	423.490	5.005	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC	1865671205	PRFFZJDFAMLSRY-HMMYKYKNSA-N	408.498	5.079	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccccc1C	1865676526	IGXGQTQHGTUPQO-HYARGMPZSA-N	420.553	5.620	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCC3(c4ccccc4)CCCC3)cc2)cc1	1866230961	CTKGNJUZFGNACE-UHFFFAOYSA-N	400.522	6.292	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3cccc(Cl)c3Cl)c2)c1	1872845286	LBYLNDKBIBZTPD-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2nc(C3CCCC3)cc2I)cc1C	2070040040	CRNOJZAISOZNRA-CYBMUJFWSA-N	410.299	5.077	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1Br	2231455536	YKPSHDLIFSUUPA-QZTJIDSGSA-N	419.407	5.115	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1	2297456259	DVFQCMKFECRASO-UHFFFAOYSA-N	421.294	5.824	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)SC1=S	2331595204	ZPRMEIULVNLRGK-UHFFFAOYSA-N	401.528	5.262	10	10	HKCE	
CCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O	2332132663	YBXBCHVVGBIIRL-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133501	UJELHAVROWMBHT-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458525	OVAMUJKZQMGGBN-SURPGJSWSA-N	408.545	6.313	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477320	HWOLHNRGSXXAGK-AYSMAOOMSA-N	401.337	6.559	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)s1)[C@H]1CC=C[C@@H]21)c1ccccc1	20689766	NQLYXFKOBCZFHO-OWHZGTRUSA-N	414.574	6.550	10	10	HKCE	
CN(Cc1ccccc1)c1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	20857916	UZEKBHBMLKMJJT-UHFFFAOYSA-N	423.516	5.666	10	10	HKCE	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c1	33924057	WCPOPCOJKJYAQF-XDHOZWIPSA-N	421.499	5.046	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Br)cn3)c3ccccc3)c(O)c2n1	54200363	VLHZEBFXYRDRSH-FQEVSTJZSA-N	420.310	5.608	10	10	HKCE	
C/C(Nc1cccc(F)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	101388959	NKFAIHDVFXZOJO-XNTDXEJSSA-N	420.391	5.086	10	10	HKCE	
Brc1cc(CNC2CC2)ccc1N(Cc1ccccc1)Cc1ccccc1	381897690	UDOLTJYRQSKMKC-UHFFFAOYSA-N	421.382	5.908	10	10	HKCE	
CC[C@@H](Nc1cc(F)cc(Br)c1)c1cc(Br)ccc1O	387322426	COSYDXXBOHULIE-CQSZACIVSA-N	403.089	5.620	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C(F)F	2079698085	GSBRBAQUVGXPDJ-UHFFFAOYSA-N	413.184	5.479	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CC3)c(C=O)c2Br)C(C)(C)C)cc1C	2079980925	LHRKLPHRXAMXNI-SFHVURJKSA-N	405.336	5.293	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100218543	DOSNPJNBIYIGRE-RVHYNSKXSA-N	418.375	5.323	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1	2296660260	QANOGKARLIQJCQ-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	2321646903	CSGZSIFQRNOOPV-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CCC)cc1OC	2332124595	STSMWCQQSJRVHT-UHFFFAOYSA-N	407.514	5.246	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1	2332139448	HLVNSKYYQPBMPF-UHFFFAOYSA-N	416.908	5.746	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)SC2=S)cc1	3103731	VPCCMBDCMUWROO-QNGOZBTKSA-N	403.528	6.193	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462258	GOYHTTGLZQDZCM-QHWMMSMNSA-N	417.597	6.344	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(C(C)C)cc2)[C@H]2CC=C[C@H]32)CC1	14463089	GTSRFRNPYAMCJB-FXSPECFOSA-N	414.593	6.509	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477682	DPABWWOQBXTGAH-KHCICDEESA-N	416.392	7.779	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478375	CFMRJSUIIXPJTJ-KHCICDEESA-N	419.525	5.684	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21	14478667	QIZZVVIVANRXPZ-FBLLAGFSSA-N	422.594	5.242	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551086	LTULJTYUFQZWEU-HFMPRLQTSA-N	419.525	5.684	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1	54620191	MQIJRIFXYISZLP-XMMPIXPASA-N	413.521	6.024	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1O)N2	226707024	IZIWGHBOBYKAOB-LKBUQDJMSA-N	412.917	5.619	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	250102983	YJMSLJBCHNFLRA-KGVIQGDOSA-N	414.596	5.186	10	10	HKCE	
Oc1cc(Br)ccc1CNc1cc(F)c(Br)c(Cl)c1	691412202	TXVQJIQORHRVQX-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1N=Nc1cc(Cl)c(Cl)cc1Cl	1084008255	XLGIYRLHRHUGKH-UHFFFAOYSA-N	414.901	7.184	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	1860084745	HNLMEGWGQTZFQW-CXUHLZMHSA-N	404.900	5.271	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	1860086522	NQTLLHUSAUHHRY-RCCKNPSSSA-N	402.544	6.144	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c2C)cc1	1874151115	FIEQPYQZFZDKTL-UHFFFAOYSA-N	420.509	5.168	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1c(O)ccc2ccccc12	2313510677	DEKFTRUJBDXUFC-UHFFFAOYSA-N	419.864	5.076	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2314539389	RIQRJJOAYCKEOZ-UHFFFAOYSA-N	405.500	5.032	10	10	HKCE	
COc1ccccc1CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323759393	UWUWMKYOOWGLJR-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3ccccc3F)N=C2CCC)cccc1OC	2332118343	ABIMWYLHDBMMEO-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F	2332133970	WNAYCRWADHRAJJ-UHFFFAOYSA-N	422.834	5.471	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1	2332140938	YACVFBRVJJRFBP-UHFFFAOYSA-N	406.407	5.848	10	10	HKCE	
COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1COc1ccc(F)cc1	2783568	OBMNMYOGMPJMIJ-ODLFYWEKSA-N	417.527	5.023	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639177	LYKAPODVLXHMMH-OPYAIIAOSA-N	400.316	5.301	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457934	IKASJYSGVVVSLA-ZYVVXELTSA-N	414.593	6.455	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468245	VQMXUZOMUIFABG-CKJXQJPGSA-N	414.299	5.210	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469671	CUGCSBMTGUAMIL-MCEYFSPLSA-N	413.517	6.109	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544676	WONYJBUIDROMRY-JDITYXQVSA-N	405.501	6.247	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1O	20690762	AHPCWKIFWBRVFW-LOYIFYEOSA-N	419.565	6.577	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2ccc(Br)cc2Br)c1	36956937	GQQNYDOFCSXJJZ-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S	40005927	RQUJGPWHLSLSBI-UNOMPAQXSA-N	417.527	5.025	10	10	HKCE	
COC(=O)c1cccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c1	54619948	XYZIBDZKAAFIHA-JOCHJYFZSA-N	416.452	5.376	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC1=S	208274472	CEJQOBJDSXSFIZ-CPNJWEJPSA-N	411.596	5.082	10	10	HKCE	
O=C(O)c1cc(-c2ccc(N=Nc3c(O)ccc4ccccc34)cc2)nc2ccccc12	254348893	KSMUWNGQMAFQNV-UHFFFAOYSA-N	419.440	6.874	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858591086	XFLXOPWJPFDDNE-KWWJGWKXSA-N	402.412	6.554	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1O	1860085208	WAHNFVRZDSWIBY-QGOAFFKASA-N	413.564	5.494	10	10	HKCE	
Ic1ccc(/N=N/N(Cc2ccccc2)c2ccccc2)cc1	1860484407	LLDYWABPNPZXJI-QURGRASLSA-N	413.262	5.997	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccn2)N=C1c1ccccc1	1865667313	QITIAJOGWAZFEK-XLNRJJMWSA-N	405.457	5.078	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675126	PTBJTIYMERNKKM-LHLOQNFPSA-N	423.560	6.299	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C(=O)O)cc2)sc(C)c1-c1ccc(C)c(C)c1	1866030985	ZWWKYKIFOKKFCC-UHFFFAOYSA-N	423.490	5.077	10	10	HKCE	
Cc1c([C@H](C)O)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901880769	DXEMCXYIJNNBPU-QHCPKHFHSA-N	402.582	5.495	10	10	HKCE	
C[C@@H](N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1)C(C)(C)C	2095913066	QCOZGUMXQJZXIL-MRXNPFEDSA-N	416.359	5.988	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672401	LHACLHOKVYUXKT-UHFFFAOYSA-N	404.516	5.542	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323802544	CKPIECOBMALOHN-UHFFFAOYSA-N	401.519	6.121	10	10	HKCE	
N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12	1166667	IUTZIZIKWPGJPJ-UGGGCEITSA-N	416.289	5.003	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S	5858971	GCJRXKMXKHMCMM-YBFXNURJSA-N	401.528	5.262	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457859	DPKJBDROVRORMS-MZLICYQSSA-N	410.583	5.125	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469840	UBWFCBDFUHQSOA-HWBMXIPRSA-N	411.501	5.879	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548283	DJYRCIUWDUDGAU-FYQCMVGJSA-N	412.533	6.357	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551161	DOEDBGLTFHOYMH-HFMPRLQTSA-N	408.567	5.124	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	14551362	OCEDAURGKUSHRX-IMSXRSKXSA-N	410.583	5.324	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@@H]21	14553665	AFHGKOQTMJEKQH-BERHBOFZSA-N	424.544	6.473	10	10	HKCE	
Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	33417580	WPAYDYXMOYTPDS-UDWIEESQSA-N	419.462	5.243	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1F	1860074684	CQBCVKZFEWLROY-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1860085119	OMDWQGCKVIXSJZ-SFQUDFHCSA-N	421.509	6.409	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865658589	MRDLCCGJGSHVAZ-GHXNOFRVSA-N	401.171	5.048	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865658852	UMLQWQXHIITBBM-ATVHPVEESA-N	406.835	5.986	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(-c4cccnc4)cc3)cc2)cc1	1866179568	YBOVCKBCYLNNOP-FZSIALSZSA-N	407.473	5.775	10	10	HKCE	
Cc1ccc([C@H](C)Nc2ccc(Cl)c(I)c2Cl)c(O)c1	2150345447	MGVBUJVFSYLREG-VIFPVBQESA-N	422.093	5.785	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@@H](C)O)c(Br)c2)c1Br	2157011985	DBTJQOJACIXKLY-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
CCN[C@@H](c1ccc(N(C)C)cc1)c1scc(Br)c1Br	2163068131	DWEAHSLUXCAYFN-AWEZNQCLSA-N	418.198	5.038	10	10	HKCE	
CCc1ccccc1-n1c(C)cc(C=C2SC(=S)N(c3ccccc3)C2=O)c1C	2293983774	WIZNZDCVUOEUKH-UHFFFAOYSA-N	418.587	6.062	10	10	HKCE	
CCCCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CC)C3=O)o2)cc1	2297577710	SUQVFSOBMQNUIM-UHFFFAOYSA-N	415.536	5.125	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2313610544	ZAEIELDHPVCZKU-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c1	2321734427	VQUDGSRCEKTXKW-UHFFFAOYSA-N	411.426	5.005	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471072	MCKQRHWUKLWHAW-BSRJHKFKSA-N	412.917	6.500	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472357	VYUOFZBAMLZSFA-IMSXRSKXSA-N	419.525	5.684	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20752163	NHNOMIVXQPRUTN-UTAZYMRLSA-N	401.506	5.787	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753374	OPYCGPNRMNLGAO-NOTUOJBMSA-N	406.485	7.036	10	10	HKCE	
Cc1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1	34988704	OJZCMAAFMHPABD-UHFFFAOYSA-N	423.310	5.039	10	10	HKCE	
CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)SC2)cc1	72413650	VGWXFIJPQUCTFC-JOCHJYFZSA-N	414.534	5.322	10	10	HKCE	
CCN(C)c1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	109701650	QFHBOMOPCRCGLC-UHFFFAOYSA-N	413.930	5.362	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1	526247923	LDRMDNMIKHERMX-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)cc1	1858591751	YWUQZQQBGNGCDV-LDADJPATSA-N	401.984	6.039	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OCC)c1	1865669294	HDOXSACJCQAFFM-PXLXIMEGSA-N	420.553	5.702	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2CCC)cc1	1865670404	YBXTVHPETKODAY-LVZFUZTISA-N	410.945	6.495	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C)c(Cl)c2)sc(C)c1-c1ccc(C)cc1	1866035039	IDSIZVFEKMWICF-UHFFFAOYSA-N	413.926	6.033	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2034826257	FQDLPCWVCGJJGI-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S	2040572435	DHIXCZXCJNTLHJ-UHFFFAOYSA-N	407.919	5.279	10	10	HKCE	
CCCN=c1cc(C(=O)C(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)cc[nH]1	2059923167	IEDNJUZQOOANFT-UHFFFAOYSA-N	424.500	5.123	10	10	HKCE	
CCOc1ccc(Cl)cc1C=C1SC(=S)N(c2ccc(CC)cc2)C1=O	2293789243	AFIVPSWYVLATJZ-UHFFFAOYSA-N	403.956	5.707	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=N)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2314482751	URUWJMIUKFMDDL-UHFFFAOYSA-N	419.472	5.607	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1C	2321591139	LUONKVWXEQWRDV-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c(C)c1	2321661017	VCXFDPVXDOMMKG-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889929	JTVFIYQUGHNOCU-UHFFFAOYSA-N	418.465	5.588	10	10	HKCE	
Cc1cccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c1	4885094	SAEWWBKQOYJBJL-UHFFFAOYSA-N	408.339	6.370	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635664	QWDFCPDOPMKLRJ-FXSPECFOSA-N	424.544	5.794	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457790	UBNBMMKKGYXJFR-DNRQZRRGSA-N	424.610	5.469	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473325	CGUOCMBTKOZVBO-MRUHUIDDSA-N	414.889	5.490	10	10	HKCE	
COc1cc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O	20070750	SKXNYHUOXSATSX-FDDCHVKYSA-N	422.868	5.002	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCCC1	20751888	SSVOLFUCYIDHME-UTAZYMRLSA-N	410.517	5.608	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1	103569633	AQOUQYDJNYCSGM-ZKSCCFDSSA-N	401.900	5.251	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1[N+](=O)[O-]	1084131937	XKFYIDLWPUDYJT-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	1084475921	XYSNUQCDWMTXIY-LHHJGKSTSA-N	411.291	5.307	10	10	HKCE	
COc1ccc(CCN2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1858586899	XIMNJNGPOJKXII-SFQUDFHCSA-N	423.481	5.158	10	10	HKCE	
CC(C)CN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O	1865668428	XBFNLMYUNRJZEW-UNOMPAQXSA-N	402.416	5.066	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2C)cc1	1874128266	KKEZKDCXGJTPDS-UHFFFAOYSA-N	404.388	5.254	10	10	HKCE	
CCN[C@H](c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O	2090043668	XGDMNOVUQJOCBI-GOSISDBHSA-N	421.335	5.201	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2223536143	XGEHOKLNMFLPNA-HNNXBMFYSA-N	411.334	5.609	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C	2297316263	OOEQVQDTXPKCQY-UHFFFAOYSA-N	419.912	5.462	10	10	HKCE	
CCCCNC(=CC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	2297452916	PAFBDIZJHTTYTQ-UHFFFAOYSA-N	413.801	6.817	10	10	HKCE	
O=C1SC(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=S)N1c1ccccc1	2314487756	JYDQICJSMHXUNM-UHFFFAOYSA-N	407.476	5.427	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	2318755895	BBQCVPMRJQQGFF-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
CC1(C)CC(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)CC(C)(C)N1	2323790069	DUJVAUGYRNOWNZ-UHFFFAOYSA-N	416.656	5.495	10	10	HKCE	
Cc1ccccc1NCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	2756649	JGOOOJIWSKQWMA-YBEGLDIGSA-N	419.369	5.028	10	10	HKCE	
CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	3002015	AYIXWIPHRUBZGR-LZYBPNLTSA-N	424.330	5.325	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(cccc4[N+](=O)[O-])[C@H]4C=CC[C@@H]43)ccc21	13642557	OMJFVEBZXFLYMA-FXJWSJNKSA-N	409.489	6.549	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477086	OCKDOVNSYALBKA-LRDNONRASA-N	415.364	6.348	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548222	NHNOMIVXQPRUTN-KCPMXOJXSA-N	401.506	5.787	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14551811	OAXLBWGWDIKMEN-AWRGLXIESA-N	412.558	6.487	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753787	AKLLLLDXVQBUGS-QECWJDIYSA-N	419.568	7.998	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764656	ONSARHIYDRMGNN-WIOPSUGQSA-N	404.485	5.461	10	10	HKCE	
COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c(OC)c1	33385772	XNGQBHFXGUAGFI-NDENLUEZSA-N	407.516	5.263	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C(\C)c3ccc(Br)cc3)SC2=S)cc1	39859083	DNDGVWUWRNQIHC-ATVHPVEESA-N	418.381	5.807	10	10	HKCE	
CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2O)N1	58138658	RQINJMCSECHCFR-JYFHCDHNSA-N	400.522	5.576	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1	83262944	GCEAYIJPDUXZGP-PGMHBOJBSA-N	410.473	5.125	10	10	HKCE	
COc1ccc(N2CCN(C(=O)c3ccccc3Nc3cccc(C)c3C)CC2)cc1	104673149	ONKOWYNDLHHOAC-UHFFFAOYSA-N	415.537	5.018	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226689457	DWLCVBIWVQVDOU-TYILLQQXSA-N	403.309	5.275	10	10	HKCE	
CC(C)(C)OC(=O)NC[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1	380866288	LWVOVFRGJQUTIX-KRWDZBQOSA-N	417.377	5.262	10	10	HKCE	
CC[C@@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)c1cc(Br)ccc1O	717996848	HQPYGADTUNKVFP-RTWAWAEBSA-N	417.391	5.106	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588780	ATPIDLIFIQQIAN-YAFRSCOQSA-N	404.900	5.211	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1	1860084947	AQHFEIGYFYDUIO-GZTJUZNOSA-N	405.947	6.182	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)cc1	1860086144	MPMSVXSYRISYEV-LTGZKZEYSA-N	411.592	6.360	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc4c(c3)CCCC4)c2)c1	1872842561	AOMUWVXVKZMQIY-UHFFFAOYSA-N	400.522	5.463	10	10	HKCE	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891412705	HTJAWUMNMDLBEK-UWJYYQICSA-N	421.541	5.176	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(C(F)(F)F)ccc1Cl	1891918989	VXSFHAHQSMGGRM-UHFFFAOYSA-N	418.849	5.283	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)c(Br)c1	1915275188	ZGQYSMPELKWDCL-VGOFRKELSA-N	419.407	5.143	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	2313507685	FJEROMIUFNUDQK-UHFFFAOYSA-N	421.840	5.623	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	2321692915	NTFYPEUPTUMGSU-UHFFFAOYSA-N	422.619	5.990	10	10	HKCE	
O=C(O)c1ccccc1C=C1C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1	2332131770	CKSNVSMFLZYWQB-UHFFFAOYSA-N	418.452	5.373	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635718	LSMFINFTPNZFQA-HFMPRLQTSA-N	402.538	5.394	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	13638489	RQBXHOILNFHGMH-LGVFNWMJSA-N	417.350	7.019	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc(Cl)c2)[C@H]2CC=C[C@H]32)CC1	14460452	JWAJSKNXCFUJGA-SXWKCWPCSA-N	406.957	6.039	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464051	JVRVYKTUGMOZOW-KJWPAHLWSA-N	418.562	5.353	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469496	RREJBUYWDSIKMV-SKVJQKLOSA-N	424.544	6.075	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20752160	NHNOMIVXQPRUTN-ZVOVDXHFSA-N	401.506	5.787	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(F)c3)N2)c1O	53364173	VGGOJQIGQUTQGQ-RDGATRHJSA-N	420.484	5.161	10	10	HKCE	
CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2O)N1	58138675	RQINJMCSECHCFR-ZEQKJWHPSA-N	400.522	5.576	10	10	HKCE	
Cc1ccc(Sc2ccc(C=C3C(=O)OC(C)(c4ccccc4)OC3=O)o2)cc1	59513094	OEAPSGNYUDWAOD-UHFFFAOYSA-N	406.459	5.096	10	10	HKCE	
CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1\C(=O)N(c2ccccc2)N=C1C	83259880	SYCVVGKPMRQXDX-IXVRPATCSA-N	419.550	5.598	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226722134	GWMZFKSVALVGKP-WHSBFGAESA-N	412.533	5.433	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226741000	DFKWPEHUBLAELQ-WIEQDCTASA-N	404.293	5.754	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)c1ccccc1	226829434	BLPWFWIWFNVEFA-INNMJMHTSA-N	416.524	6.919	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526150267	OLHCQKCCFBEFNZ-QFIPXVFZSA-N	406.432	5.088	10	10	HKCE	
CN(Cc1ccccc1)C1(CNCc2cc(Br)ccc2O)CCCCC1	714233828	USZSXLWXOIOKBN-UHFFFAOYSA-N	417.391	5.079	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	1860076547	IOIBUJPTLRJPNT-SFQUDFHCSA-N	417.939	5.313	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1F	1860085021	GTPJGTFHPRRFNV-VIZOYTHASA-N	408.863	5.102	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	1865658133	AEQFRLRQQBPICT-ULJHMMPZSA-N	412.508	5.953	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865658607	OHHZJMXZAMPZHD-UNOMPAQXSA-N	423.299	5.529	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1	1865680412	JXDRPSDZGLETHA-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
CC(C)(C)C(F)(F)c1ccc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc1	1866138750	LAXRTJCFPYTDTB-UHFFFAOYSA-N	408.492	6.250	10	10	HKCE	
C[C@@H](NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C1CCCCC1	1866251112	ZPOFQOAPKQGIIL-GOSISDBHSA-N	423.557	5.255	10	10	HKCE	
CCc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(C)c2c1	1866293380	QDYUPKGJJDLQBS-UHFFFAOYSA-N	414.461	5.291	10	10	HKCE	
Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	1891922312	LNXZGJJOAZNUGP-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
Cc1cc(C=C2N=C3CCCCCN3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	2040837671	WXLJFFOOAIQFJA-UHFFFAOYSA-N	401.432	5.269	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321585856	HGMPOLLRLQTXKL-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2ccccn2)sc(C)c1-c1ccc(C)cc1	2330125545	LZIVDOHVVQDPPO-UHFFFAOYSA-N	406.507	5.256	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(C(C)C)cc2)cc1	2332104335	WQIIOBJXBGBCAA-UHFFFAOYSA-N	424.544	5.957	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Br)cc1	1246838	IJOWXCGSDGPMAS-CXUHLZMHSA-N	415.337	5.336	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457034	QWERFDSPUVETHZ-AXHZCLLHSA-N	412.489	5.480	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460341	SKHSBYGHYAVSTG-OPYAIIAOSA-N	416.974	5.243	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14463524	DUNKFQTUGAZCEW-TUGCOKMYSA-N	416.565	5.545	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470276	RUOHBHHBWMBFQJ-DPZBCOQUSA-N	411.545	6.879	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14552414	GIMFIBXTPBAHBX-VBOOUTDYSA-N	422.572	7.197	10	10	HKCE	
CC[C@@H](Nc1ccc(F)cc1Br)c1cc(Br)ccc1O	20430460	IDGRXWKAQOWZJA-CYBMUJFWSA-N	403.089	5.620	10	10	HKCE	
CCCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	38642742	QKDUNCDRJHXXEA-VWLOTQADSA-N	424.585	5.143	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N12	104688564	WITIWZXWMJVBPN-RRESGWQXSA-N	415.927	5.392	10	10	HKCE	
CN1CCCc2cc(CNc3ccc(Br)cc3Br)ccc21	109791271	PWIOLXHJQMQMPM-UHFFFAOYSA-N	410.153	5.206	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1	226910386	KQLUAWRPZLHEMB-FKCDAAJZSA-N	422.572	7.063	10	10	HKCE	
Cc1ccc(N=Nc2cc(C)ccc2N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	254457519	LUVORNYWEYQOHA-UHFFFAOYSA-N	400.394	5.428	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(N=NNc2ccc(Cl)c(C(F)(F)F)c2)CC1	1860490267	YWFVEQWYEYMSIA-UHFFFAOYSA-N	406.836	5.537	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1cccc(OC)c1OCc1cccc(C)c1	1865676450	CTDMRJKHFKKTFM-LTGZKZEYSA-N	406.526	5.374	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3ccc(Cl)cc3)cc2)cc1	1866142395	QXCQIVGUZZNGEC-JOCHJYFZSA-N	407.901	5.322	10	10	HKCE	
COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870998320	SOSDFSGRDXGUCE-UHFFFAOYSA-N	421.541	5.028	10	10	HKCE	
Cc1ccc(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c(C(C)(C)C)c1	1872831210	GRRFJYVBOZRENU-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1	2294773647	BNCDOZYZARUHDZ-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(C=C3SC(=O)N(c4ccccc4)C3=S)o2)cc1	2314488940	PXVGEVJIGCFKID-UHFFFAOYSA-N	407.472	5.687	10	10	HKCE	
Cc1ccc(C)c(COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1	2331594988	YLJZGVBJDPGYCE-UHFFFAOYSA-N	411.592	5.740	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332099680	UHLJVJORMVXQDO-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546561	SBNYZTMDXKDWIM-HOOSLVGPSA-N	408.328	7.612	10	10	HKCE	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702443	NRZNAJUXFFXALJ-JZKQVHKSSA-N	404.293	5.754	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)s1	226684901	LXIYAHJBXQKDQW-JXALWOEJSA-N	400.547	6.160	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226906944	JXXWIOYNNSLFEY-YPCDYVTLSA-N	416.351	8.126	10	10	HKCE	
COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1NC(=O)OC(C)(C)C	312209761	SGNXGJRBWGTABA-UHFFFAOYSA-N	413.301	5.667	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F	1891914895	AZENWTLGBIDHQC-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
C[C@H](Nc1ccc(Cl)c(I)c1Cl)c1cc(O)ccc1O	2150346541	GYIZWSSGAPEWSP-ZETCQYMHSA-N	424.065	5.182	10	10	HKCE	
CCc1cc(C)cc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1	2293205591	QLLLJXWHKQLHOB-UHFFFAOYSA-N	422.575	5.080	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	2296740112	DTBLPPLAUAGICC-UHFFFAOYSA-N	411.288	6.368	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC=Cc2ccccc2)cc1	2297638702	HHDZJKDZTMYHPS-IARZGTGTSA-N	418.625	5.914	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332099845	JRIABRSXTMMIAM-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OCC	2332113969	CHKOZMBTTKMXEE-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccccc1	2332140777	JGUHHXFOLAJZBV-UHFFFAOYSA-N	406.407	5.536	10	10	HKCE	
Cc1ccc(CNc2c(Cl)cccc2Br)c(O)c1Br	2352932994	URHKOEDQYUJBEO-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477003	MRWYCNKYAOHQHG-ARGWCVDVSA-N	423.365	5.070	10	10	HKCE	
COc1cccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550507	UVMCKCDLPVBDBU-NLJOTIRTSA-N	411.545	6.533	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@H]21	20748927	IVMKSLXDIQZBOI-IPVFLDMMSA-N	416.565	5.928	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccccc3C(F)(F)F)c3cccs3)c(O)c2n1	54619590	VDIQCCMSBAVDFI-FQEVSTJZSA-N	414.452	6.531	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1	104688644	BXBQXPJUUPMWOQ-RRESGWQXSA-N	415.927	5.392	10	10	HKCE	
Nc1ccc(N(C(=O)N/C=C/c2cccc(Br)c2)c2ccccc2)cc1	218073566	CJMLUKYDTSEZEO-BUHFOSPRSA-N	408.299	5.550	10	10	HKCE	
CC[C@@H](Nc1cnc(Cl)c(Br)c1)c1cc(Br)ccc1O	233900139	LDOOZHLAAWHAOC-GFCCVEGCSA-N	420.532	5.529	10	10	HKCE	
CC[C@@H](NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388466939	DLVIRJCSEHZTDO-WIYYLYMNSA-N	417.391	5.108	10	10	HKCE	
CCCCN(CCCC)c1ccc(/C=C/c2ccc(NC(=O)C(=O)OCC)cc2)cc1	1738928307	SRUNMSUXFWGNFX-MDZDMXLPSA-N	422.569	5.765	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)c1	1858586779	TZHGCRIGUFSHLI-HEHNFIMWSA-N	401.641	6.870	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	1860084906	WSTDHMUNFAQXNT-XSFVSMFZSA-N	413.564	5.452	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	1860086614	VZKVAAIEVVKRHG-CJLVFECKSA-N	416.571	6.398	10	10	HKCE	
CCCCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2C(F)(F)F)cc1OC	1865671899	GWRNNFLXGANFJE-SSZFMOIBSA-N	412.452	5.208	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677722	ZJJHLQSXXOOYKF-XMHGGMMESA-N	406.844	5.322	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2Br)cc1C	2080012450	PAQRESRZCYPXRS-GOSISDBHSA-N	421.379	5.147	10	10	HKCE	
COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080056415	SXHGNACCRRCPNC-OAHLLOKOSA-N	400.853	5.219	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2c(O)cccc2Br)cc1	2089186408	MLRIPCIIDOJNLB-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CCN[C@H](c1ccc(N(C)C)cc1)c1cc(Br)c(Br)s1	2163078162	HAAOBDPFDYIONN-CQSZACIVSA-N	418.198	5.038	10	10	HKCE	
Cc1c(Br)cc(F)cc1NCc1cc(Br)cc(F)c1O	2287989658	QMISYQQRLHEYMU-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1	2297624577	DIDVIUTXFBWAGJ-OAHLLOKOSA-N	413.564	5.147	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321638237	UGKSRHHBKFJENO-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
COc1ccc(CCN2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2323733379	DKMZGQBCEZUYIW-UHFFFAOYSA-N	411.592	5.437	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	2332141248	PBNQTALPZKXPAB-UHFFFAOYSA-N	404.872	5.618	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c(OC)c1	1306251	NKNWABYHSCCEMJ-UDWIEESQSA-N	407.516	5.263	10	10	HKCE	
O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(C(F)(F)F)c1	3375317	AIBRUPVSLOMBCK-ZSOIEALJSA-N	416.346	5.807	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459422	ATUWBUVGFPJWHW-ZYLNGJIFSA-N	418.537	5.244	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226714467	XBXXTPJIYUGYFK-UMFSSWHCSA-N	407.985	7.516	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526322664	NQGOFTZRSHHADZ-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	1081120332	GUAAZYLENWVOAF-UHFFFAOYSA-N	415.858	5.254	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2N(C)C)sc(C)c1-c1ccc(C)cc1	1866159827	JWVKCIOIBBEYGY-UHFFFAOYSA-N	422.550	5.445	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=Cc2nc3cc4c(cc3s2)OCO4)cc1	2053614258	JCZATSPLGXUDII-UHFFFAOYSA-N	414.530	6.222	10	10	HKCE	
CCN(CC)c1ccc(C=Cc2onc(C)c2[N+](=O)[O-])c(OCc2ccccc2)c1	2297379888	JLZNBPYQISLRQT-UHFFFAOYSA-N	407.470	5.487	10	10	HKCE	
Cc1nn(-c2ccccc2)c(Cl)c1C=C1SC(=S)N(c2ccccc2)C1=O	2297497559	UMKJOXFGQIDJRG-UHFFFAOYSA-N	411.939	5.240	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1	2313510576	SLYOCRODQGOODQ-UHFFFAOYSA-N	413.256	6.243	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(C(C)(C)C)cc2)cc1	2332099951	VSWYSLMHQJXQDQ-UHFFFAOYSA-N	411.505	5.222	10	10	HKCE	
COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)ccc1OC(C)C	2332125463	DXVXONMXQQLOPW-UHFFFAOYSA-N	416.880	5.077	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469593	NOIHVSWYEMCGSL-MCEYFSPLSA-N	412.489	6.309	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477784	OTPYVUFLUSPWQP-QYWGDWMGSA-N	415.364	6.350	10	10	HKCE	
CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	15122022	XCYSQFHYFNWYFP-CEMXSPGASA-N	424.493	5.451	10	10	HKCE	biogenic,in-vitro
Oc1c(Cl)cc(Cl)cc1CNc1c(Cl)cc(Br)cc1Cl	20505616	PFEGQYNWAKEWQM-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21	20679815	MCQACANGXHKRHK-TZBSWOFLSA-N	410.517	5.191	10	10	HKCE	
CCCn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc21	33505054	VPCKCZYMICXYEE-PDGQHHTCSA-N	407.857	5.211	10	10	HKCE	
COc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1OC	54621747	ACGRNXDPZUUSFU-QFIPXVFZSA-N	404.441	5.298	10	10	HKCE	
CC1CCN(c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])CC1	101474477	GBBZHJBLTVKZAJ-CYYJNZCTSA-N	417.473	5.780	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C)N2	226887203	DVOVSJWJOXWVFW-TZBSWOFLSA-N	424.610	5.632	10	10	HKCE	
C[C@](CO)(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1	381324577	PXBOTFWPCSPGGJ-JOCHJYFZSA-N	412.327	5.348	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cccc4ccccc34)C2=O)cc1	1865658224	FBGAMARCVJZDNT-BWAHOGKJSA-N	404.469	5.683	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1	1865665670	GGWZLIPQGWTLGO-GDNBJRDFSA-N	409.205	5.106	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865668496	AVZMTNMEAMXJFC-KQWNVCNZSA-N	416.908	5.963	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OC	1865671214	QGXQZBXPDZQFME-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2095844300	ZTSVTAGSDUQVRW-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100218220	BFIQHGHBAUXYSR-IWMITWMQSA-N	418.375	5.323	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)c(Br)c1	2186636636	MRFIVQIPTPLINV-ZJUUUORDSA-N	419.182	5.524	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(Br)c1	2231452693	WLEVVWUFVVSRPH-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
C[C@H](NCc1ccc2c(c1)CCO2)c1cc(Br)c(Br)s1	2281270003	GPAUPCFKEYBSDT-VIFPVBQESA-N	417.166	5.059	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1	2296666510	RTYLOPQQPUGTHB-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
CCOc1ccc(C=CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1	2314754507	UIXMNQITBIRCSR-UHFFFAOYSA-N	421.518	5.561	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1OC(C)C	2332133909	PBVLMNPOTOPERP-UHFFFAOYSA-N	403.309	5.977	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccccc2C)cc1	2332148705	AVEIVIVKQWZSSE-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462148	GOZRBABEZGTATK-HWBMXIPRSA-N	406.570	5.775	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548925	RWGVGDJHGGLJTA-WWEVIYMKSA-N	400.547	6.241	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	14550738	ZURNVRSBSSXNDE-SXWKCWPCSA-N	411.461	5.674	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20751936	JKTPUXYIGQQANP-NNPDTBDGSA-N	412.533	5.900	10	10	HKCE	
Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(F)cc1	20943406	HQCPDICEQMUWCE-UHFFFAOYSA-N	405.395	5.574	10	10	HKCE	
O=C1/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C1CCCC1	208274802	HDZXRXTZBRZPNT-HMMYKYKNSA-N	423.607	5.369	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OC	1860087223	IPFHGOFSQVDJQO-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O	1865668908	WNGFAEDGQZFYOF-UYRXBGFRSA-N	402.416	5.128	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)ccc1O	1865675756	YMMGWJTXNXHRGZ-JWGURIENSA-N	420.468	5.389	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1	1865679900	MAPNKKGDHFOXQP-SFQUDFHCSA-N	417.734	5.684	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	1946784437	ACZPHQBZGUMUAV-ZDUSSCGKSA-N	401.270	5.298	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2313577406	PRVRKWYQRZEEGB-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(F)c1	2321745598	LJJAAPWZHIHSOQ-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456295	STGRKSMFLLSDBK-SFYKDHMMSA-N	422.575	5.684	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460653	FVIZUQMJBXIGFP-HFMPRLQTSA-N	408.973	6.429	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14464856	RTQZHQDYROZZRV-MPGHIAIKSA-N	407.682	5.771	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467918	UQTUSTXKRBUXFV-QEEYODRMSA-N	417.336	6.120	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)c1	14480146	JOOXCKVNWFHVAA-ZEVJAHDQSA-N	408.545	6.691	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCC)N2	14545758	KFXHLQURZFAPFZ-CKNGIIGNSA-N	410.945	6.304	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546298	XYNJSCYMGBJMAG-LXWOLXCRSA-N	411.545	6.533	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@@H]2C=CC[C@@H]21	14553667	IIEOMNPNMYUEON-YZIHRLCOSA-N	410.517	6.082	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20678809	BERUHYLDXGWTBR-OASJLCFRSA-N	413.517	5.980	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1	20765061	PTHTVBWAAXPKKT-NZQKXSOJSA-N	410.876	5.416	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)cc2)C1=O	33810950	QJHLINOCXNEYHR-XXXONXIBSA-N	422.575	5.171	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53364248	HYACVBBLWRTGBH-SHQCIBLASA-N	414.549	5.884	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	59462434	QPXDEEWBKBNMGI-RFZJPIJTSA-N	402.925	5.745	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1O	226652883	QWERFDSPUVETHZ-IMWIBFENSA-N	412.489	5.480	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226807403	DKCVKOVTHIUXMF-DPLHUUCSSA-N	418.606	6.107	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2	226832100	OPEFMRNBATXFQU-QZMQVMSPSA-N	407.470	5.112	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226904605	QVWBSGCAYHJVDG-MCFFVMPBSA-N	404.337	6.235	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1860086520	NOXYRIFKJWXMHC-LICLKQGHSA-N	418.927	5.777	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC	1865671343	WRJDJCHQBNPOAZ-LGMDPLHJSA-N	418.415	5.223	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(OC)c1	1865676390	ALIYDZQHIPLSMM-OQLLNIDSSA-N	419.308	5.290	10	10	HKCE	
Cc1ccc(/C(=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	1868169101	PJPQXSJDQHCEAO-HZHRSRAPSA-N	421.496	5.511	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	1874129685	LNKOGTQGKBAYQQ-UHFFFAOYSA-N	404.388	5.254	10	10	HKCE	
CCN(CC)c1ccc([C@@H](O)c2cc(Br)c(Br)s2)cc1	2163099246	HFLXFIUBZJQDLG-CQSZACIVSA-N	419.182	5.201	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S	2297577720	URMSJOORYYEYOW-UHFFFAOYSA-N	422.940	5.230	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1	2318684108	QAJAMZSMHWHGCP-UHFFFAOYSA-N	411.636	6.154	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1	2323858592	POOCSRKCWQHFCV-UHFFFAOYSA-N	414.571	5.116	10	10	HKCE	
O=C1C(=Cc2ccccc2F)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332096500	OPTKTYDMCKGSRO-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CCC)cc1OCC	2332114043	MXUFNZABUXYJKK-UHFFFAOYSA-N	421.541	5.636	10	10	HKCE	
O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1	1908788	XMGGGKOWSSBGQU-KNTRCKAVSA-N	410.564	5.087	10	10	HKCE	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)(C)C)cc4)S3)CC2)cc1	2313677	XJKGOPKNVUAWFR-XLNRJJMWSA-N	419.594	5.085	10	10	HKCE	
CCCCc1ccc(NCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	4517934	AZBZYJKVZOCXPJ-RCCKNPSSSA-N	409.555	5.201	10	10	HKCE	
CCc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1	4885097	SDCRMGIGZRYESG-UHFFFAOYSA-N	422.366	6.624	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1	5887904	ACVMLEJIZGSMHC-KGENOOAVSA-N	421.591	5.430	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(Cl)cc(Cl)c2O)cc1	6311458	WKQCHEIMHNPETE-FMQUCBEESA-N	402.303	5.145	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458140	DWFMFZHNXOFTSW-QSEAXJEQSA-N	416.609	6.701	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476036	JKYMJCJIPZNQRN-KHCICDEESA-N	408.498	6.086	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226710373	ONCMGFAFLZOGCI-TZBSWOFLSA-N	404.554	5.403	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226806296	CIBZGPSMXNRKIV-ZFGGDYGUSA-N	402.519	5.314	10	10	HKCE	
CC[C@H](NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	311975197	LQKAWUHGKXWDRM-RBBKRZOGSA-N	417.391	5.108	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1	1865664212	GAESPTRSBHHBJG-GDNBJRDFSA-N	424.825	5.947	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CO)c(Br)c1	1914855283	PHGDBNOJWSTFMU-OAHLLOKOSA-N	402.357	5.771	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080002358	WIYSVCBQBUMWBX-SFHVURJKSA-N	402.922	5.087	10	10	HKCE	
C[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1	2293429978	INTNPLASRNNQKM-QGZVFWFLSA-N	417.555	6.232	10	10	HKCE	
CCCCN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	2314433674	QHYQKZLSWZEEPF-NRFANRHFSA-N	407.560	5.748	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)cc1	2321591141	LZAFMAPWHYWWFH-UHFFFAOYSA-N	415.511	5.107	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	2332107417	BLGQSRGINDRACM-UHFFFAOYSA-N	402.881	5.184	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639073	FBINUTNWXBDZNT-SQGPQFPESA-N	411.343	5.414	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14472611	MFAJCBXGTNEBHS-KHCICDEESA-N	417.896	6.818	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14475330	FSRFYNLYKHUBSR-ZEVJAHDQSA-N	408.545	6.292	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549327	FGUQIAYQUVLUQJ-LUXHBGHRSA-N	419.568	7.998	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550654	YSRRZNWAXAEHME-JPYHZWLXSA-N	424.544	6.093	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14552421	BULJZNHXBQVDIY-SLSDLSHTSA-N	414.936	6.727	10	10	HKCE	
O=C(O)CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S	107966827	ZWTCJZCORWJECH-CPNJWEJPSA-N	407.516	5.059	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	250648299	WARLQDDPAIVKEA-PWHSHALESA-N	422.575	5.400	10	10	HKCE	
CC(C)N(C(=O)/C=C/c1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889081	KFKIKYVHROLHJP-NTCAYCPXSA-N	413.448	5.056	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(OC(F)(F)F)cc1	1860087801	USIUWGMJUGHTIO-VGOFMYFVSA-N	417.380	5.269	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc1	1865670062	GQQGUERCERNCAJ-HKWRFOASSA-N	416.443	5.600	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(C(F)(F)F)c1Cl	1891083330	YWEXLGKDBFSYKL-HOCLYGCPSA-N	408.851	5.278	10	10	HKCE	
NCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(F)c1Br	1946808363	IQCQDVKHDOMUIM-UHFFFAOYSA-N	405.233	5.006	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCN(C)C)Cc2ccccc2)c(Br)c1	2095860004	NITZFPMFMRBDJU-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(Br)c1	2113612966	MSOAHGUUDTXOJF-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2297297063	WTLAVBYOQOIQIU-UHFFFAOYSA-N	422.311	6.473	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2318757026	UHIBEQIXPRJIBR-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118524	VJMKDOKTODNUIS-UHFFFAOYSA-N	410.517	6.160	10	10	HKCE	
COc1ccc(OCc2ccc(F)cc2)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1	8664782	DZSLACMMGLPKJZ-HAHDFKILSA-N	416.452	5.219	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635715	LSMFINFTPNZFQA-AWRGLXIESA-N	402.538	5.394	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476300	FCLGRLIBQFVQFB-JXQFQVJHSA-N	422.355	7.399	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@@H]21	14544240	DPZXAUGVJRXORF-YRTUYQHASA-N	424.544	5.911	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549028	JQGGZAGPDYUVIM-VYKTZEHYSA-N	404.513	6.778	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)c1	14553527	IGKQAVUYESVTGK-DXBVXKBHSA-N	423.560	6.140	10	10	HKCE	
C/C(NCc1ccc(Cl)cc1)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	17082297	HZJSSOQIWLOVTQ-OQKWZONESA-N	401.897	5.155	10	10	HKCE	
Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1	33400576	ZWTVOSBIGJFRBH-UDWIEESQSA-N	418.474	5.344	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)O)cc1	33752311	UWRCTWZKAYRDSR-ZPHPHTNESA-N	400.522	6.046	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(F)(F)F)c3cccnc3)c(O)c2n1	54619587	BSBGLTSSOQLTPR-FQEVSTJZSA-N	409.411	5.864	10	10	HKCE	
CC[C@H](Nc1c(C)cc(Br)cc1C)c1cc(Br)ccc1O	109903434	QRCQNQICWAOFQT-HNNXBMFYSA-N	413.153	6.097	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226698917	UXAFGEAVAHKUNZ-VWKPWSFCSA-N	412.873	5.642	10	10	HKCE	
CN(Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1)C(=O)OC(C)(C)C	380751807	MWVOZTJGESGHTB-UHFFFAOYSA-N	411.329	5.678	10	10	HKCE	
CNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946789583	XFKGTGZYHSNXQA-UHFFFAOYSA-N	401.270	5.128	10	10	HKCE	
CC(C)Oc1ccc2cc(C(=O)C(=O)c3ccnc(NCc4ccccc4)c3)ccc2c1	2059918796	YNDVKERTDZSKQO-UHFFFAOYSA-N	424.500	5.700	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079002899	QOKATESBDHELBO-LJQANCHMSA-N	402.922	5.384	10	10	HKCE	
CC(C)C1=NN2C(=N)C(=Cc3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	2296394080	QLCQBCXYUBJIQD-HNNXBMFYSA-N	418.522	5.102	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	2321658168	TYFJNUSBBNNZST-UHFFFAOYSA-N	419.527	5.899	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(SC)cc2)SC1=S	2321672302	HIKNXOJYNYDWPE-UHFFFAOYSA-N	407.969	5.476	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4cccc(Cl)c4)C3=O)c2c1	2321708954	WYWBEXBWYBHKBT-UHFFFAOYSA-N	400.912	5.236	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323850809	NAADFMBLOHGQBN-CQSZACIVSA-N	401.519	6.266	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(C)cc2)cc1	2332104941	HFCOIGKUENJLJT-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cc(C)ccc2O)cc1	2332105252	MCSHVIJFCNOSSO-UHFFFAOYSA-N	418.880	5.197	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1OC	2332130743	SAUDYJJHLUIYBY-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1	4729917	UADYKNRNHNUSLE-URXFXBBRSA-N	414.977	6.265	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464155	DJHRQRPGPHPVNF-MJNXXRANSA-N	424.544	5.575	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464438	CRYCAARLGIRDSX-AGJHTDJMSA-N	403.525	7.245	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476301	FCLGRLIBQFVQFB-AXHZCLLHSA-N	422.355	7.399	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	20764180	RAKGBKFUGGQGCQ-URXFXBBRSA-N	424.903	5.806	10	10	HKCE	
CCc1ccc(NC2=NC(=O)/C(=C(\C)c3ccc(Br)cc3)S2)cc1	39870243	BCCBOGHEYBEQQY-ATVHPVEESA-N	401.329	5.484	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3ccncc3)c(O)c2n1	54619510	UQJWRLUMAOYANL-FQEVSTJZSA-N	409.411	5.864	10	10	HKCE	
O=C(CCCc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	96506258	UYFYGLWMDNTBKV-UHFFFAOYSA-N	403.865	5.077	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226737403	ZGZPEUFMBNEJBK-ZOCZFRKYSA-N	404.337	6.704	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917916	ZEVMPSLOBFUUTG-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1OC	1865669178	FSDKSNKHASJNLU-RAXLEYEMSA-N	424.806	5.096	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2c2ccc(OC)cc2)cc1	1865674923	FUIPDLDFIPZROC-LFVJCYFKSA-N	414.480	5.227	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(O)ccc3ccccc23)sc(C)c1-c1ccccc1	1866103097	JLDGKKPRLUAXNN-UHFFFAOYSA-N	417.486	5.621	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2ccccn2)sc(C)c1-c1ccc(C)cc1	1866157011	LZIVDOHVVQDPPO-FYWRMAATSA-N	406.507	5.256	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCC2CCC2)sc(C)c1-c1ccc(Cl)cc1	1866205534	CSXYLKXRVMMFFS-UHFFFAOYSA-N	405.947	6.072	10	10	HKCE	
CCN(CC)c1ccc([C@@H](O)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1	1977936233	UDAPZBKVZTZCAV-QHCPKHFHSA-N	412.574	5.394	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(F)c1	2293850303	GAQSMQSUAYIUBZ-UHFFFAOYSA-N	415.898	6.145	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	2296683378	PYCVVQVGLUXXNW-UHFFFAOYSA-N	419.527	5.893	10	10	HKCE	
Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)o1	2297561341	ZGMNMBBPQYLJIG-UHFFFAOYSA-N	419.458	5.190	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1Cl	2313610337	VYACPEJVZBZXGR-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2321672407	MXHGNFMHIJSQJS-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125626	XAHGDPYOLQCXSK-UHFFFAOYSA-N	410.489	5.203	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC	5195659	MMVXJAWVEAGMBO-ZHZULCJRSA-N	418.880	5.192	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	5858994	PTYJONLCADJLNV-OVCLIPMQSA-N	412.363	6.111	10	10	HKCE	
CCN1/C(=C/C=C2\SC(=S)N(C)C2=O)Sc2ccc(-c3ccccc3)cc21	13476551	YEZFJUVGGGOIAT-ZAORYEFMSA-N	410.589	5.501	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461142	PWHSJBPBOSXYPK-VWKPWSFCSA-N	416.315	5.006	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14462219	GWNSDYSVCXAXDG-OHTANWTRSA-N	418.581	5.917	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466613	VIIMYRWSGYHLMU-RPWDQDSNSA-N	416.974	5.243	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471823	PEQKRNKVNCPNBB-MIZPHKNDSA-N	417.509	5.484	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476446	KVKAAEORUYBRCM-RHGYRFJNSA-N	416.452	6.139	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477748	RUGPGDAYVXBFRS-HYFFOGBASA-N	404.337	6.235	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480062	HDIIWKDTQPEOSH-ZEVJAHDQSA-N	408.545	5.794	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	20711995	HLSSFEKAEHXGME-XCGNWRKASA-N	413.348	6.056	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764414	JHFPSOQHSTXSGR-BVAGGSTKSA-N	418.512	5.715	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1Cl	34377598	RDJIBJGTGDGJGK-OVCLIPMQSA-N	414.766	6.361	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(Cl)s1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911475	YUHDEJXCPFASSD-CYBMUJFWSA-N	423.921	5.622	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086487	LHACLHOKVYUXKT-XSFVSMFZSA-N	404.516	5.542	10	10	HKCE	
Ic1ccc(NN=NC2CCCCCCCCCCC2)cc1	1860491736	VNRMAUMWRNJTOJ-UHFFFAOYSA-N	413.347	6.744	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865658181	COKZTVICZIUVJC-QJOMJCCJSA-N	414.936	6.472	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664401	BGKOLNZOKKZUMJ-RCCKNPSSSA-N	418.880	5.192	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OCC	1865666431	KPYYWQKGJKIUBS-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCCCC(=O)O)sc(C)c1-c1ccc(C)c(C)c1	1866067163	OFNCCHPXIDJXOW-UHFFFAOYSA-N	417.527	5.101	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3cc(Cl)cc(Cl)c3)c2)c1	1872843058	MSQFSFXKJFCXJT-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	1915404528	OAAQUJDYOCHVIF-IBGZPJMESA-N	419.407	5.115	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2223535840	SZDNHTBXIJAGQQ-HNNXBMFYSA-N	411.334	5.609	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N12	2297317059	BQBRQZGQYPOBFE-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
Cc1ccccc1NC(=O)CN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314842376	SOHVCDFUDJRHAC-UHFFFAOYSA-N	424.591	5.132	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2332148210	LLPNMJNJDITEJU-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)C3CCCC3)ccc21	3057294	WVORCIFOWVZCMZ-UHFFFAOYSA-N	421.654	6.218	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462260	GOYHTTGLZQDZCM-OBTVHEKISA-N	417.597	6.344	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477303	DGOUZPYNMYLWSD-ZMPRRUGASA-N	415.364	6.302	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14480504	LOAPUCDWDTUTHQ-SQGPQFPESA-N	417.290	5.516	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	14551068	QASZDDLPQBJQSF-IMSXRSKXSA-N	417.509	5.293	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1O	20691014	LHEPLQWUIOJSOG-FHAGJXEFSA-N	412.489	5.480	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226656571	UPGBOXYWRSBAPH-ALTZYDRJSA-N	424.588	6.591	10	10	HKCE	
C[C@H]1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1	256018072	LXQCXLWVMPZPFQ-INIZCTEOSA-N	417.473	5.780	10	10	HKCE	
COc1ccc(NC(=O)OC(C)(C)C)c(NCc2cc(Cl)cc(Cl)c2O)c1	312206388	MPBVLQMREIWQGG-UHFFFAOYSA-N	413.301	5.667	10	10	HKCE	
CC[C@@H](NCC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	397551566	VLSGVENROIHYKN-OAQYLSRUSA-N	417.391	5.108	10	10	HKCE	
CN1/C(=C/c2sc3ccc(Cl)cc3[n+]2C)Sc2cc(-c3ccccc3)ccc21	1614994371	DFQOKMOEAWXZHT-UHFFFAOYSA-N	421.998	6.587	10	10	HKCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	1772755307	WVPBUNBHXDEGDH-KIJTWREASA-N	423.559	5.139	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(Cl)cc1Cl	1860084933	ZEGGWHOJUFOHQO-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)c2c1	1860085944	WYWBEXBWYBHKBT-REZTVBANSA-N	400.912	5.236	10	10	HKCE	
CC(C)Oc1ccc(-c2nc3cc(C(=O)Nc4cccc(N(C)C)c4)ccc3[nH]2)cc1	1872737648	APDPYJVEIHGILK-UHFFFAOYSA-N	414.509	5.335	10	10	HKCE	
CC(C)(C)OC(=O)N(CCNCc1c(O)ccc2ccccc12)OCc1ccccc1	1941539703	WAKKSWCNMLALQN-UHFFFAOYSA-N	422.525	5.004	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2034781714	UTAHRTSOAMKMNI-UHFFFAOYSA-N	400.316	5.354	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c4ccccc4cc4ccccc34)SC2=S)cc1	2053528275	ARGAKMWQPQLIHG-UHFFFAOYSA-N	411.551	6.707	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2293749588	VTXYFDYJCBKWJJ-UHFFFAOYSA-N	405.500	5.590	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc2ccc(C)cc2nc1N1CCCCC1	2297309485	QUHAOQRSSOXKLW-UHFFFAOYSA-N	410.521	5.340	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC	2321614914	NFMRZAYJBANGHM-UHFFFAOYSA-N	417.527	5.419	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	2321664048	UJBPVYODUFNKMY-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	2321683327	XDYBAAUGIUFIMI-UHFFFAOYSA-N	422.619	5.891	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O	2321708859	MCFRRXLANAEVFC-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	13641771	OGEBEVSBHQQMDB-STSQHVNTSA-N	422.525	5.133	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14545660	FKOJUUYCKKKXNB-JWZKTCGFSA-N	411.545	6.533	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)s1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20689771	NQLYXFKOBCZFHO-HWHXTQLESA-N	414.574	6.550	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1	97371945	QDLXTRWWJPPIEU-OQLLNIDSSA-N	409.363	5.573	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3F)C2=O)cc1OC	1858591211	DFDAKRYQIOAJAO-XDHOZWIPSA-N	417.527	5.025	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cccc(Br)c1	1865657027	ZRXWNBGULULNGB-DEDYPNTBSA-N	411.343	5.648	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O	1865668258	OEFVHLINBSZXLH-UQQQWYQISA-N	410.517	5.552	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cn(C)c4ccccc34)C2=O)cc1	1865670883	XJQNQEFKRDJKNC-KQWNVCNZSA-N	407.473	5.021	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865679177	ZIDBAISUVRKKHW-PDGQHHTCSA-N	411.263	5.967	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ccccc3n2)sc(C)c1-c1ccc(C)cc1	1866145775	CUWVGKDIIWXEPP-UHFFFAOYSA-N	416.502	5.619	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079999176	GUNLLINCSKFWFP-LJQANCHMSA-N	404.938	5.549	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	2297459221	PJBSXDWCBZLVSE-UHFFFAOYSA-N	411.288	6.368	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1OC	2321569944	IIXMIAXKANYGRW-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccn2C)cc1	2332128968	WQFWTTYGBREMSO-UHFFFAOYSA-N	407.473	5.021	10	10	HKCE	
COc1ccc(N2N=C(C)C(=Cc3ccc(OCc4ccccc4C)cc3)C2=O)cc1	2332133242	RBEMMZADWNFKPJ-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1	4729457	NAFXRZWOCSMECU-BKMJKUGQSA-N	416.521	5.194	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460247	QPYZHBRTJLMRHX-MZKRTTBSSA-N	400.909	6.419	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	14478385	WHIYVVMAIJFQJO-GLDPYIMESA-N	417.509	5.438	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479644	ATJMDHQZXPSCTB-YBJWPOLQSA-N	407.510	5.088	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14552346	ZENQIEWEZKCXKS-FBLLAGFSSA-N	412.558	6.487	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(F)cc2)[C@H]2CC=C[C@@H]32)cc1C	20754546	KCRPJMWSQBBBTP-OTNCWRBYSA-N	412.508	6.521	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226663660	XFTOPUTYNRZMPY-QYXIYQDXSA-N	414.574	5.856	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	226693470	KKVXUGIWGJMHFH-VWKPWSFCSA-N	411.889	5.813	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226713652	KBOZJTZXWQSQNR-KHCICDEESA-N	408.973	7.029	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	251223271	ITXABGMGUREIJO-PFBKUSTMSA-N	414.574	6.374	10	10	HKCE	
Cc1ccccc1-c1nc(-c2ccc(CSCc3ccc(N)cc3)cc2)cs1	1857850356	IJZHHCNSVNVVHD-UHFFFAOYSA-N	402.588	6.801	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664857	ODMVECKVBNGEFR-RCCKNPSSSA-N	402.881	5.179	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667506	ZQEUFPVGXFHQJY-PXLXIMEGSA-N	402.469	5.569	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H]2CCC[C@H](C)C2)sc(C)c1-c1ccc(Cl)cc1	1866248388	XSVKOMGPJAIHSK-BBRMVZONSA-N	419.974	6.318	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=CNc2ccccc2Br)SC1=S	2296842943	IMTMTPVPHLHOAE-GFCCVEGCSA-N	419.369	5.324	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099874	MPBALRMYMGHEEQ-UHFFFAOYSA-N	415.364	6.483	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134444	YYMDBRXMXJASML-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
O=C(N[C@@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O)c1ccccc1	2811361	JOLVTJDJGLWIHV-DEOSSOPVSA-N	404.469	5.613	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)[C@@H](C)CC)ccc21	3585614	IVUWOAVFIKBKCR-NRFANRHFSA-N	423.670	6.464	10	10	HKCE	
CCCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2c1N	12250037	AXPPENGMTRIWIH-UHFFFAOYSA-N	416.546	6.396	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2	13636301	IKRDYYSCGBNWBP-FBLLAGFSSA-N	404.554	5.784	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465716	VLOOWOKFVYTCRE-DPLHUUCSSA-N	423.988	5.238	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	14472487	MMRYWHATPBOGMI-DPLHUUCSSA-N	411.461	5.674	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549145	OPYCGPNRMNLGAO-QHWMMSMNSA-N	406.485	7.036	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(SC)cc1)[C@H]1CC=C[C@H]21	14552206	SJEARSDUOATMNR-IPJJNNNSSA-N	408.567	5.001	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710441	AUNNXHXFOVYIOV-WYEJZRMESA-N	422.355	7.399	10	10	HKCE	
CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	34771218	HUIRCYQLULEZEJ-GIJQJNRQSA-N	416.930	5.313	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226725195	WYHWFVWWWHFFGK-VWKPWSFCSA-N	401.337	6.559	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856961	PVGYDJNIFCCCTG-MCFFVMPBSA-N	415.364	6.350	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1860084027	LPCRKKBQEJUUKL-YBFXNURJSA-N	406.488	5.462	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c(O)c1	1860084316	KRUJUGXMIANOPT-VIZOYTHASA-N	424.316	5.008	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	1860084978	DHPKDVDXMLNGJP-RQZCQDPDSA-N	424.374	6.186	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3cc[nH]c3c2)sc(C)c1-c1ccc(C)c(C)c1	1866001851	VNJPRHCYQNTIAT-UHFFFAOYSA-N	418.518	5.861	10	10	HKCE	
CCCCC[C@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC)C1=O	1873166801	HTOYHCHOXDCSGV-NRFANRHFSA-N	421.585	5.142	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccccc1	2294002067	HSERMQDTZAICPH-UHFFFAOYSA-N	410.676	5.049	10	10	HKCE	
Cc1cccc(N2C(=O)C(=C3Sc4ccc(Cl)cc4N3C)SC2=S)c1	2295182021	RQFUNKQGLREZAC-UHFFFAOYSA-N	404.969	5.424	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)c1	2297624962	OQRSDDDSEGGCSZ-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=S)N1c1ccccc1	2314488312	NJVJPYNIJMQHRF-UHFFFAOYSA-N	408.460	5.897	10	10	HKCE	
O=C(NN1C(=O)C(=Cc2cccc3ccccc23)SC1=S)c1cccc(Cl)c1	2314765187	XDAMHLHIQWZVGH-UHFFFAOYSA-N	424.934	5.039	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccccc3OCCC)C2=O)c1	2321687314	JURJJODFILRYTF-UHFFFAOYSA-N	413.564	5.670	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321721334	MLHQVZISTIXOOF-UHFFFAOYSA-N	410.347	5.716	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1	2332114761	NTELAOOGUZVJMY-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332119304	XXSPOYMBUHKTOL-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1c1ccccc1	2332133196	MTLBLMNDYRKCFT-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1	2554903	FYVQSXRFGAIFQK-UHFFFAOYSA-N	420.461	5.159	10	10	HKCE	in-vitro
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477199	XMVQNDKFYYASCP-ZMPRRUGASA-N	404.337	6.235	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477768	VIWNLFWXPPOPLO-JXQFQVJHSA-N	422.355	7.399	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477775	GBDCQSHPKKZEJO-GCKMJXCFSA-N	404.337	6.235	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545843	YRWKWYSITGCRTG-BCQCSXDESA-N	424.544	6.188	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2)N1CCCCCC1	14548563	AGZGSYMPWZWAHM-NJNPRVFISA-N	414.596	5.139	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550355	KVFLPZJBNIIORJ-NPZLAWLJSA-N	424.544	6.013	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(O)cc2O)N3)c1	14553522	RSMGEHCTVAWPKN-WZOHSFFVSA-N	412.489	5.485	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Cl	17083320	OPHPSPGDVMJZBY-XDHOZWIPSA-N	406.288	6.021	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(cccc4[N+](=O)[O-])[C@@H]4C=CC[C@H]43)ccc21	20684505	OMJFVEBZXFLYMA-IZJXBPLLSA-N	409.489	6.549	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=S	33793301	YSPKQKWJPKHKKR-YFUPBZDXSA-N	418.996	5.673	10	10	HKCE	
Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	34772365	XVDXFZJAAFEREE-CIAFOILYSA-N	422.481	5.136	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	250497952	CDYNEZKSKLVMSC-XFQAVAEZSA-N	400.736	7.627	10	10	HKCE	
O=C(O)c1cc(-c2ccc(N=Nc3ccc(O)c4ccccc34)cc2)nc2ccccc12	254865959	RELFBJRYKDQCQD-UHFFFAOYSA-N	419.440	6.874	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1OC	1860075128	JOPMKELQZZJSRL-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
CN(Cc1ccsc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2006175331	CSBAWLDSJAJJBS-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2034819090	BRZNUNPHCLKOKF-ROUUACIJSA-N	403.408	6.171	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2034821735	IDFWEGVDXSIDQK-IRXDYDNUSA-N	403.408	6.171	10	10	HKCE	
CCCN[C@@H](CCCNC(=O)OCc1ccccc1)c1ccc(N2CCCC2)cc1	2236025695	YKBYFGZDMZPTSR-DEOSSOPVSA-N	409.574	5.034	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	2296453255	CRIRHAMCJUUUDY-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N12	2297314553	HXXUXZPCTZUGTA-UHFFFAOYSA-N	423.925	5.394	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321643819	WOBQASBAADNVNA-UHFFFAOYSA-N	412.536	5.607	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3c(F)cccc3Cl)C2=O)cc1	2332100001	AXYYTEJOGKNURK-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464647	KLOMCKYIGYKTAZ-FEAPDONJSA-N	424.544	5.575	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711882	PDEJQYFIHQBOFG-WIEQDCTASA-N	415.364	6.350	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1OC	20715890	ATJMDHQZXPSCTB-LUCIHVKJSA-N	407.510	5.088	10	10	HKCE	
Oc1ccc2ccccc2c1CNc1ccc(Br)cc1Br	36956991	VUONLUSOWYXTGL-UHFFFAOYSA-N	407.105	5.683	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(N=Nc2nc3ccc(OC)cc3s2)cc1	252593531	BKQNVXIFCUZQJJ-UHFFFAOYSA-N	402.523	6.747	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858588211	VGCWWICOJATJSN-CBCRCEPXSA-N	422.413	5.475	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	1860084196	PHHDNNJEIKAZBT-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CC(C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1946824623	RFFKVAAUHFAFSB-UHFFFAOYSA-N	419.588	5.462	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2034812180	ASMFXATVOZPWDW-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100218542	DOSNPJNBIYIGRE-ONGXBYRLSA-N	418.375	5.323	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)c1	2332116578	DSPUHYRMGJFUPJ-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133400	KAWHRHGIIAVZSP-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
C[C@H]1CCCN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737888	AJIKZRYIVJAIFY-INIZCTEOSA-N	401.510	5.266	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457686	LMQDAWHFIDLPBZ-MRCUYLHHSA-N	408.545	6.691	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)cc2)[C@H]2CC=C[C@H]32)CC1	14465253	WSEDJNUBHVGRLB-SXWKCWPCSA-N	406.957	6.039	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552302	IOEPFYHSLFMQRX-JTAQYXEDSA-N	408.567	5.001	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698033	MNRKWRVOAFZVJO-OUMCCJGNSA-N	416.565	5.545	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Cl	34139160	GEVPSOQVSBTABD-JXAWBTAJSA-N	402.837	5.720	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)cc1	34139165	QEIJWMCFXLKTIW-RGEXLXHISA-N	401.849	5.510	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccco1	96505048	JPUXRIZNRLWZCR-DEDYPNTBSA-N	407.516	5.260	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	102796484	YVSWRWUXVHHQPL-XDHOZWIPSA-N	407.813	5.314	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2	226847249	BZJUAIIRANBGNU-IMWIBFENSA-N	418.518	5.020	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1	526232947	XFYXJUHDCGHEAC-JOCHJYFZSA-N	404.535	5.434	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1	1858591488	POOCSRKCWQHFCV-HMMYKYKNSA-N	414.571	5.116	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1C	1860076542	IKMMYZGMXIZGEF-CXUHLZMHSA-N	422.344	5.611	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC	1865666807	SYOAEQWFKGNLBN-LGMDPLHJSA-N	418.415	5.223	10	10	HKCE	
CCc1nn(Cc2ccc(Br)cc2O)c(Br)c1C(C)(C)C	2079616095	HSAPUMIJWXWSLW-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1	2081626217	PGSCVRYPLPSIOE-NXKQUTRSSA-N	423.641	5.510	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cc1Cl	2180957579	QOZGGPBHQIBGIX-SNVBAGLBSA-N	414.293	5.113	10	10	HKCE	
CC(C)(C)OC(=O)NCCc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	2204109348	DZAYZLZOJCITBD-UHFFFAOYSA-N	411.329	5.378	10	10	HKCE	
O=C(C=Cc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O	2293594317	MAVAPSCAANIDKJ-QFIPXVFZSA-N	402.881	5.437	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccccc1C(=O)O	2297506205	BNSUMIXPHSZFDF-UHFFFAOYSA-N	424.671	5.064	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323767156	ZORKEQVDZSIXEC-NSHDSACASA-N	422.344	5.551	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OCC	2332106707	XIVBYQGHKTZFQN-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
C[C@H]1C[C@H](C)CN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737884	ZGLZRVMECBNBCT-IRXDYDNUSA-N	415.537	5.512	10	10	HKCE	
O=C(O)CS/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1	7367546	VNNQLMKBMJHDFE-ZHZULCJRSA-N	410.564	5.603	10	10	HKCE	
CCOc1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21	13642660	FFLYWWATXXBUOA-FCDUAZGNSA-N	408.545	7.040	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1	14472305	DGPWXFDHQRUJRB-DPLHUUCSSA-N	417.509	5.293	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	14543696	YUIILSZECHYCFA-PPJWLVRDSA-N	416.565	5.784	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764636	QYYUDNNKBVTBBK-ISKFKSNPSA-N	424.903	5.806	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)c1	54620753	ZPBUVPLWFNSSDQ-QFIPXVFZSA-N	418.518	5.770	10	10	HKCE	
CCN(Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1)C(C)=O	71998847	COZMRCSXDRNFRC-UHFFFAOYSA-N	423.944	5.368	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(N=Nc3ccccc3)cc2)nc1	256020873	ILPJPZZBLYWSDP-UHFFFAOYSA-N	409.515	5.271	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1cc(O)ccc1O	382922146	BEAMJJUUMXIYHE-ZETCQYMHSA-N	421.516	5.449	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526172147	QJROKTDEETWZMR-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526174373	RUXYALCFUAGIJD-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860084389	VPRSXFINGZBVNP-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1Br	1860086175	OJLMHBVIHVLCMV-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865665064	ZNGNFFNTNCZHTQ-PXLXIMEGSA-N	416.908	5.487	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2CCC)cc1	1865668249	NRWKZSSGTXEZJI-CJLVFECKSA-N	410.945	6.101	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1	1911667489	ONRIWZOWEFKNNS-UHFFFAOYSA-N	411.423	6.010	10	10	HKCE	
Cc1ccc(O)c([C@H](C)n2ncc(C3CCCCC3)c2I)c1	2070311320	ZWDKZUAFRIXSPC-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
CC(C)c1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079742879	UETNJHKENVIQTH-UHFFFAOYSA-N	419.285	5.839	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1	2297357192	DKBDNCVMCSDIGK-UHFFFAOYSA-N	408.523	5.639	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1	2313682144	WDRGUZWXCMHESF-UHFFFAOYSA-N	417.321	5.712	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c1	2332116717	ROPTXRRTKOPAKE-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(Br)cc1	2332147496	HIOLQZZRTWDXJO-UHFFFAOYSA-N	411.343	5.648	10	10	HKCE	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	4591086	YLFIUWXRLZYIIY-CYYJNZCTSA-N	416.868	6.971	10	10	HKCE	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14471598	XUEBTWSKQGHHBN-RLFYNMQTSA-N	418.234	5.026	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475328	KBZVLYRMQROZBR-HZLPDVBGSA-N	424.544	5.575	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549143	OPYCGPNRMNLGAO-WCYRKSIYSA-N	406.485	7.036	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550456	SWXCUWASWHVZJF-DPZBCOQUSA-N	413.517	5.980	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	19890260	WXBFERBYEBBCNO-MYIHVTGJSA-N	405.497	6.606	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	19892889	KHBJOGOGWCPFRV-RNHFSVANSA-N	411.501	5.879	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711640	OCKDOVNSYALBKA-CKNLXJGOSA-N	415.364	6.348	10	10	HKCE	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1	103564106	KTDLRBRNXKPBRM-SAIIIAOYSA-N	424.551	5.404	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(F)c(F)c2)SC1=S	1860084007	KETPFUJBEAXQOW-FRKPEAEDSA-N	411.882	5.341	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1	1860084644	YWWQTMWDSZYFDD-GIJQJNRQSA-N	419.955	5.325	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccccc2C2CCCC2)sc(C)c1-c1ccccc1	1866234604	RDPUJAHBVUNBNC-UHFFFAOYSA-N	419.546	6.420	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2034820284	JYNMIUUDVXGXIU-MSOLQXFVSA-N	403.408	6.171	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2231452626	NFJVLNMFXQHXKP-RTBURBONSA-N	417.435	6.388	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2296882396	SJQDWIZSAGBHJK-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	2321647014	MTBKBDLSKXSUHE-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118547	XWHFGFAHTKMJNI-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCCCCC[C@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1	4729923	UADYKNRNHNUSLE-ZJSXRUAMSA-N	414.977	6.265	10	10	HKCE	
CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C	6601794	DFNBIIKFLUIGEF-LICLKQGHSA-N	419.706	5.307	10	10	HKCE	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640770	OAICMBVHVXZLMP-LRDNONRASA-N	406.309	5.846	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464452	VLTPDPOMKKRNAR-NSROOHRNSA-N	423.600	8.016	10	10	HKCE	
Oc1ccc(/C=C/c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1O	15017278	CLAMLALJIZIHNG-IZZDOVSWSA-N	403.865	6.049	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711707	OWHLLPJFGCKNRP-JZKQVHKSSA-N	401.337	5.960	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226711592	BKGJQTGSZSDCIN-TZBSWOFLSA-N	404.554	5.926	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226720196	YKKCRENVBSLMHG-PQNGQFLHSA-N	423.988	5.238	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21	226891004	GJWINZDCVDKGHM-HKZYLEAXSA-N	416.735	7.332	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	226897682	FKGZMBKFJATIDG-SYGROXHTSA-N	412.533	5.900	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	251314171	FKGZMBKFJATIDG-QEPKRUPFSA-N	412.533	5.900	10	10	HKCE	
CC(C)CCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S	1858594229	QBZNXIJUYAFKCI-WUXMJOGZSA-N	420.781	5.055	10	10	HKCE	
C[C@H](Oc1ccc(N)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	1860083067	CHROFMSHPGBRTO-JTQLQIEISA-N	408.310	5.105	10	10	HKCE	
Brc1cc(CNC2CC2)ccc1N(Cc1ccccc1)Cc1ccco1	1915120114	RIUYEKSGVLKJEI-UHFFFAOYSA-N	411.343	5.501	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C(=O)O)c2Br)C(C)(C)C)cc1C	2079980053	YJSBSFILDLFXQJ-QGZVFWFLSA-N	421.335	5.179	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)SC1=S	2314646939	VMGIZPIRUPGCAR-MRXNPFEDSA-N	406.617	5.688	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	2314926533	LGIMOQNNQJIMLL-UHFFFAOYSA-N	405.585	5.402	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(CCCCCCCCCC(=O)O)C1=O	2314926685	PHEZFFSMTWPTAX-UHFFFAOYSA-N	421.584	5.102	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	2330153059	UKXLSFSQNUVGER-UHFFFAOYSA-N	420.534	5.564	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OC)c1	2332106605	LXQOJNQZRBKTHK-UHFFFAOYSA-N	406.526	5.312	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125448	CRDJNZCRLFYOTE-UHFFFAOYSA-N	410.489	5.203	10	10	HKCE	
Cc1cccc(OC(=O)c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2N)c1	1455389	IJNLUVHVKZPMPS-UHFFFAOYSA-N	418.396	5.685	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1Cl	6859990	RANWFAGXMIZABO-OVCLIPMQSA-N	407.720	5.493	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13644616	WYVIADBTFOYGGG-BXTSTYNKSA-N	410.561	6.201	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550330	UGQFYUCFTBJTQR-FBLLAGFSSA-N	410.517	5.452	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552301	IOEPFYHSLFMQRX-QTEQDKRBSA-N	408.567	5.001	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1	33315539	IEIMQIVWYRUZIA-XDHOZWIPSA-N	421.499	5.359	10	10	HKCE	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=O)cc1	33596696	SPEZYNYZNKESTA-SFQUDFHCSA-N	422.824	5.115	10	10	HKCE	
CC(C)Oc1ccc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1	40944817	PJXLZQMPEHJHJN-UHFFFAOYSA-N	424.547	5.551	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1	59230177	AAGRVIVXYHHLLP-JCMHNJIXSA-N	402.881	5.492	10	10	HKCE	
Cc1cc(Br)c(NCc2cccc(Br)c2O)cc1Cl	127326963	FPYYKGXFELTNCW-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226654780	YXXNFSZDPWHJLW-REHUZNOOSA-N	410.583	5.127	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526293295	GSHDCRDCJBFOHO-XMMPIXPASA-N	416.496	5.729	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	1865670435	ZRAGCFKXCIVEFB-PLRJNAJWSA-N	418.496	6.073	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S	1871287672	TYKSIURIUQYVJE-YBFXNURJSA-N	417.983	5.776	10	10	HKCE	
CCN(CC)c1ccc([C@@H](O)c2csc(Br)c2Br)cc1	2163104181	BXRAHTLVYXNZFP-CQSZACIVSA-N	419.182	5.201	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2231471450	GXOTUPRHYQWPJU-GOSISDBHSA-N	415.419	6.144	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1cccc(Cl)c1	2293520666	CJTDRRCYTZNPER-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1	2321706138	IEYCTGJOMHFYIY-UHFFFAOYSA-N	419.955	5.486	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccc1F	2321734360	IXAWYPWSEAZGPP-UHFFFAOYSA-N	413.417	5.439	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	2332104281	REGOUCHEQZWQKN-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c1	6971293	TVJLOTKNPXJXGH-JKDFXYPNSA-N	405.679	5.837	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467116	GXTHJNOZVZHDKJ-PSVSLLHZSA-N	407.253	5.442	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14549010	HYLAUMAHNWEVJB-ZYLNGJIFSA-N	400.547	6.146	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20687385	LUTGDELHSMOMHS-PLXFJCCSSA-N	409.533	5.831	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710516	KVKAAEORUYBRCM-YTZAWJCFSA-N	416.452	6.139	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753419	GXVDVFXPFIISKP-FHAGJXEFSA-N	410.448	6.867	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	20764176	RAKGBKFUGGQGCQ-ZJSXRUAMSA-N	424.903	5.806	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)cc1F)c1cc(Br)ccc1O	21013680	HAQJIEBVDPMAIT-CYBMUJFWSA-N	403.089	5.620	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C/C=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1	210159092	VQKOXFBDYKEFFT-WSBRPHFPSA-N	424.547	5.899	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccccc1	226676591	WXYZSLCFORXDRN-ZFGGDYGUSA-N	400.909	6.419	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	226854316	PIYOCVMSYSDOKK-JLHGSKIFSA-N	423.900	5.311	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	251022867	PTQJIRXAIOCYDH-DNRQZRRGSA-N	404.554	5.205	10	10	HKCE	
CC[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1ccccc1O	379669665	DYVKGNFTGANZAP-CYBMUJFWSA-N	419.544	6.134	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526421613	LFSLFYNNZQCWLD-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
C[C@@H](NCc1ccc(Br)cc1O)c1ccc(NC(=O)OC(C)(C)C)cc1	691394104	ZYDRNIQAAFFDMX-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
Cc1c(Cl)cccc1N=Nc1cc(Br)cc(Br)c1O	1083920294	JFHKXHSVUOSPCH-UHFFFAOYSA-N	404.489	6.294	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1	1860076585	MFTZWIDKTOWIET-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	1860086154	NDNNLGLQFRHSOM-LTGZKZEYSA-N	424.591	5.481	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2ccc(Cl)c(Cl)c2)cc1	1865664671	JHLPAWJUZUZXCD-LICLKQGHSA-N	403.309	5.288	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	1865665742	JOCHZKHRFUVPAF-AQTBWJFISA-N	420.871	5.323	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccccc2OC)sc(C)c1-c1ccc(C)cc1	1865942935	PNGANXGYNSSRDD-UHFFFAOYSA-N	409.507	5.008	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(C)cccc2C)sc(C)c1-c1ccc(C)c(C)c1	1866198786	PLKRNXOQXXIUMP-UHFFFAOYSA-N	407.535	5.996	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2034792095	PQAZBNXPWKQDJY-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	2294271282	JUJZHPMUVKGOGA-UHFFFAOYSA-N	411.461	5.132	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	2321646766	KDXQQVDUOQXOSF-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cccc(Br)c1	2332097916	ICDWUNRIHMBDTG-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106786	FMQXUGURSZQSGN-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1OC	2332125699	FRPMZBXABQELIB-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457289	PCXPABKFQVDPGM-JXQFQVJHSA-N	418.537	5.099	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466801	FADPLTDBAOGZEB-ZYLNGJIFSA-N	414.936	6.443	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550489	GLXMAVNOUGVXSY-BXTSTYNKSA-N	411.545	6.533	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14550603	YZOBISMXQHPJEX-WRALFONMSA-N	402.538	5.538	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14552038	JZYWYOLTHKZABB-YPIYEQTHSA-N	420.578	5.144	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	19893021	ABOCIAODVGAOTG-YOSAUDMPSA-N	422.355	7.399	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21	20701401	QHHCUOGGJYFBNH-GLKRBJQHSA-N	411.126	6.288	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20704679	VPHPKXLYXZBBCT-VWKPWSFCSA-N	414.889	5.490	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O	59859656	OAKUGAWCRAGQGF-PDGQHHTCSA-N	406.825	5.009	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/CCc3cnn(-c4nc5ccccc5s4)c32)cc1	111080392	ALTDELLJAUVAER-SDXDJHTJSA-N	400.551	5.815	10	10	HKCE	
Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)cc(=O)c2c1	170556919	AKMDDAPIMIBKGQ-UHFFFAOYSA-N	412.489	5.395	10	10	HKCE	
O=S(=O)(c1ccc(N=Nc2ccc(O)c3ccccc23)cc1)N1CCCCCC1	1084242483	DQQJAIIZBJDNSC-UHFFFAOYSA-N	409.511	5.526	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858587291	TZKIROBNNMQJCK-NTEUORMPSA-N	402.354	5.370	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(N)cc4)cc3)sc2c1	1860078533	NYOVRUACPVOZLG-HNNXBMFYSA-N	403.507	5.260	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc1	1865669358	KEAAMMWTBIDAPE-UNOMPAQXSA-N	402.416	5.046	10	10	HKCE	
Oc1cccc(Br)c1Cn1ncc(C2CCCCC2)c1Br	2070290842	XXEHFTQYGAOYJL-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2ccc(Br)cc2O)c1Br	2079837202	SVEYLPKOIHMNNJ-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S	2293430077	KSAMHQVYEGQHPO-UHFFFAOYSA-N	412.967	5.564	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321709049	MBGIFJQGAGQUCC-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
Cc1ccc(CN(C)c2c(C)sc(C)c2Br)c(O)c1Br	2380725080	HBCYIKRUKUYFJE-UHFFFAOYSA-N	419.182	5.540	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460865	IMPPOLCQKRFDTC-CKFHNAJUSA-N	401.260	5.198	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475047	IGQNBRGLSNWWNX-JQVVWYNYSA-N	423.297	6.271	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544359	SZPKUOCVJFGKJQ-ISJBWFOZSA-N	401.506	5.700	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20687815	TXNOXAVCJLNGLM-DBXWQHBBSA-N	414.596	5.058	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703171	NBJIZZSOUCMFEN-DNRQZRRGSA-N	422.355	7.399	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	226792266	YSRRZNWAXAEHME-NYULUDCUSA-N	424.544	6.093	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226840061	SCDKSUFNBJZLCA-AALWMKDKSA-N	424.544	5.575	10	10	HKCE	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c1	1860084702	CTKUDWCANLPKTL-XDHOZWIPSA-N	413.564	5.407	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	1860086108	KITSSMJAKZJAER-CXUHLZMHSA-N	404.354	5.472	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(OC(F)(F)F)cc1	1860087710	PFFRBTHVVSLFSS-NTEUORMPSA-N	415.845	5.644	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675014	KLYTZHVTGJZGIZ-CXUHLZMHSA-N	419.308	5.290	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)C(C(F)(F)F)=NN1c1ccccn1	1865679265	DPJVGFGAELQMSB-RGEXLXHISA-N	423.394	5.009	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cncc(C)c2)sc(C)c1-c1ccc(Cl)cc1	1866038171	GMSJCKKFWCWCAR-UHFFFAOYSA-N	414.914	5.509	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2C)cc1	1874127808	KYAMSRCNMVVMSW-GOSISDBHSA-N	402.538	5.473	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)SC2=S)c1	2297356879	VWNXBBLAEWJLOM-UHFFFAOYSA-N	404.560	5.808	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1	2313507490	PKEVCXRJCOXSCD-UHFFFAOYSA-N	409.555	5.256	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2321609768	QQTYPNVCTBTWPZ-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1	2321663831	ZHUQUKSRTPQZPL-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
COc1ccc(CN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2323746045	PYSLZLJHQZCCRF-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14462221	GWNSDYSVCXAXDG-WOLJRWFJSA-N	418.581	5.917	10	10	HKCE	
C1=C[C@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464299	LHWVDCKLQWMYCU-AZIXZEHSSA-N	403.525	7.245	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14466514	ATHACDRMLWHFKF-OREGWCPLSA-N	415.964	7.178	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476390	HIBPMWQPQLGAGG-DYLHXGEVSA-N	412.489	6.309	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	14551150	BOUFHCQDRIXCRF-HFMPRLQTSA-N	411.461	5.674	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14551966	VVCPNBKWZWUSGH-HFMPRLQTSA-N	418.606	6.298	10	10	HKCE	
COc1ccccc1/C=C\C(=C1\C(=O)N(c2ccccc2)N=C1C)c1ccc(C)cc1	33623282	IVZDVNROUSBGJQ-KHANVWSSSA-N	408.501	5.893	10	10	HKCE	
Cc1ccc2sc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)nc2c1C	40965295	VMHDPAQXIDHKSP-UHFFFAOYSA-N	414.486	5.231	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226788856	TZSFARIJXVFKBL-FHAGJXEFSA-N	414.936	6.727	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc(N=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1	257350979	BKDLGNBRCKCHQF-UHFFFAOYSA-N	417.575	5.653	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858590785	IPGJHFLYGYXWDC-XYGUXCPDSA-N	412.418	6.009	10	10	HKCE	
CCCOc1c(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cccc1OC	1865668500	BCACAXZLJIRGES-PYCFMQQDSA-N	412.489	5.319	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Cl)cc1C(F)(F)F	1891067727	YXVUDHBMVMFBRA-YOEHRIQHSA-N	408.851	5.278	10	10	HKCE	
FC(F)(F)CN(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2034711878	ZMAVNZUPFJVHKP-UHFFFAOYSA-N	413.281	5.270	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079970178	OSHFSQQGIASUQM-FQEVSTJZSA-N	404.938	5.549	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1Br	2231476855	BXOZROWMGVZGLP-DYESRHJHSA-N	417.391	5.133	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1	2297298233	XXCVAIQAZFWSAQ-UHFFFAOYSA-N	424.544	6.480	10	10	HKCE	
CCN1C(=O)C(=CC=CC=CC=C2Sc3ccccc3N2CC)SC1=S	2297616501	VFQFGSGWFBLAPU-UHFFFAOYSA-N	400.594	5.337	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc1OC	2323865231	XCCFYCQXVLAOJL-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
O=C(COc1cccc(Cl)c1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	5604235	IDPZYRICUVERNF-VWLOTQADSA-N	417.892	5.483	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463045	VTAIQAXVQAPZJK-HWBMXIPRSA-N	400.566	6.263	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14477057	NGTWEQRHZHCACC-ZSDSOXJFSA-N	413.348	6.056	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546137	OSLXBQQGKMCOIV-WZOHSFFVSA-N	410.517	5.452	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14546455	BBNBOEHUGQUFTJ-LZCXECNNSA-N	410.517	5.798	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546557	RQHDDQGGABVAJL-HOOSLVGPSA-N	407.344	7.564	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14552148	ARDMILDOTRNXGM-DPZBCOQUSA-N	413.586	6.857	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20692085	PIKZTWIMMQDJBD-RQTOMXEWSA-N	422.594	5.386	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2)c1ccccc1	20700992	ZHIGCUDKFWVZMP-IECBHUPTSA-N	400.909	6.419	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	33315499	POBHQSFBMUODMJ-XDHOZWIPSA-N	422.487	5.569	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226748488	SPLQGUPINNYVCE-ZOCZFRKYSA-N	420.336	5.941	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(Cl)s1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917452	QCTCVPMMFNSQMF-ZDUSSCGKSA-N	423.921	5.622	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1860084414	WZCQDHGLQITMFN-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860086713	CIHLYDHXISCICB-OQLLNIDSSA-N	410.347	5.716	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671135	LWPLXKJOTVERTI-LDADJPATSA-N	412.917	5.328	10	10	HKCE	
CC(C)n1cc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc21	1874179294	WVPOWRTVBKLRAN-UHFFFAOYSA-N	422.484	5.179	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2034818511	OEDMJYPYNXSSIC-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1CCC1	2079799716	HJKRUBOHKGQQFN-UHFFFAOYSA-N	417.269	5.809	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080053995	XTZMMTVLQQTEJZ-INIZCTEOSA-N	400.853	5.219	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)C2CCCC2)ccc1CNC1CCC1	2231463043	KSFMYIOSDMWWGK-UHFFFAOYSA-N	413.403	6.040	10	10	HKCE	
Cc1ccc(NC=CC=CC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1	2295187754	IRHGBISZIHBFNA-UHFFFAOYSA-N	406.576	5.464	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C1CCCCC1	2296409936	SJXSYEITZZFSMT-UHFFFAOYSA-N	403.956	6.134	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1c(C)cc(C)cc1C	2297535515	WHHXGAPKNXQXNQ-UHFFFAOYSA-N	407.728	6.378	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1cc(Cl)ccc1Cl	2321646909	FBFNKDAXGRJSCI-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113670	VTWFPFBEALLCJV-UHFFFAOYSA-N	402.469	5.569	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1CCC	2332132862	CEELOSOXGXUPOL-UHFFFAOYSA-N	417.336	6.369	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13636058	KSYBJFKDSTXEML-CLCZQPDDSA-N	411.545	6.533	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14462289	KRQQTDFXAODMNO-PPJWLVRDSA-N	415.581	5.595	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467634	ZGZPEUFMBNEJBK-WHSLLNHNSA-N	404.337	6.704	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@@H]2CC=C[C@H]32)cc1C	14478846	CMAZSZJPDWIKJC-PPJWLVRDSA-N	408.545	6.691	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479686	HZNVBPNZSZPYHK-IECBHUPTSA-N	406.526	5.012	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712508	HLWSMSMWBABADP-SIFCLUCFSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ncc(Cl)cc3Cl)c3cccnc3)c(O)c2n1	54200400	WFVIJHZOAFDFGN-GOSISDBHSA-N	411.292	5.547	10	10	HKCE	
COc1ccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1OC	54621762	NBFQDZSUADZOFO-QFIPXVFZSA-N	406.507	5.529	10	10	HKCE	
O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1	96767396	IEMPIYSRIWACHC-UITAMQMPSA-N	410.455	5.273	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	100374405	GXVDVFXPFIISKP-DFIYOIEZSA-N	410.448	6.867	10	10	HKCE	
Oc1c(Br)cccc1CNc1ccc2cc(Br)ccc2c1	124337861	QTPFXPCCEJEEGZ-UHFFFAOYSA-N	407.105	5.683	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)s1	251230232	LXIYAHJBXQKDQW-YOSAUDMPSA-N	400.547	6.160	10	10	HKCE	
COc1ccc(NCc2ccc(Br)cc2O)cc1NC(=O)OC(C)(C)C	691389914	DLLWBXQDDJARGO-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCN(CCCCO)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	1088704005	WOKAJRBJDBTSCJ-UHFFFAOYSA-N	411.289	5.916	10	10	HKCE	
CC[C@H](C)N(C(=O)CCC1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917420	PNPSHCIEJVAKPG-SFHVURJKSA-N	417.549	5.954	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(OC(F)(F)F)cc1	1860087832	VUHVJZGNYNOITP-NTEUORMPSA-N	415.845	5.644	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc(C)c1-c1ccccc1	1865899642	PJYATKHPFSUFRU-UHFFFAOYSA-N	415.898	5.424	10	10	HKCE	
CCN[C@H](c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccccc1O	2090041170	XURYMOLLOQGDQI-GOSISDBHSA-N	421.335	5.201	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1	2313610319	VJHCDDUSHSKJFY-UHFFFAOYSA-N	403.956	5.925	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3C(C)C)C2=O)cc1OC	2321666817	FXNHATNJVJMTCX-UHFFFAOYSA-N	413.564	5.623	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2cccc(OC)c2)sc(C)c1-c1ccccc1	2326823915	LJFFQDNIFBJYJD-UHFFFAOYSA-N	421.518	5.561	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(Cl)cc2Cl)cc1	2332104892	BXNQKODNIKTPGG-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CC(C)C[C@H](C)Nc1ccc(N[C@@H](C)CC(C)C)c2c1C(=O)c1ccccc1C2=O	5424075	LOIONYUPSGYWKG-ROUUACIJSA-N	406.570	6.155	10	10	HKCE	
CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1	6721785	NCALGPLTBLDDCX-WIOPSUGQSA-N	416.477	5.042	10	10	HKCE	
C1=C[C@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464303	LHWVDCKLQWMYCU-YPZXTKLSSA-N	403.525	7.245	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226857529	UPNJKNLWFMMHKR-JZKQVHKSSA-N	423.365	5.070	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC(OCc3ccccc3)CC2)cc1Br	384138064	XLUWLDJGJBFXAE-QGZVFWFLSA-N	417.391	5.305	10	10	HKCE	
CN(Cc1ccc(NCc2cc(Br)ccc2O)cc1)C(=O)OC(C)(C)C	389131749	PWRVOZOEZGOMBT-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
Cc1noc(C)c1Cc1nc(-c2ccc(CSCc3ccc(N)cc3)cc2)cs1	1857850389	KPAOGGOIYMGKCZ-UHFFFAOYSA-N	421.591	6.021	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673805	XXJPAKCEQKBKTP-MHWRWJLKSA-N	421.697	5.828	10	10	HKCE	
[N-]=[N+]=NC[C@H]1CCCCN(Cc2cc(Br)ccc2Br)C1	2175153702	ZYQPYRDBEHURCL-LLVKDONJSA-N	402.134	5.124	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC	2297681036	JTYMZORGPBRZNU-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OCC)cc1	2332122199	FCZSUUWWWPHRTA-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
C[C@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737883	ZGLZRVMECBNBCT-CALCHBBNSA-N	415.537	5.512	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457933	IKASJYSGVVVSLA-WHCXKFMVSA-N	414.593	6.455	10	10	HKCE	
O=C1/C(=C/c2cc(Cl)c3ccccc3n2)SC(=S)N1CCc1ccccc1	20414058	DOFNOWSQFHCJAM-UYRXBGFRSA-N	410.951	5.332	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1	20763478	RUVSDLFTMKWXDI-JXFKEZNVSA-N	413.340	5.439	10	10	HKCE	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl	33314378	NWKDCNLOPAGMPT-YUSFRKCESA-N	416.836	5.163	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1	59396932	VJHCDDUSHSKJFY-AQTBWJFISA-N	403.956	5.925	10	10	HKCE	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(CC)cc2)C1=O	96640223	AFIVPSWYVLATJZ-LDADJPATSA-N	403.956	5.707	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226788837	BULJZNHXBQVDIY-TZBSWOFLSA-N	414.936	6.727	10	10	HKCE	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	250377786	IONZXMIVHQLPGN-TZBSWOFLSA-N	422.594	5.466	10	10	HKCE	
CCCN[C@H](C)c1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1Br	384109705	HOAPFHIOYFKMFR-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
CC(C)(C)OC(=O)NCc1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1	401290131	KTXCGSQBBGRHMQ-UHFFFAOYSA-N	411.329	5.014	10	10	HKCE	
Cc1ccc2c(c1)c(/C=C1/Sc3ccc(Cl)cc3N1C)cc(C(F)(F)F)[n+]2C	1614374607	AJXMLHDCUZPWIP-UHFFFAOYSA-N	421.895	6.185	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858588505	JPJCMIXHRRLUQR-XGCBPCLTSA-N	412.407	6.019	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1	1860074877	WEKCRTQLUUFZHV-MHWRWJLKSA-N	420.353	5.254	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)c1	1860480746	TXHKPOCVXFHEGF-OCEACIFDSA-N	402.342	5.545	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(F)c1	1891922288	JMJQVJGYWPWPDC-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
Cc1nn(-c2ccccn2)c2c1[C@@H]1Nc3ccccc3NC[C@@H]1[C@@H](c1ccccc1)C2	2080385378	DDKFVQKWTKCFDV-XMERXJNXSA-N	407.521	5.111	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100218224	BFIQHGHBAUXYSR-ONGXBYRLSA-N	418.375	5.323	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2297616285	JJAWWRCDTXNNKA-UHFFFAOYSA-N	402.972	5.592	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1ccccc1F	2313507432	MDZQHJOJMKMZDM-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(Br)cc1	2321664234	QUGXLTCWHJEBBM-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1	2321683393	VTMIWDIMYMYSEP-UHFFFAOYSA-N	417.939	5.095	10	10	HKCE	
CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729503	QYDVTZOFYGNQOR-PZJWPPBQSA-N	401.348	5.367	10	10	HKCE	
O=[N+]([O-])c1ccc(N[C@H](c2ccccc2Cl)c2ccc3cccnc3c2O)cc1	5278174	ZNAGPVDUXCMETL-OAQYLSRUSA-N	405.841	5.704	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465642	TVCQYMDHVLHWTM-IMSXRSKXSA-N	408.973	6.429	10	10	HKCE	
COc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1OC	54621766	RUXMMMZTZVFPGX-HSZRJFAPSA-N	418.468	5.607	10	10	HKCE	
CC[C@H](Nc1ccc(Cl)cc1Br)c1cc(Br)ccc1O	125150324	ZWUQWNLCQACABX-ZDUSSCGKSA-N	419.544	6.134	10	10	HKCE	
CCCN[C@H](C)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1Br	384109708	HOAPFHIOYFKMFR-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1ccccc1Cl	1857996993	USKGSIUEZFOLTQ-UHFFFAOYSA-N	413.836	5.215	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1C	1860076524	HLQMBUNSIYVSLW-VGOFMYFVSA-N	419.984	5.380	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O)Cc1ccccc1	1986600611	OFWQNRDCHLYXBB-MHZLTWQESA-N	400.566	5.195	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	2231463395	OMTXOYXRJOMPPY-QZTJIDSGSA-N	415.419	6.142	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3cc(C)ccc3C)C1=O)cn2C	2321591470	XGXBFSMITDQSPE-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1	2321698397	GOYJXVCOTOQPKI-UHFFFAOYSA-N	411.592	6.360	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	2323681301	NINZZJBSLSBCKF-CAIZAGQASA-N	414.640	5.559	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S	2323852373	YUGFZEURRFEEMR-CQSZACIVSA-N	407.630	5.573	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cccc(C)c2)cc1	2332141285	QYANZPQHSBTOBA-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1Cc1ccco1	1162343	CGLVVFUBGZFKOH-DEDYPNTBSA-N	407.516	5.260	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641780	OGEBEVSBHQQMDB-IXFSTUDKSA-N	422.525	5.133	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460654	FVIZUQMJBXIGFP-LGVFNWMJSA-N	408.973	6.429	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C	17824604	NNFPJXDINMZRRM-OWSVEQCWSA-N	409.490	6.081	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20716131	WQSXONPDXGTSSX-RQTOMXEWSA-N	422.594	5.433	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21)c1ccccc1	20716935	ASOPNUKHULMGAI-MVERNJQCSA-N	408.545	6.488	10	10	HKCE	
CCCCC1(C)OC(=O)C(=Cc2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O1	58833912	SAVVAPLXECJMRJ-UHFFFAOYSA-N	403.478	5.533	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)S2)cc1	59168420	OCUFYFJXBHMZIX-OAQYLSRUSA-N	407.587	5.437	10	10	HKCE	
O=C1/C(=C\C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1	103922276	OGSXRAQJSNLIAK-JXTNESPGSA-N	420.874	5.262	10	10	HKCE	
Nc1c(Oc2ccc(-c3ccccc3)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O	164047902	MUPFNTCMAXTLNZ-UHFFFAOYSA-N	407.425	5.209	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226834070	KLPVJHCZDDVZTR-PZPWOCDFSA-N	417.336	5.196	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226840799	FOCDJZBLCJDQSN-YDIMBITNSA-N	414.461	5.706	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2)c1ccccc1	226842963	ADNVWXUEJWCVGM-YPCDYVTLSA-N	410.517	5.885	10	10	HKCE	
O=C(OCc1ccccc1)N(Cc1c(O)ccc2ccccc12)c1ccc(Cl)cc1	616218018	ZPNSLMYPISHBDY-UHFFFAOYSA-N	417.892	6.542	10	10	HKCE	
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2ccccc2c1O	1307335752	YHUMMNSKIQNGCL-UHFFFAOYSA-N	405.929	6.379	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675228	VKIFIJAIUXEGAO-NCELDCMTSA-N	409.533	5.909	10	10	HKCE	
CN[C@@H](C)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	1892591286	OQFOTAPJMLPAJF-HTAPYJJXSA-N	417.391	5.305	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079828504	LJZNDHAEJSXXLT-UHFFFAOYSA-N	405.258	5.278	10	10	HKCE	
CC[C@@H](C)Oc1ccccc1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	2294623771	HGCWZMJVBZAOTK-GFCCVEGCSA-N	421.946	6.062	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321748997	VJOFGBYJSKSQAW-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(OC)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13636242	OZGIEGSFSJTDEF-FXSPECFOSA-N	424.544	6.188	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1sccc1C)[C@H]1CC=C[C@H]21)c1ccccc1	14456162	OGPNGOSWNYBSPE-NHCICSSKSA-N	414.574	6.550	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463457	IOMDTXAPFMGKGM-OASJLCFRSA-N	416.609	6.899	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477151	RTCCFFTZQVHXFV-SAHWJRBASA-N	402.365	7.245	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544831	OLMWBKNZHDHCIY-JDITYXQVSA-N	411.549	6.057	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20718572	XZHFFKOZONRKCX-DGGJZMOXSA-N	402.450	5.592	10	10	HKCE	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	33699050	JWWAMWPDYFLYHI-YVLHZVERSA-N	405.928	5.153	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3Cl)c3ccccc3)c(O)c2n1	54621893	RAZFVDFJEQMDPB-OAQYLSRUSA-N	409.316	6.757	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)c1ccccc1	226730312	CJCXXJDDDJJALQ-FKIGELJASA-N	416.524	6.919	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1	226910378	KQLUAWRPZLHEMB-ONBPZOJHSA-N	422.572	7.063	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	1083995649	QZOBKBJBQURCSE-OVCLIPMQSA-N	408.863	5.102	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C1CCCCCCCCCCC1	1858587482	FBHADXAXYVHQFK-CAPFRKAQSA-N	405.604	6.700	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590987	RXYLVJCPSGOJCP-REZTVBANSA-N	407.963	5.649	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2cccc(OC)c2)sc(C)c1-c1ccc(C)cc1	1865945351	DIQWOJWEPIMQEN-UHFFFAOYSA-N	423.534	5.398	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H]2CCC[C@@H](C)C2)sc(C)c1-c1ccc(Cl)cc1	1866248390	XSVKOMGPJAIHSK-CZUORRHYSA-N	419.974	6.318	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915373717	NKBLYQOHZAMCBL-INIZCTEOSA-N	415.400	5.998	10	10	HKCE	
Oc1c(Cn2nc(C3CCC3)c(C3CC3)c2Br)cccc1C(F)(F)F	2079772765	RNHLUJZMBRVOJB-UHFFFAOYSA-N	415.253	5.563	10	10	HKCE	
CCc1ccc(NCN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2297321118	XEHPOJCGXZKEFF-UHFFFAOYSA-N	423.390	5.827	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1Cl	2323864950	ZVYOFTBCPJEJKP-UHFFFAOYSA-N	424.772	5.504	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CC)cc1OCC	2332114142	XCQJMRVYCWCAFO-UHFFFAOYSA-N	406.526	5.851	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2CC)cc1OC	2332125835	UYQWREHCUKZTAN-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141235	LZCGNMMRQSSJAS-UHFFFAOYSA-N	424.544	6.074	10	10	HKCE	
Cc1ccc(CN[C@H](C)c2ccc(Br)s2)c(O)c1Br	2352690404	GMEJHJYDADVFLD-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
CC[C@H]1SC(=S)N(CCCCCC(=O)Nc2cc(Cl)ccc2Cl)C1=O	11636715	GHSMASYXCGBCRK-CQSZACIVSA-N	419.399	5.131	10	10	HKCE	
COc1ccc(CC(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	14004245	QGNZYEYFKSHVSZ-OCEACIFDSA-N	404.495	5.166	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469630	XBVQSGUNIZXRPB-AOJNWGRGSA-N	412.489	6.309	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471207	VPHPKXLYXZBBCT-MRUHUIDDSA-N	414.889	5.490	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20752199	FKGZMBKFJATIDG-JBIPLYDMSA-N	412.533	5.900	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2	33735622	RSULXSVOUGRRFJ-FRKPEAEDSA-N	424.330	5.124	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1	1860073424	DSBFPYLNDADFLC-HMMYKYKNSA-N	412.580	5.337	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2CCC)cc1	1865670013	DMPOGBCOTIVPLN-HAVVHWLPSA-N	424.972	6.491	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNCc1cc(Cl)cc(Cl)c1O	2184315253	IJIBWFMIPIKYMG-MRXNPFEDSA-N	417.377	5.214	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1	2296680714	KAZFAZZWDRLNSG-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCOc1ccc(Cl)cc1C=C1SC(=S)N(c2ccccc2OC)C1=O	2297366731	KQEDQWQDXJWYNX-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccc(Cl)cc1	2318683510	FRYYXEAJRPOVHB-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1	2321591352	MFTZWIDKTOWIET-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@@H]4CCCC[C@H]4C)C3=O)n12	2323790870	QLRQWGXMGWJMIM-MWLCHTKSSA-N	412.005	5.138	10	10	HKCE	
CC(C)N(C(=O)C=Cc1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	2329480889	KFKIKYVHROLHJP-UHFFFAOYSA-N	413.448	5.056	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332099791	FANYNVSJWWLAGB-UHFFFAOYSA-N	416.402	6.342	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1c1cccc(Cl)c1	2332099973	YCJOOUQYEGOCRM-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OCC)cc1	2332122470	WVWYOQXSUPWICI-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332130656	MLZGSXKAIGADTP-UHFFFAOYSA-N	415.459	5.185	10	10	HKCE	
CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1OCC	2263003	DIDZBZDXWNMKHJ-XLNRJJMWSA-N	412.489	5.319	10	10	HKCE	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3ccco3)cc2)C1	6782071	RDUOUWROTLSDBQ-LJQANCHMSA-N	410.517	5.792	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O	14459936	XWVGXUCYXGCCLN-WOVHNISZSA-N	413.517	5.849	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460342	SKHSBYGHYAVSTG-UEXGIBASSA-N	416.974	5.243	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463379	QKPUEGCSEQYURS-QALTUIAKSA-N	424.610	5.713	10	10	HKCE	
O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465206	RLEPVHWGFAXGLL-GHDARCQNSA-N	408.929	5.075	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466845	ZHIGCUDKFWVZMP-XLNZFTOWSA-N	400.909	6.419	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	14467076	QXCVRUAVKUWNMQ-WVQJBOLRSA-N	401.120	6.832	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549138	VJVBPOWBQPHFRH-ISJBWFOZSA-N	422.484	6.736	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Br)cc1	17090498	CFHTZRBBWFPHLG-CPNJWEJPSA-N	416.294	5.477	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703525	HEFNWMJAQKCSEZ-MVERNJQCSA-N	424.544	5.842	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1	96466238	BSKQUBVHGABUIA-XDHOZWIPSA-N	416.999	5.900	10	10	HKCE	
Cn1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	102960720	MVYKSDWKICSSJV-CAOOACKPSA-N	419.358	5.891	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	111440623	NASZQGNHZHSODS-JUXOCIIHSA-N	423.297	6.271	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	250183934	DUSZQANIBSFKCJ-GEYWLOKFSA-N	408.929	5.075	10	10	HKCE	
CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	1081073767	YSERVZBDVUTNHQ-HMMYKYKNSA-N	414.461	5.477	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084489755	CLPWMIPCVOYREO-UHFFFAOYSA-N	416.550	6.526	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1C1CCCCCC1	1858586735	QRJIXYMGIFCFLW-OQLLNIDSSA-N	414.365	5.512	10	10	HKCE	
CCCCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S	1858587225	XULOWQVTCIVAFZ-KPKJPENVSA-N	420.781	5.200	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccccc1Cl	1858591684	VLGBLRZHPROCLH-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086183	OZYIECQOWQZNQM-KGENOOAVSA-N	419.527	5.377	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665702	HLDIZXJJBBJIHR-HYARGMPZSA-N	402.881	5.492	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(OCC)c1	1865670284	ROWFXUFQOZLKMJ-XMHGGMMESA-N	413.315	5.434	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672328	XAICSCAKCYOMRI-CPNJWEJPSA-N	412.917	5.722	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865680079	WGZJAHXMVRNIQR-MOHJPFBDSA-N	404.469	5.683	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c1	1865862283	PMFMOLMPPGQCOD-UHFFFAOYSA-N	422.095	5.317	10	10	HKCE	
COC(=O)c1c(NC(=O)c2nccc3ccccc23)sc(C)c1-c1ccccc1	1865942252	IREVPJUNRUHARP-UHFFFAOYSA-N	402.475	5.311	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2c(F)cc(F)cc2F)sc(C)c1-c1ccccc1	1866139165	HHTWGEHTYYFUAZ-UHFFFAOYSA-N	419.424	5.109	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2C)cc1	1874127809	KYAMSRCNMVVMSW-SFHVURJKSA-N	402.538	5.473	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccccc1Br	2040465406	MNLSJKUCULYCTK-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3c(N)cccc3Br)C2)CC1	2106206293	SXWXUZBALSCCEJ-CQSZACIVSA-N	424.383	5.013	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H](C)c2cc(Br)cs2)c(Br)c1	2186588572	ACJCREKDOBTZHP-UWVGGRQHSA-N	418.198	5.490	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N([C@@H](C)c3ccccc3)C1=O)cn2C	2323767119	VVVRAYOWEWDSFW-AWEZNQCLSA-N	408.548	5.149	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125629	XFKSDXZNZKHFKE-UHFFFAOYSA-N	412.917	5.722	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	2332141193	MVJWDFWUUHBTQG-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
CC(C)(C)OC(=O)Nc1nc2cc(NCc3c(O)cccc3Cl)ccc2s1	2382185536	ZTBGQMYVGVGSLU-UHFFFAOYSA-N	405.907	5.614	10	10	HKCE	
CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729501	QYDVTZOFYGNQOR-FPOVZHCZSA-N	401.348	5.367	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469452	DOHASHBYCPGDRI-ALTZYDRJSA-N	424.588	6.938	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475586	IRYTUMOSWNZBML-FXSPECFOSA-N	412.533	5.433	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545663	FKOJUUYCKKKXNB-UXWDXCIHSA-N	411.545	6.533	10	10	HKCE	
Cc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	15035127	SOHVCDFUDJRHAC-UYRXBGFRSA-N	424.591	5.132	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21	20707917	HOCBMEPQQOSMRS-ONBPZOJHSA-N	416.524	6.919	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	33031543	PDGVXXRXLXAOQG-DEOSSOPVSA-N	414.549	5.322	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363302	JJSCIXJUHWUNBI-OZXSUGGESA-N	416.521	5.330	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCN(Cc1ccccc1)Cc1ccccc1	390569530	RXDZEDHCTPWDII-RCZVLFRGSA-N	414.593	5.931	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1	1083933259	LZLSKGBRVBPCLW-CXUHLZMHSA-N	409.363	5.573	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(C)cc1	1860403993	QGMAXIYJGGZWIS-UHFFFAOYSA-N	422.506	5.029	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865666265	HDTCQEOWMUARMI-UYRXBGFRSA-N	423.299	5.529	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865678197	YYDWPJHHDYIQOW-ZHZULCJRSA-N	417.852	5.078	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678857	IACWGMKGDYKMJB-KGENOOAVSA-N	406.844	5.322	10	10	HKCE	
CCN(CC)c1ccc(C=C2N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1	2053610962	CHUULZGFMHQZDK-UHFFFAOYSA-N	424.500	5.108	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@@H](C)N)cc2Br)sc1Br	2202287058	NVUDDBNMQQRFFI-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	2231479292	ZEFWHSSYXMAPKW-ZWKOTPCHSA-N	415.419	6.142	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc2ccccc12	2313682052	UGYHWUSEOMMRAA-UHFFFAOYSA-N	414.465	5.637	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2321692965	YYFUNYRMBLVBKM-UHFFFAOYSA-N	405.928	5.239	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N([C@@H](C)[C@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	2323680901	VDAYKMGIJZWUPH-AYMQEEERSA-N	412.580	5.202	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)cc1OCC	2332113818	MTTTWCONEFUIID-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2CC)cc1	2332117555	UCQPGTZDCRBNFR-UHFFFAOYSA-N	412.533	6.605	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@@H](C)C3)cc1	2909568	HRUQZCSOTNXABO-OAHLLOKOSA-N	424.566	6.037	10	10	HKCE	
CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)c(Cl)c3)c2C1	4885056	RSVGXOBOHMDKRB-UHFFFAOYSA-N	402.296	6.745	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1/N=N/c1cc(Cl)c(Cl)cc1Cl	13980782	QTYSLQHSRSXBJR-VHEBQXMUSA-N	414.901	7.184	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476034	JKYMJCJIPZNQRN-YDIMBITNSA-N	408.498	6.086	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479646	ATJMDHQZXPSCTB-GSRZOBFVSA-N	407.510	5.088	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(F)cc2)[C@@H]2CC=C[C@H]32)cc1C	14549815	KCRPJMWSQBBBTP-SGIRGMQISA-N	412.508	6.521	10	10	HKCE	
O=C1S/C(=C\c2c[nH]nc2-c2ccccc2)C(=S)N1Cc1ccc(Cl)cc1	35485072	IWKBTNZHVLRORU-YVLHZVERSA-N	411.939	5.767	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1	59396694	MOEDHYOHNVMAFY-AQTBWJFISA-N	403.956	5.925	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	103883563	BSEBGNJLEYKXKV-WOJGMQOQSA-N	416.304	5.569	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226871339	JKIZRSQMQGLJHI-IPVFLDMMSA-N	407.554	6.489	10	10	HKCE	
C[C@@](CO)(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2)cc1	381324587	PXBOTFWPCSPGGJ-QFIPXVFZSA-N	412.327	5.348	10	10	HKCE	
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	1084332225	SQFFJLAITACXOS-UHFFFAOYSA-N	405.439	5.137	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccc(F)c(F)c4)n3)cc2)cc1	1857850676	XHLGBZWMTOSDDM-UHFFFAOYSA-N	424.541	6.771	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	1858588436	FXOWISFNZHENJL-CMXQDHFUSA-N	417.596	5.120	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2F)cc1	1865654203	JXBQATABKFSYNW-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3cn(C)c4ccccc34)C2=O)cc1	1865670644	KVXOWGRXPNGIMG-JLPGSUDCSA-N	405.501	5.317	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1-c1ccc(Cl)cc1	1866050831	OOGBRWJFHABJJQ-UHFFFAOYSA-N	404.875	5.102	10	10	HKCE	
COc1ccc(NCc2cc(Cl)cc(Br)c2O)c(Br)c1	2237334240	ZUCSWVHDQHBQLD-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C1CCCCC1	2296663347	CPSDYKFFOGXJPM-UHFFFAOYSA-N	414.508	5.389	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	2297469907	SEJDSRYJFJPZIT-UHFFFAOYSA-N	419.554	5.068	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cc(N=Nc2ccc(Cl)cc2Cl)ccc1O	2313533077	VAMGLYDFOCNIPE-UHFFFAOYSA-N	410.307	5.603	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1ccc(F)cc1	2314761903	ZYSRTWKEJUYUKP-UHFFFAOYSA-N	409.482	5.610	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)ccc1F	2321718108	CMYLSNOFYRZMQU-UHFFFAOYSA-N	415.511	5.105	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2)cc1	2332094582	VIZCNCNTMXYGLV-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)cc1	14458574	XJMAPEDFWHMHSD-PPJWLVRDSA-N	408.545	6.691	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14465455	KWXJRSKJJGVMJM-XFAFFCHDSA-N	415.964	7.178	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14466292	RIIZAYKZASOHEE-IXFSTUDKSA-N	406.957	6.183	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467920	UQTUSTXKRBUXFV-AUSJPIAWSA-N	417.336	6.120	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469641	XWCAEOWALJZDIE-PPJWLVRDSA-N	412.489	6.309	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469643	XWCAEOWALJZDIE-ZEVJAHDQSA-N	412.489	6.309	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14479771	WQSXONPDXGTSSX-FBLLAGFSSA-N	422.594	5.433	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2)N3)c1	14553561	CTRTXMMWRPNZDJ-RQTOMXEWSA-N	414.936	6.727	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1O	20690685	ONFSVVBVSMAHMV-LOYIFYEOSA-N	413.517	5.849	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710476	NHHMHFVAOQMJHW-YTZAWJCFSA-N	414.461	5.706	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)c(F)c1	33363462	WDGJWSTYQRZGBB-NSIKDUERSA-N	402.274	5.677	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1	54620732	RMVDMRCGCISBPZ-QHCPKHFHSA-N	413.477	5.104	10	10	HKCE	
CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)SC2)cc1	72413681	ZRVVTWUAAPITSK-QFIPXVFZSA-N	414.534	5.322	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2)c1ccccc1	226661630	FJORPRRPSYHSKI-CZSZKKDXSA-N	414.574	6.550	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	226879517	YWHHCIAGUJEUCH-KCPMXOJXSA-N	411.549	6.011	10	10	HKCE	
CCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1	1859040588	IBARLOZXKHWXEE-UHFFFAOYSA-N	417.509	5.046	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc(C)c1-c1ccc(C)c(C)c1	1865941676	OIZMKSDOWFITQL-UHFFFAOYSA-N	421.562	6.305	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc(C)c1-c1ccccc1	1866089053	RZRFAFRASPQOGY-UHFFFAOYSA-N	419.424	5.781	10	10	HKCE	
CCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccc3ccccc3c2)N=C1C	2296827864	XUQIFJABJLNQPT-UHFFFAOYSA-N	415.449	5.343	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	2296910586	RFOOBEHMOYKJDK-UHFFFAOYSA-N	424.972	6.447	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	2297344654	RVBBYASMMLVPLW-UHFFFAOYSA-N	418.522	5.075	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134067	GOCFXSGSUICUTM-UHFFFAOYSA-N	410.473	5.410	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456602	ITXABGMGUREIJO-VMMOAZFZSA-N	414.574	6.374	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457897	YXXNFSZDPWHJLW-MZLICYQSSA-N	410.583	5.127	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458041	IBUTXXYOYQUXFO-LUXHBGHRSA-N	423.600	7.450	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476282	WVRAUBKLINCTJG-UMTXDNHDSA-N	410.517	6.051	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14552202	SCQKGACTSLXDLD-XFAFFCHDSA-N	419.634	7.584	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(Br)cc1Br	36957027	CIRZJMWTYRDHCE-YGRLFVJLSA-N	411.137	5.886	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(C)CCOCc2ccccc2)cc1Br	384015160	NVUPTPMTVQKOAS-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1C	526253299	RQFZSKZNZOCILU-XMMPIXPASA-N	416.496	5.566	10	10	HKCE	
CN(Cc1ccccc1NCc1c(O)cccc1Br)C(=O)OC(C)(C)C	706810029	ZWGNWBIFAYYHMB-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cc1	1860086571	RZOWZJZWQBDTGK-LICLKQGHSA-N	405.928	5.153	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865679025	PVVPCGWHFMULIF-RVDMUPIBSA-N	424.825	6.080	10	10	HKCE	
CC[C@H](C)Oc1ccccc1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	2294623772	HGCWZMJVBZAOTK-LBPRGKRZSA-N	421.946	6.062	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321687291	BGIBHJXOMWMFHU-UHFFFAOYSA-N	413.564	5.668	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc2ccccc12	2332100239	ZPECZZCHPKIASG-UHFFFAOYSA-N	409.316	6.338	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	2332103907	DJKJPVBSBQHMME-UHFFFAOYSA-N	408.423	6.312	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc(Br)ccc1F	2332129751	JLNIDEOXJYRSJC-UHFFFAOYSA-N	415.306	5.397	10	10	HKCE	
CC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	2332131282	CHTFWVWHGCJEGK-UHFFFAOYSA-N	417.336	5.830	10	10	HKCE	
Nc1ccc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc3nc2c1	5162304	JHAGXIYAKCAUFC-UHFFFAOYSA-N	404.473	5.966	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14458386	PIKZTWIMMQDJBD-SGIRGMQISA-N	422.594	5.386	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462225	GWNSDYSVCXAXDG-HZLPDVBGSA-N	418.581	5.917	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480724	JJPCVRKMLPGXJB-JCYRPKCISA-N	424.544	5.842	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S	59382298	AWFFLLUUKMKJNL-DHDCSXOGSA-N	423.390	5.881	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226695019	XBUXYFZDGWNJAA-YVMWEGPTSA-N	407.510	5.624	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226727301	NASZQGNHZHSODS-ZWCUEREDSA-N	423.297	6.271	10	10	HKCE	
Cc1nn(-c2ccc(Cl)c(C(=O)O)c2)c(C)c1N=Nc1ccc(Cl)c(Cl)c1	1565518089	OYJRLFBGJXCYRX-UHFFFAOYSA-N	423.687	6.563	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCC)c(OC)c1	1865669193	GUETWWZXEADEFR-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)o2)sc(C)c1-c1ccccc1	1866182677	WEFUGFGFFLTKSE-UHFFFAOYSA-N	417.486	6.022	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	2034710873	VIVZQSOHQOAPNR-CQSZACIVSA-N	415.297	5.689	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CCC2)c(C2CC2)c1Br	2079769142	OKSGBLBWWXGENQ-UHFFFAOYSA-N	415.253	5.563	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	2243958178	IAROUYGJGGWQNG-QHCPKHFHSA-N	401.598	5.414	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2318756669	QWGHEWORVZRUTJ-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1OCC	2321609731	DLDJBEDPSZCLHZ-UHFFFAOYSA-N	417.527	5.419	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)cc1OCC	2321635351	AUFYZNGBPJYYTF-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332104227	NMUMOQMAGQBPAE-UHFFFAOYSA-N	414.119	6.496	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1	2332148445	RYKZZHVUENBUTQ-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13645227	KAEXFUMMHDOLAT-DPZBCOQUSA-N	423.560	5.856	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14462615	KVUISGIIODFQSP-BBTUJRGHSA-N	415.318	6.241	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476603	VPSAIRMFWCEZLE-ISJBWFOZSA-N	424.544	5.794	10	10	HKCE	
O=C1/C(=C/C=C\c2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	33424120	ZIBPTSFCJXVTRF-YLTANLAUSA-N	402.884	5.210	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	39861658	MHQVFYKOMYKSQF-NVNXTCNLSA-N	424.330	5.186	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226795491	FAYSCGOUXOOHSD-DPLHUUCSSA-N	402.538	5.538	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	251481474	OVAMUJKZQMGGBN-LKTOMVFGSA-N	408.545	6.313	10	10	HKCE	
O=C(O)/C=C\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	380891190	CJKLCGOPCGNADH-OWBHPGMISA-N	411.423	6.010	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526426181	MEHQRRJSTHZLOE-NRFANRHFSA-N	424.953	5.833	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1c1ccccc1F	1860075414	UFSWFOWKJVATMH-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2F)cc1	1865654456	UXWRPPYZJSGFRE-XSFVSMFZSA-N	406.844	5.322	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)c(F)cc1F	1891711719	DWVFHAFGQVUWEK-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2034732116	NMUZBNMHUUDIKX-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccc(Br)cc2)C1=O	2296412355	IGLLTOLXOCIACE-UHFFFAOYSA-N	416.365	5.801	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	2297500589	AMQIBAIMEVMJDT-UHFFFAOYSA-N	408.888	5.119	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3OCC)SC2=S)cc1	2313540973	GXPKACBGQQBVOA-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
O=C1Nc2cc(C(F)(F)F)ccc2C1=Cc1cn(Cc2ccccc2)c2ccccc12	2313656768	JVZITCFEVGOBGJ-UHFFFAOYSA-N	418.418	6.201	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(C)cc2C)cc1	2313683682	RIBQJUFDIXNQSJ-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccccc3C(C)C)C2=O)ccc1OC	2321665839	BPXNRROEGNHEMN-UHFFFAOYSA-N	413.564	5.623	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC	2321680684	DNXMSWUDKCSCDY-UHFFFAOYSA-N	413.564	5.588	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)cc1OC	2332125439	BPEWVHFDIQBAHU-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125604	UORGUJAUQAVOCB-UHFFFAOYSA-N	410.489	5.203	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c(OC)c1	2332139642	CTSCLDRYGJWXPJ-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)o3)c2C)cc1C	5968400	FZYMUGPFFMSPSW-UHFFFAOYSA-N	421.522	5.637	10	10	HKCE	
O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12	6536624	FGBNBRHEEHLBIU-GAGKHWTPSA-N	408.460	5.303	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(C)C)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642933	LPMYPXDNGFXUAG-QSJFZTKYSA-N	406.573	7.764	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461218	JVMDNRMRSPWTFI-AVYPCKFXSA-N	400.316	5.768	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464132	QJFHQVGDZOHDLE-HOKHCIIBSA-N	418.562	5.355	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479452	QIRXAVBXZRZIBZ-XLNZFTOWSA-N	418.537	5.156	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21	14546907	BHWOZERBODOCAE-DSFVOBFGSA-N	416.348	6.378	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710473	XWZBUDMFAPGAEH-KYTVRQNUSA-N	401.937	7.054	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)cc1[N+](=O)[O-]	34139124	ZGQHSLSRFVUHQG-UYRXBGFRSA-N	416.864	6.028	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=S)N1Cc1ccccc1	35517895	BYHKLXVTPDFCCH-UNOMPAQXSA-N	422.487	5.892	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1	54619275	VJVQVGZZPZQCBI-JOCHJYFZSA-N	416.452	5.458	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1	54619299	FFCIXEONHKPJGB-QFIPXVFZSA-N	413.477	5.022	10	10	HKCE	
Nc1nc(-c2ccccc2)c(N=Nc2ccc(Oc3ccccc3Cl)cc2)s1	255979155	INSMRGPYFRASBZ-UHFFFAOYSA-N	406.898	7.253	10	10	HKCE	
CN(CCCOCc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	384166533	MWHCHQYVVJJDOP-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(Cc3ccncc3)cc2)C1=O	1860085820	LTVBUIGCBNWFFQ-RCCKNPSSSA-N	418.543	5.087	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)c2c1	1860087609	JTGBCWDXOAGFPZ-QGMBQPNBSA-N	412.561	5.304	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865665073	ZTYFJHTYIMXPRM-DEDYPNTBSA-N	423.299	5.837	10	10	HKCE	
CCN1N=C(c2ccccc2)/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O	1865676524	IAZXRKMOBHFZRQ-PGMHBOJBSA-N	416.908	5.569	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H]2CCC[C@@H](C)C2)sc(C)c1-c1ccc(Cl)cc1	1866248389	XSVKOMGPJAIHSK-CJNGLKHVSA-N	419.974	6.318	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1	1873521749	SVXOJQIHBTXSJM-UHFFFAOYSA-N	424.375	6.905	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2318757092	VWMAHHCUPFFCNH-UHFFFAOYSA-N	401.984	6.352	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321585852	FJWOLZUWKXIJOC-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cccs2)cc1	2332127518	FWMUVJWRWGAEPY-UHFFFAOYSA-N	402.519	5.204	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14464192	YASOENKAOSBJHZ-CAKYRVLISA-N	422.572	6.683	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14465477	CBRTXQZWYYPPBN-FBLLAGFSSA-N	417.936	6.624	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470416	JFVQWFJVJNMVOU-QONNDPFASA-N	424.544	6.441	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471825	PEQKRNKVNCPNBB-MZKRTTBSSA-N	417.509	5.484	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14472610	MFAJCBXGTNEBHS-AXHZCLLHSA-N	417.896	6.818	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14545529	HWHAOEJDBXNOLF-LZCXECNNSA-N	424.544	5.842	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549973	DYZKMTHQMWCNJX-WRALFONMSA-N	412.508	6.319	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14550969	PQGZXNAYVHCZBG-UMFSSWHCSA-N	412.489	6.043	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21	20707139	GGZSGQUPAAJAKB-FHAGJXEFSA-N	410.517	5.191	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	20764164	LCFZMGZBQAHALZ-URXFXBBRSA-N	424.903	5.806	10	10	HKCE	
Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-]	33380603	XHXHAWHRTXBHLK-UNOMPAQXSA-N	406.488	5.462	10	10	HKCE	
O=C1c2ccccc2C(=O)C1/C(=C/c1ccc(Oc2ccccc2)cc1)c1ccccn1	199789475	AVLRQJHVXFOPER-HKOYGPOVSA-N	417.464	6.110	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226722120	GWMZFKSVALVGKP-VIICAESSSA-N	412.533	5.433	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226837434	AHTHTPYFMPWELD-ZOCZFRKYSA-N	411.889	5.669	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900574	GFHSEJCZHZSXCA-NYULUDCUSA-N	418.540	6.521	10	10	HKCE	
CC[C@H](NCCc1sccc1Br)c1cc(Br)ccc1O	713010906	UACVJJZDKFXLCY-ZDUSSCGKSA-N	419.182	5.262	10	10	HKCE	
O=[N+]([O-])c1cccc(N=NN(c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1	1084240414	TWWFOPLCPRXNEG-UHFFFAOYSA-N	404.597	5.336	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)cc1OC	1860073528	NVOQCZUXZFBEBM-XSFVSMFZSA-N	413.564	5.452	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860075449	VWMAHHCUPFFCNH-WOJGMQOQSA-N	401.984	6.352	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	1865664369	NOOOJBSCMOXMAP-JYRVWZFOSA-N	417.189	5.477	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676768	OXYWBPSEDVBKLX-MFKUBSTISA-N	414.480	5.515	10	10	HKCE	
CCCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1	1891469934	FDOFQBVECQKCJB-UHFFFAOYSA-N	424.494	5.068	10	10	HKCE	
C[C@H](N)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1931960380	AFZGJIUSUUYCJJ-FQEVSTJZSA-N	407.989	5.498	10	10	HKCE	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C=Cc1ccc(N(C)C)cc1	2053509062	NPCVYDJMTFYRML-UHFFFAOYSA-N	420.534	5.310	10	10	HKCE	
CC(C)c1c(C2(C)CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079731068	RPJPLFLCNJSPLB-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2Br)cc1C	2079993974	ZWAYUUKCELEITF-GOSISDBHSA-N	421.335	5.179	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080022029	DNZCUNBBBMGAHZ-SFHVURJKSA-N	404.938	5.333	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=C(C)c3ccc(Cl)cc3)SC2=S)cc1	2314532286	IVXOHUIDDUDTQQ-UHFFFAOYSA-N	402.928	5.094	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	2321708917	LHTOWWCWVMYRLX-UHFFFAOYSA-N	416.999	5.588	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1OCC	2321733822	ARIJKQXJBNMQJC-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cccc4ccccc34)C2=O)c1	2332099930	SMBUGWUPIKWIBO-UHFFFAOYSA-N	416.524	6.287	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	2332116378	HGHREMHKHJCWPX-UHFFFAOYSA-N	420.406	5.349	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)c1	2332119173	KJWBNCQPCTUTHD-UHFFFAOYSA-N	424.544	5.922	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cccs2)cc1	2332127570	LJJCLXRXWHXJCI-UHFFFAOYSA-N	408.910	5.240	10	10	HKCE	
Cc1ccc(CNc2cc(Br)c(Cl)cc2N)c(O)c1Br	2381135043	LJWFVESCJQBXFP-UHFFFAOYSA-N	420.532	5.073	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NCc4ccccc4)c1c23	6737986	TUZNHLZFMXMMCN-UHFFFAOYSA-N	409.489	5.642	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644294	OSTMZAHEKDUSMO-IMSXRSKXSA-N	401.554	5.205	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@@H]21	20697444	WTDKQOWJOZIHJY-RJIVXFJJSA-N	417.597	5.888	10	10	HKCE	
CC(=O)Oc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	33390961	SLEUQVQMJMMSJD-ZSOIEALJSA-N	419.658	5.009	10	10	HKCE	
C/C(NCCc1c[nH]c2ccccc12)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	205952130	QEQPSUYIBXCBLW-NCELDCMTSA-N	420.516	5.025	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226641423	DPKJBDROVRORMS-JXALWOEJSA-N	410.583	5.125	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1	226846260	BXUUDLPFIBXYFT-JQYIIUTOSA-N	410.517	5.139	10	10	HKCE	
FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	1081254083	FVNRKKPVVBAPDH-FTLABTOESA-N	400.227	6.719	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858588530	KRPRURLQOVMUFW-UKHYEAEISA-N	422.413	5.475	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858589134	OIDYVZPFWYNETI-LKBVRNOZSA-N	422.344	5.551	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1	1860085914	TWCUENWZLMOTPX-WOJGMQOQSA-N	414.508	5.035	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865676270	ZJFNEWNCRMAIDV-JJIBRWJFSA-N	424.500	5.406	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)cc1	1872735635	CTHPPGLDSYWKMW-UHFFFAOYSA-N	418.928	5.982	10	10	HKCE	
Cc1ccc(C(C)(C)C)c(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c1	1872833558	OWTNCPFWMZXALD-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2231471916	MHTPALJFBIAQTF-MOPGFXCFSA-N	417.435	6.388	10	10	HKCE	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1ccc(Oc2ccccc2)cc1	2297450988	NKKCUABRIGFFPH-UHFFFAOYSA-N	423.299	6.592	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O	2314827366	CLXNNHSWPGDFRO-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125481	HISKVJXDVDHAEN-UHFFFAOYSA-N	412.917	5.328	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134623	QDAKTJQDRFUHRJ-UHFFFAOYSA-N	424.671	5.751	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20704513	CEDREAVASYXIJX-STXHMFSFSA-N	411.889	5.215	10	10	HKCE	
CN(C)c1ccc(/C=C2/CCC(C(=S)Nc3ccccc3)=C2N2CCCCC2)cc1	103481111	WCQCVZJBGSMJNF-VZCXRCSSSA-N	417.622	6.109	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2	226798057	RJDWXQDPQRLCDW-QSEAXJEQSA-N	410.517	5.790	10	10	HKCE	
C[C@](CO)(Nc1ccccc1Br)c1ccc(OCc2ccccc2)cc1	311247374	FNUAXPZOCQRCQK-JOCHJYFZSA-N	412.327	5.348	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673510	IMWXKOCLZDHFNK-LYBHJNIJSA-N	411.549	6.272	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cccc3ccccc13)c1ccccn21	1873907330	AFVRYUWLIWCAJA-UHFFFAOYSA-N	416.436	5.120	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2csc(Br)c2Br)cc1	2163096066	GNRKCTIUQBJLDK-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1OC	2321601588	JOPMKELQZZJSRL-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	2321647880	VWUMKTMPDWOASQ-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)ccc1F	2321734288	UKBADHFSCYRCNN-UHFFFAOYSA-N	413.417	5.439	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1	2332117404	CJAFIMPLEQAINW-UHFFFAOYSA-N	404.554	6.064	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13635909	BERUHYLDXGWTBR-CLCZQPDDSA-N	413.517	5.980	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2)c1ccccc1	14456230	JUMCYXBVHXPORR-AWRGLXIESA-N	414.574	6.550	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458075	BDSRJJNHYHJJPJ-IALVYGIMSA-N	415.621	7.788	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462321	UKWZKPUKLYSSHP-PSRHSGHMSA-N	417.597	5.888	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477219	RKWOZBBYYWGFQF-XFAGBWLFSA-N	422.355	7.399	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2C)[C@H]2CC=C[C@H]32)cc1	14478831	YVXFIZXLGVMSSB-FXSPECFOSA-N	424.544	6.473	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21	14545762	LXZOGCBXZHXHNK-WOVHNISZSA-N	416.565	5.784	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	250772703	AXJRHCUUMGSYQE-CGMALJKESA-N	419.566	7.780	10	10	HKCE	
Cc1cc(NCc2cccc(Br)c2O)cc(NC(=O)OC(C)(C)C)c1	687312993	CIMISKAULZDMSB-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	1084119061	HFIBHFVUFYZAHC-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CC(C)N(C(=O)CCC1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859892104	ZKOXFCFSWNMKCY-UHFFFAOYSA-N	403.522	5.564	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1	1860085959	YPAYSYDTYWRINS-RGVLZGJSSA-N	408.548	5.609	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860086128	LRDQZLZGZMNTSU-NTEUORMPSA-N	424.330	5.186	10	10	HKCE	
O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086145	MSEHDADKZWQIKE-XDHOZWIPSA-N	409.557	5.733	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	1865678192	YVOIHPMOQPCYBV-RVDMUPIBSA-N	418.280	5.484	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(=O)O)c2)sc(C)c1-c1ccc(C)c(C)c1	1866046646	WQHAVZRTEZRMJO-UHFFFAOYSA-N	423.490	5.077	10	10	HKCE	
COC(=O)c1c(NC(=O)CCC2CC2)sc(C)c1-c1ccc(Br)cc1	1866206175	XPWJYUHVHKXSNE-UHFFFAOYSA-N	422.344	5.401	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)Cc2ccco2)ccc1CNC1CC1	1915073127	BSHJBHUMZUISGC-UHFFFAOYSA-N	411.343	5.501	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S	2314926195	DAZCHUWZCWGEKV-UHFFFAOYSA-N	409.548	5.232	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(C)cc2)cc1	2332104910	FBEHZTHSMKKVNC-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1F	2332107508	JKWCPVOOVAGCPY-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2CC)cc1	2332117575	WWIPCEIDPCFZMX-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140167	HNSSREGZWOVOAE-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332148561	WGZJAHXMVRNIQR-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
CCOc1ccc(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1	3065956	RPBYCACOYONJOH-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469591	NOIHVSWYEMCGSL-AOJNWGRGSA-N	412.489	6.309	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478348	CYPYGJSDUIIDKA-PXIJXODZSA-N	411.889	5.813	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c1ccc(OCc1ccccc1)c2OCc1ccccc1	19721770	OHVGJUARQUYMQX-UHFFFAOYSA-N	420.464	5.620	10	10	HKCE	
Cc1cccc(-n2c(C)cc(CNC(=O)Nc3ccccc3C(F)(F)F)c2C)c1	20943410	PRTIHOBLBDQIQT-UHFFFAOYSA-N	401.432	5.743	10	10	HKCE	
CC(C)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S	40562407	CEJQOBJDSXSFIZ-UYRXBGFRSA-N	411.596	5.082	10	10	HKCE	
COc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)sc2cc(Cl)ccc12	64756819	QVIYJBNAXFFVTM-UHFFFAOYSA-N	414.958	5.484	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1OC	226887750	LAGGYKHWHODWON-SWYRRKHMSA-N	413.517	6.109	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H](CNCc1cc(Cl)cc(Cl)c1O)c1ccccc1	379928837	AUCDRTFCOYINDR-QGZVFWFLSA-N	411.329	5.055	10	10	HKCE	
COc1ccc(OC)c(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	1860484746	BWNNOBOPVSPRRP-CYYJNZCTSA-N	416.525	5.110	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865674900	DJXLLCRQQFFIPO-KQWNVCNZSA-N	400.909	5.733	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C)c1-c1ccc(Cl)cc1	1865973299	WKZKKNZTDZLYKI-UHFFFAOYSA-N	414.914	5.388	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc3[nH]2)cc1	1872734034	DQPFECXWFGLFHX-UTKZUKDTSA-N	404.558	5.385	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)c1	1872853900	JBTZBQDFMDNIRX-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
CCn1c2ccccc2c2cc(NC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)ccc21	1874174045	DSAZBKUYHWXIGW-UHFFFAOYSA-N	421.544	6.783	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OCC	2332114001	HRXIHTQXRGQZBT-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cccc1OC	2332118534	WSKSWJNSWOXLOT-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1OC	2332124471	FSDKSNKHASJNLU-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Br)ccc1O	2332124840	VTNJTLJFCQPYCD-UHFFFAOYSA-N	407.267	5.114	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F	2332133973	WQUIKKRYPJHHBZ-UHFFFAOYSA-N	408.807	5.476	10	10	HKCE	
CCN(CC)c1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN32)cc1	4920919	ZDJGIXIKNMMOKS-NHCUHLMSSA-N	418.368	5.349	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635508	SUOGDQFSTRBFLS-JCYRPKCISA-N	424.544	5.494	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)CC1	14460629	GYIXTIZJQIPJHO-HFMPRLQTSA-N	406.957	6.039	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14466510	ATHACDRMLWHFKF-BCQCSXDESA-N	415.964	7.178	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477854	WNHQSMTWYGVZGH-WHSLLNHNSA-N	415.364	6.348	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCC1	14548044	SSVOLFUCYIDHME-KCPMXOJXSA-N	410.517	5.608	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	20695606	AULNOFZTNSPIKG-VAWZGJIGSA-N	408.929	5.075	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701650	MTWOPORRYHVGDA-CFZJUORYSA-N	403.309	5.275	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1	20755310	VNKZKGRPJUIEQV-LGVFNWMJSA-N	402.538	5.584	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1	103560397	YPKLLBOFOZWOFZ-FTGFMQHASA-N	409.902	5.647	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856244	APMHICKUVCUITI-SYJLOODJSA-N	415.364	6.805	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N2CCC(Cc3ccccc3)CC2)cc(C(F)(F)F)c1	1860480377	JLLQAAAQEGJVFI-BYYHNAKLSA-N	415.381	6.678	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cccc3ccccc23)cc1	1865664719	WBXFTBBPSHFJNK-XIEYBQDHSA-N	404.469	5.683	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	2159222819	WFFVYFBXYYLNMT-IRTIRVBGSA-N	405.369	5.232	10	10	HKCE	
COc1c(Cl)cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC(C)C	2297349351	GIWMFTKMNFFWKI-UHFFFAOYSA-N	419.308	5.595	10	10	HKCE	
COc1ccc(C=C2N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	2313671243	UTZHVIIZMMDASD-UHFFFAOYSA-N	412.489	5.155	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2321647863	PTABUAURHOBFFL-UHFFFAOYSA-N	403.572	6.543	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	2332099965	XGEZTRLIVVKTRK-UHFFFAOYSA-N	412.508	5.953	10	10	HKCE	
COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@H](C)C3)cc1	2909551	JQSWUCCWGIXUTM-AWEZNQCLSA-N	410.539	5.647	10	10	HKCE	
CC1CCN(c2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)CC1	6738000	FXVRQRVVEKBELN-KRWDZBQOSA-N	415.537	5.512	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	8557327	CLPWMIPCVOYREO-BYYHNAKLSA-N	416.550	6.526	10	10	HKCE	
C[C@H]1CN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)s2)c2ccccc2S1	9645442	HISHOVPJHYRYED-INIZCTEOSA-N	423.607	5.376	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(C)cc2)[C@H]2CC=C[C@H]32)cc1	14458559	DCPYHEVVLKASTG-FXSPECFOSA-N	424.544	6.473	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1Cl	14470603	MVEJBPSSGLTRFL-GLDPYIMESA-N	417.896	6.818	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCCC1	14544926	XJUVQTPHLFFZLF-JJHGTGHCSA-N	411.549	6.011	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14545717	FIJLBDHDYOVMND-SXDGJLEOSA-N	417.593	7.261	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14550880	QIJQZQSOSNPUBK-JQVVWYNYSA-N	403.482	5.047	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1OC1CCCCC1	40646055	ZRLHTCCFDOPSQH-CYYJNZCTSA-N	418.457	6.255	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226712090	GYOJUPZGYMHABF-DXBVXKBHSA-N	422.572	6.567	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1	526174280	PIJUSYJADMGSAU-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
COc1cc(Br)ccc1NCc1cc(Cl)cc(Br)c1O	708196104	FXQNEPMMYPJNGP-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	1860073565	RPCWBXMKBGXSLH-MKMNVTDBSA-N	423.947	5.211	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1	1860076868	UBNWLYFIIAXZFI-XDHOZWIPSA-N	422.531	5.141	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(Cl)cc3)C2=O)c1	1865656998	ZCROEUQSSLITQN-HAHDFKILSA-N	400.909	5.787	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664377	AILUHKLGZHNCMK-RIYZIHGNSA-N	410.098	5.562	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cc1	1865670140	KPEWUXYNPFLGDR-CJLVFECKSA-N	410.945	6.101	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1F	1865673443	FBXPRRSIDDRYGJ-JLHYYAGUSA-N	407.670	5.438	10	10	HKCE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NCc3cc(Cl)cc(Cl)c3O)[C@H]1CC2	2154149940	BECGGDCVIZOZDR-BHYGNILZSA-N	415.361	5.109	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2293381575	UJZDOKLZHIVIGT-GFCCVEGCSA-N	404.354	5.412	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1	2313609986	QMRWLDJLRDJYII-UHFFFAOYSA-N	414.508	5.180	10	10	HKCE	
O=C1SC(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)C(=S)N1Cc1ccccc1	2314489200	QMQUARLGQJZETE-UHFFFAOYSA-N	422.491	5.022	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2cccc(C)c2)C1=O	2314836424	FENWACQMNARCSF-QGZVFWFLSA-N	422.575	5.170	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c1	2332116765	XDWFTOIGQDIYKN-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
O=C1C(=Cc2ccccn2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332128003	GLKBPOWDFQSSRA-UHFFFAOYSA-N	408.288	5.219	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14458233	WERMTTDDNCGGIC-SGIRGMQISA-N	422.594	5.433	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477125	OWHLLPJFGCKNRP-MNVSYLFESA-N	401.337	5.960	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20698225	BDWIUPAFSPORMH-ZKKGZRQESA-N	423.600	7.648	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@H](c3ccc4ccccc4c3)[C@H]2C1	20708377	UEVWVYYFPPGCMU-QXTIUPHPSA-N	403.525	7.245	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1	20712666	VIWNLFWXPPOPLO-KHCICDEESA-N	422.355	7.399	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2\Sc3c(ccc4c3CCCC4)N2CC)SC1=S	27551043	MVFLTUKQKKGAFF-LSQIQBGYSA-N	402.610	5.103	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226788849	TZSFARIJXVFKBL-RNHFSVANSA-N	414.936	6.727	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCOC)Cc2ccccc2)c(Br)c1	384367148	XLWABBDFFCQGHK-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
Cc1cc(NCc2cc(Br)ccc2O)cc(NC(=O)OC(C)(C)C)c1	687313937	WJSQJBUMTMOKDJ-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673406	CBNXGIIPBPMEKT-SFQUDFHCSA-N	401.279	5.170	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)/C=C/c3cccc(Br)c3)cc2)cc1	1866124524	JMTGJLFQRTXBPD-MDWZMJQESA-N	407.311	5.274	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2034781541	FQAJUXWJKMPCRW-KRWDZBQOSA-N	403.408	6.315	10	10	HKCE	
CCCNCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)cc1Br	2129804461	ZOGBNAPDATZQOJ-NRFANRHFSA-N	417.391	5.134	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1	2313507372	IHOCDZPPZYNHDG-UHFFFAOYSA-N	419.527	5.893	10	10	HKCE	
CCOc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1	2313682624	HNNMDYVPQQDOIE-UHFFFAOYSA-N	415.468	5.361	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc1	2332116458	QEVYILQMLSSNBK-UHFFFAOYSA-N	406.526	5.160	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	1824325	TWSAWMFWGIVGAX-CVRKYSSXSA-N	406.359	6.346	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OCC)c1	2312948	BRCJVWKXCBHUPB-OOWUWCJESA-N	413.564	5.446	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc5ccccc45)[C@H]4C=CC[C@H]43)ccc21	13642068	KMZYHZDVUIYMQE-IQANXLHVSA-N	414.552	7.794	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644189	MBTFNLYYTKMPNR-FXSPECFOSA-N	423.560	5.509	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476700	HEBSKTPVURPFOF-DFIYOIEZSA-N	410.517	5.452	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477813	SCRDNEPIELXGBM-VLMPBXDWSA-N	416.348	6.378	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	14551067	QASZDDLPQBJQSF-LGVFNWMJSA-N	417.509	5.293	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1	20755482	RRKVMQVSZQAEEY-RQTOMXEWSA-N	416.565	5.926	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cccc([N+](=O)[O-])c3)c3ccc(F)cc3)c(O)c2n1	54618937	AXXWDXMTYADAMJ-NRFANRHFSA-N	403.413	5.498	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226690851	SAEGMNSIGXCYQW-ZOCZFRKYSA-N	403.353	6.372	10	10	HKCE	
CC(=O)OCCCCOc1ccc(N=Nc2ccc(N=Nc3ccccc3)cc2)cc1	254867839	KZDRESFERCPAGY-UHFFFAOYSA-N	416.481	7.240	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	1083914261	GBGNKCFATPPUPG-JMRXEAOASA-N	400.491	5.176	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1Br	1915390012	LGVOALVYDOTHFQ-INIZCTEOSA-N	415.400	5.998	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(Br)c1	2095877588	NLWRWCDSBFHEMD-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
CN(C)c1ccc([C@H](N)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)cc1	2163144213	LTAFYIJZXUKYCJ-KRWDZBQOSA-N	410.345	5.455	10	10	HKCE	
CC[C@H](NCc1cc(C)c(Br)s1)c1cc(Br)ccc1O	2202286970	NAKHQGOXJDMORM-ZDUSSCGKSA-N	419.182	5.528	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2297462148	GXBWAHSYFKPOPM-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1	2321591162	UBNWLYFIIAXZFI-UHFFFAOYSA-N	422.531	5.141	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1cccc(C(F)(F)F)c1	2321609719	RCAPQHATNGHEEG-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1cc(F)ccc1F	2321758008	SWFOFIHUSNKABI-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
FC(F)(F)c1cc(N=NN2CCN(c3cccc(Cl)c3)CC2)ccc1Cl	2330181677	WRJPDYHYUVZKBO-UHFFFAOYSA-N	403.235	5.833	10	10	HKCE	
CCC1=NN(CC)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	2332131403	OTRNMYHRHWKZJG-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456048	WUKYEEQBHZUYEX-AWRGLXIESA-N	403.547	6.341	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460611	GTFSXTJKNIFVPV-DQVRNGEASA-N	416.974	5.243	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	14545065	HTIPGDOOJFLIFM-ZKOMGTKCSA-N	412.577	7.344	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1O	20690376	IIHOTINARXOJBR-IECBHUPTSA-N	418.537	5.290	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@@H]2CC=C[C@@H]32)CC1	20698907	QRSKBPNEYOQXRJ-WHSBFGAESA-N	423.560	5.054	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710799	FATIZGHRFXPTBC-YPCDYVTLSA-N	424.544	5.842	10	10	HKCE	
Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3O)CC2)c1	34683369	SLRLRPUTLPDOEC-UHFFFAOYSA-N	400.522	5.012	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621437	JPLPCKCOALNQRH-QFIPXVFZSA-N	417.440	5.806	10	10	HKCE	
Cc1ccccc1N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1	67714491	OKUNNZZQYSHVNF-UHFFFAOYSA-N	415.562	5.300	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226832804	WNHQSMTWYGVZGH-XFQAVAEZSA-N	415.364	6.348	10	10	HKCE	
Cc1ccc(N=Nc2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	254481972	XAUOKVREUHBSKG-UHFFFAOYSA-N	407.405	6.410	10	10	HKCE	
Brc1ccc(N=Nc2c(Nc3ccccc3)ccc3ccccc23)cc1	725417972	FTSHRSKWMLDXHO-UHFFFAOYSA-N	402.295	7.761	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S	1084194035	YFCMAZQLVWQCTQ-QUGGNQTFSA-N	403.916	5.682	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667084	DKTRPTPXVDTANJ-XDJHFCHBSA-N	404.897	6.088	10	10	HKCE	
CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	1891417436	PIAOZYFVMMJOLI-UHFFFAOYSA-N	408.932	5.052	10	10	HKCE	
CCCNCc1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100210356	LEVXLUNSKWHIML-FCHUYYIVSA-N	417.391	5.133	10	10	HKCE	
COCCNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Cl	2152196452	JXQHKFLRAGEGNN-UHFFFAOYSA-N	400.872	5.035	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@@H](C)O)cc1Br	2157016108	UZXBPRAEAWGXMP-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=S)N(C2CCCCC2)C1=O	2297356295	QDWDKMGIXULCLN-UHFFFAOYSA-N	402.368	5.536	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	2297468565	KJJLGRBTKUKUMG-UHFFFAOYSA-N	417.321	5.178	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	2313610409	XYSNUQCDWMTXIY-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(Nc3ccccc3)cc2)C1=O	2321672381	DBFBQCZTTBMGOC-UHFFFAOYSA-N	418.543	5.845	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccc(F)cc1	2332099820	HUFKZWQXIDABAJ-UHFFFAOYSA-N	406.460	5.809	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccccc2C)cc1	2332148717	BKQWNXNYIUOORB-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)c1	9324307	UEJZNXCLUWIGAF-UYRXBGFRSA-N	401.849	5.510	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460860	KUKFQILELUVBII-JMERFSKESA-N	401.260	5.198	10	10	HKCE	
COc1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468583	AJYVDNBOQVBNSS-BXTJHSDWSA-N	414.299	5.210	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC	35519685	YFADZGAIGMXWSJ-RGEXLXHISA-N	405.585	5.408	10	10	HKCE	
Oc1c([C@@H](Nc2cccc(C(F)(F)F)c2)c2cccs2)ccc2cccnc12	54619475	KJCBMJXSMSARBY-LJQANCHMSA-N	400.425	6.222	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Cl)c(Cl)c2)c2cccs2)ccc2cccnc12	54621832	XQTPFLUOTVXCHL-LJQANCHMSA-N	401.318	6.510	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1	100148205	PVAQTRICAKHWDZ-XDHOZWIPSA-N	406.825	5.104	10	10	HKCE	
O=C(O)c1cc(-c2cccc(N=Nc3c(O)ccc4ccccc34)c2)nc2ccccc12	252636307	XGTCXTQTJRVCLE-UHFFFAOYSA-N	419.440	6.874	10	10	HKCE	
Cc1ccc(N=Nc2ccc(C)cc2NC(=O)Nc2ccccc2C(F)(F)F)cc1	254874148	JFSSGPQRAXLHRN-UHFFFAOYSA-N	412.415	7.382	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1Nc1nccs1	256017925	OQECKEBKEPOFOQ-UHFFFAOYSA-N	418.442	5.744	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	379457150	OMECZOZBOSAXOH-SFHVURJKSA-N	409.371	5.936	10	10	HKCE	
Cc1cccc(NCc2cc(Cl)cc(Br)c2O)c1Br	708173578	WFDFATLMECWTKO-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	1860075473	WZXMHFFPZSNEJZ-GIDUJCDVSA-N	412.388	6.121	10	10	HKCE	
CC1CCN(c2ccc(/N=N/N3CCN(C/C=C/c4ccccc4)CC3)cc2)CC1	1860486044	LFHPSSKFNJFOSB-ZMPPWDDISA-N	403.574	5.253	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc3ncsc23)sc(C)c1-c1ccccc1	1866043743	WLQZGTFLSBMQHT-UHFFFAOYSA-N	408.504	5.372	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)NC(c3ccccc3)c3ccccc3)c2C)cc1	1874145811	BMBULDAQBBFIHT-UHFFFAOYSA-N	410.517	5.622	10	10	HKCE	
C[C@@H](N(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1)C(C)(C)C	2095953335	FTGUVSHIIVVCLS-QGZVFWFLSA-N	415.419	6.142	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1cccc2ccccc12	2313499047	DMLZVCOCYQFYKN-UHFFFAOYSA-N	411.501	5.840	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321601590	JWCQZVMIEJXCEL-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	2321749001	WFCJLJHRFZCJFH-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1OCC	2332113897	WDLIJKFHHCJXKF-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332140199	KBQUIHACINTZGL-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)c1C	3092267	FNPGPHQDPJGWKN-MFOYZWKCSA-N	423.390	5.881	10	10	HKCE	
C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O	6199772	KIFVNBFHUALSJZ-MDBUFAAASA-N	413.951	5.449	10	10	HKCE	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)C1	6781986	IDRUJYAFCPWVHI-OYRHEFFESA-N	412.577	6.141	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468993	VNCTVFALNFKNOZ-JXQFQVJHSA-N	407.510	5.482	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14478469	KLHIASGVBZGOBM-WRALFONMSA-N	422.594	5.433	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478812	SYPBPWPUKYHNHS-JCYRPKCISA-N	408.545	6.094	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	20680910	NYXCBFABMLMXCF-FUHIMQAGSA-N	411.343	5.415	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701618	LDOXXFZBXDXKGC-PJFSTRORSA-N	403.309	5.227	10	10	HKCE	
CC[C@H](NCc1cc(F)ccc1Br)c1cc(Br)ccc1O	38038988	NSQKKGKRIGRXRH-HNNXBMFYSA-N	417.116	5.297	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364170	VGGOJQIGQUTQGQ-WIOPSUGQSA-N	420.484	5.161	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1	101455157	NTRBESFCLVJJSL-BYYHNAKLSA-N	412.413	5.682	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	226667527	KKKSFOMOQUNHGM-XZFDQLJLSA-N	422.572	7.430	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	1860074971	CAHWQKCPBUEJMW-OQLLNIDSSA-N	420.346	5.355	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12	1865673095	RCTBMIPRLLMGOX-GZTJUZNOSA-N	412.320	6.057	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F	1865676205	WQUIKKRYPJHHBZ-KAMYIIQDSA-N	408.807	5.476	10	10	HKCE	
Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)oc2c1	1866293970	MZZPWTQWWMSXRD-UHFFFAOYSA-N	412.489	5.144	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccccc3-c3ccccc3)c2)c1	1872834248	RZIRIQFFBBVXQV-UHFFFAOYSA-N	422.528	6.251	10	10	HKCE	
Cc1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)sc2ccc(Cl)cc12	1891401022	BCROVIQZDFUFRM-LPHOPBHVSA-N	410.970	5.782	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2(CO)CCC2)cc1Br	1915757951	JPGXGMHEHUEYPM-QGZVFWFLSA-N	417.391	5.041	10	10	HKCE	
CN(c1ccccc1)c1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1	2293311822	IIIBQAANPMPRAX-UHFFFAOYSA-N	416.571	5.856	10	10	HKCE	
Clc1cccc(COc2ccc(Br)cc2/N=N/c2ccccc2)c1	2295355995	CXHPMGAZZIATDZ-GHVJWSGMSA-N	401.691	7.097	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)c1	2297298576	ABAGBODHVLPNEE-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O	2297461935	NEAUYNIXHFABCQ-UHFFFAOYSA-N	414.697	5.896	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	2321683458	WPHZNUGLJIGDTL-UHFFFAOYSA-N	424.591	5.343	10	10	HKCE	
CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1	2332107411	BDCYSGIFMXYJCC-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	14544002	XVCSMHMUIJRWRM-IRYADYCUSA-N	419.524	7.467	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21	14548153	VJBSRACITYZKNI-PKDFQYKZSA-N	413.517	5.930	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21	20695824	KPVDZFXLJBSEEU-SEDUGSJDSA-N	411.126	6.288	10	10	HKCE	
CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1	21891894	FDWLQTMKEKLCEC-RUZDIDTESA-N	414.553	5.101	10	10	HKCE	
CCCNC(=O)c1ccc(-n2c(-c3cccc(OC)c3)cc3c2CCCCC3)cc1	33114803	CMBGNOJGXIKUTF-UHFFFAOYSA-N	402.538	5.562	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12	100276084	MKYPCSMAFNRNOO-FYJGNVAPSA-N	403.865	5.370	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226908460	MSODWZFZLZCKIP-PZPWOCDFSA-N	402.321	6.387	10	10	HKCE	
CCN(C(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1)c1ccc(F)cc1	254517886	GXPIAOZZHWWIDJ-UHFFFAOYSA-N	421.428	5.157	10	10	HKCE	
CC[C@@H](N[C@@H]1CN(Cc2ccccc2)CC1(C)C)c1cc(Br)ccc1O	720738431	YLQHIOLABYLECN-TZIWHRDSSA-N	417.391	5.106	10	10	HKCE	
Nc1ccc(CS(=O)(=O)Cc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1	1857850153	YSTJVQIFBSAKAB-UHFFFAOYSA-N	420.559	5.174	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2	1860074823	QGHQNDXWHVIZHJ-GIDUJCDVSA-N	410.303	5.128	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cc1	1865670222	PCXLKICYOTXZJN-CJLVFECKSA-N	410.945	6.101	10	10	HKCE	
COC(=O)c1c(NC(=O)C(F)(F)c2ccccc2)sc(C)c1-c1ccc(C)cc1	1866155722	ZOPZGLDMIVOAEJ-UHFFFAOYSA-N	415.461	5.549	10	10	HKCE	
C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868167509	KNNGTRKCZQMRSD-BUHFOSPRSA-N	401.849	5.157	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1)Cc1ccccc1	1946823986	IMCHIVHQXLMSMM-UHFFFAOYSA-N	415.625	5.713	10	10	HKCE	
Oc1ccc(NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1	2016685593	IOLABEZNWBUHMG-UHFFFAOYSA-N	411.501	6.162	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079998992	FMYGZDWSDTUYKW-HXUWFJFHSA-N	417.347	5.438	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080002854	DVLQOYAHJJITNW-SFHVURJKSA-N	404.938	5.333	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)cc1Br	2095868250	LHBRMZOZWUPHBU-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
Cc1cc(NCc2cc(Cl)cc(Br)c2O)c(C)cc1Br	2203755181	MVGCDTRORSLNKV-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
Cc1ccc(C)c(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2313503265	OOIRLQGLLZRDLZ-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccccc1Cl	2321591277	NFTPDLIQXHKFBO-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323767155	ZORKEQVDZSIXEC-LLVKDONJSA-N	422.344	5.551	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)[C@@H](C)c2cccs2)c(O)c1Br	2327612794	PBUNBAYXOYQESF-INIZCTEOSA-N	416.384	6.288	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)cc2)SC1=S	2331592562	YDVOEGZVUQFCSI-UHFFFAOYSA-N	417.983	5.776	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1Cl	2332104748	NOWOUNHNMPQRGC-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1	2332139491	MEPBMOFAMCJGHC-UHFFFAOYSA-N	414.480	5.227	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	13107231	PQVOMQNOZOFZOD-QWLAECPXSA-N	404.539	5.385	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457935	IKASJYSGVVVSLA-MRCUYLHHSA-N	414.593	6.455	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459861	CDXWCDJBOSRRDI-YZZKKUAISA-N	418.537	5.099	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14547805	PSPKOIWPHPRLLE-UXWDXCIHSA-N	405.497	7.164	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(O)cc2)[C@H]2CC=C[C@@H]32)cc1C	20679963	OMDUBRZPWRARLR-OTNCWRBYSA-N	410.517	6.088	10	10	HKCE	
CCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S	38732458	NCMZHJXQOZYJKQ-UYRXBGFRSA-N	411.596	5.001	10	10	HKCE	
Cc1cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)ccc1C(C)C	526538487	XBZBAECOKNFTIB-QFIPXVFZSA-N	421.518	5.648	10	10	HKCE	
O=C(CCCc1ccc2c(c1)CCCC2)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859616492	MCQOYPXMKHATBW-UHFFFAOYSA-N	423.512	5.302	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1	1860086090	JLMVXRJHNGLJPY-QGOAFFKASA-N	403.594	6.113	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1	1872859377	OFRMOJCENVIBTI-UHFFFAOYSA-N	422.528	6.251	10	10	HKCE	
COc1ccc(Cl)cc1NCN1C(=O)SC(=Cc2ccc(SC)cc2)C1=O	2297295871	NGHUERILXPKHAX-UHFFFAOYSA-N	420.943	5.176	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccccc1Nc1ccccc1	2313609512	KIWRVBVKKSMRSL-UHFFFAOYSA-N	406.507	5.975	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332114866	ZZBAQOINDRTGQD-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
CCSc1nnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1	5280161	ODDZQWIDAVCXDP-UHFFFAOYSA-N	407.561	5.172	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14456098	KUUYJENNJIXDGO-QFZWGZQFSA-N	401.575	6.895	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	14458404	KWNUQJYKRSAFEU-SGIRGMQISA-N	422.594	5.242	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459209	MSAZERKXGOKMHM-JXQFQVJHSA-N	418.537	5.099	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@H]32)CC1	14475367	QTBBCVAUFWOKTM-PPJWLVRDSA-N	423.560	5.054	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477834	VTXCVCIBVFFPOG-SEPYTNNBSA-N	415.364	6.805	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)NC)cccc4[C@@H]4C=CC[C@H]43)ccc21	20685227	SVKQCPZMMDASIN-DZTNWFRXSA-N	421.544	6.001	10	10	HKCE	
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccccc1	59462790	BPGJLPMLFWQAHT-XMMPIXPASA-N	418.928	5.334	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	251333458	JBDBFJUXOJVUHR-BDSAOOICSA-N	404.337	6.703	10	10	HKCE	
CC[C@@H](NCC[C@@H](C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	379641866	YPPWRWKHLHZZDG-OXQOHEQNSA-N	405.380	5.106	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1	526250482	MUCADOMHHDTSII-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1F	1860075130	JSSVVXGFSAYGIV-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860086513	NAVUNTDZBJGHMJ-MHWRWJLKSA-N	408.375	6.523	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1	1860087422	WGICBYJULORJMC-MHWRWJLKSA-N	422.453	5.070	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1-c1ccc(C)cc1	1865997393	HCNFGWRHZCIHKF-UHFFFAOYSA-N	415.514	6.224	10	10	HKCE	
Cc1ccc2c(C)c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)oc2c1C	1866291136	WDCRCSOBXWFOOV-UHFFFAOYSA-N	412.489	5.144	10	10	HKCE	
COc1ccc(-c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)cc1	1891695114	UVSFLIBEOJJLMA-CPJSRVTESA-N	412.533	5.281	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2c(O)cccc2Br)c1	1925131475	QRTMLRIYTFZHHW-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CCN1CCc2cc([C@H](N)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999536036	FCYKRCSXLKEECM-HSZRJFAPSA-N	423.601	5.286	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079716881	LMKPYVOEZMTMQM-UHFFFAOYSA-N	403.242	5.419	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	2313609452	ISRQLCCSJHUDRS-LBPRGKRZSA-N	401.384	5.464	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3c(F)cccc3Cl)C2=O)c1	2332100078	JERCWKKSWJKPHK-UHFFFAOYSA-N	418.899	5.926	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133255	SRFQIZKIGPADQJ-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
Cc1cc(OCc2ccccc2)ccc1NCc1ccc(C)c(Br)c1O	2352952007	LCJAYCBAQUKHHE-UHFFFAOYSA-N	412.327	5.963	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	14465248	MYEXDFUMCNPYMS-HFMPRLQTSA-N	420.984	6.571	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546101	WDOARMDOWCSJHL-AXHZCLLHSA-N	402.538	5.584	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549192	XAEGNUSYYHQMKQ-QHWMMSMNSA-N	405.497	6.606	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	20698600	VLRSSTLOKYWSPF-RWCIVJTCSA-N	416.524	6.919	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)cc2)[C@@H]2CC=C[C@@H]32)CC1	20699671	WSEDJNUBHVGRLB-TXTKFYIRSA-N	406.957	6.039	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1	58135986	CEIZJVZHYXWUKT-DHLKQENFSA-N	420.940	5.839	10	10	HKCE	
CCCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCCCC2)SC1=S	208276636	FEDNSQFPEJQTIW-NBVRZTHBSA-N	411.596	5.145	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226862842	KIIPKWSZZSWBHR-MCFFVMPBSA-N	415.364	6.302	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	250512669	SCDKSUFNBJZLCA-VNAWGFGGSA-N	424.544	5.575	10	10	HKCE	
COc1cc(Cl)cc(CNCCCN(Cc2ccccc2)Cc2ccccc2)c1O	390600483	WOXDFMVHFVGYAA-UHFFFAOYSA-N	424.972	5.236	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865664633	HYILHALODBTBPA-ZHZULCJRSA-N	407.300	5.824	10	10	HKCE	
CCN(CC)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c(C)c1	1874132769	JBNQYXHCUSVOBW-UHFFFAOYSA-N	405.542	5.510	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079828605	NXANGKNHYOMHDN-UHFFFAOYSA-N	405.258	5.278	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2079992744	IPVZMYRJFYBKFS-FQEVSTJZSA-N	404.938	5.549	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CC)c(Br)c1	2223536931	IGDKDMVRDBZAGE-ROUUACIJSA-N	403.408	6.142	10	10	HKCE	
Cc1cccc(C)c1-n1c(C)cc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)c1C	2294046488	RCCLCIMZOLGWHT-UHFFFAOYSA-N	419.912	5.462	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2c[nH]c3ccc(OC)cc23)SC1=S	2321687289	AOGAIYZPONAJAM-UHFFFAOYSA-N	424.547	5.371	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)cc1	2323725691	STQMXPZROBCMIE-UHFFFAOYSA-N	402.629	5.847	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	2332143150	GJYRISMKDCCYMI-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
O=C(COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1)Nc1ccc(F)cc1	3641615	CYMXYHXOZKAVML-UHFFFAOYSA-N	413.452	5.533	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458117	OJRUYBBPTKVAIB-QHWMMSMNSA-N	414.593	6.310	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552044	PBOZBTCOYAPXQS-JTAQYXEDSA-N	404.579	5.861	10	10	HKCE	
CCOc1cccc(CNc2c(Br)cc(C)cc2Br)c1O	20487415	JIPGUKYASACRSZ-UHFFFAOYSA-N	415.125	5.236	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)cc1	34139080	FQMGQAGSUUEGGB-HKWRFOASSA-N	415.876	5.598	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364505	JVHHTTBVXCQRQA-VWNXMTODSA-N	408.904	5.970	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc(C)n1	299785962	OUDFXIBYFDBHJA-XMMPIXPASA-N	420.578	5.959	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526475045	HARBPXJNALPBLP-XMMPIXPASA-N	415.489	5.587	10	10	HKCE	
COc1ccccc1CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858589293	VCMCWWMUMGTYJL-OQLLNIDSSA-N	410.347	5.403	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)c(Br)c1F	1915364683	MGTDPIABOZHGMF-CQSZACIVSA-N	419.363	5.876	10	10	HKCE	
CC[C@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cc(Br)ccc1O	2098269334	QMQSUJPPZGLGOA-ICSRJNTNSA-N	417.391	5.249	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CC)cc1Br	2223538837	FZNFSMZZGWGSAX-ROUUACIJSA-N	403.408	6.142	10	10	HKCE	
Cc1ccccc1COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1	2293128399	ZPFRTTVJFSTVNJ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S	2293571162	KLRAZRDEHNHIQG-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
Cc1c(Cl)cccc1NCN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S	2313503127	SBSMPPDSCNPUQJ-UHFFFAOYSA-N	416.999	6.043	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323681158	IZDUZMCJANWNPR-UKTARXLSSA-N	411.514	5.731	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1	2323840453	FLAHGGOHDBAWAQ-UHFFFAOYSA-N	401.984	6.039	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455913	SSSKBMYDFSIUKY-ZYKOEDHHSA-N	414.574	5.856	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCCC1	14464198	YASOENKAOSBJHZ-DPPGTGKWSA-N	422.572	6.683	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14477058	NGTWEQRHZHCACC-PDSXEYIOSA-N	413.348	6.056	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549330	DQAPWOYCPJOBJF-VOKYQHOCSA-N	419.568	7.854	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703528	HEFNWMJAQKCSEZ-JQYIIUTOSA-N	424.544	5.842	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCCc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	20720594	LRHUKMGCRLVUCM-KNAJXNNHSA-N	420.556	7.006	10	10	HKCE	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cccc(-c3cccs3)c2n1	21705120	GHONMMXPANUWPH-UHFFFAOYSA-N	401.535	5.268	10	10	HKCE	
CCCCCOC(=O)CCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=S	33411335	OWQGMTOCNOEZPK-VKAVYKQESA-N	407.557	5.046	10	10	HKCE	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1OC	59396794	JZJPCDAEWCDTBU-PDGQHHTCSA-N	419.955	5.543	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(Br)c1	384165472	RMOFNBHCMGYVCJ-PKOBYXMFSA-N	417.391	5.163	10	10	HKCE	
CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)c3c([n+]2C)-c2ccccc2C3)cc1	685944456	OHECSZAPLBELSO-UHFFFAOYSA-N	403.549	5.986	10	10	HKCE	
Oc1cccc(Br)c1CNc1cc(F)c(Br)c(Cl)c1	706829098	JPKKKYBNFGAMLT-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1	1858587489	FRUVYITUGRJONT-MHWRWJLKSA-N	404.354	5.159	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588711	UUTXHYAWKPCTNY-NEUTWTPCSA-N	422.959	5.274	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665907	SGUHYULWRFTINC-CPNJWEJPSA-N	409.316	6.733	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c1	1865668650	JINQDLSKTYXSQB-ULJHMMPZSA-N	414.480	5.445	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(Br)c1	1915777447	WUPIAHCTZPHSQZ-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccccc1	2296397873	DGOZGMKWTQDTSZ-UHFFFAOYSA-N	422.487	5.256	10	10	HKCE	
O=C(C=Cc1ccc(F)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	2313676689	SPBDJEYQVNRCGI-UHFFFAOYSA-N	404.470	5.768	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccc(N2CCCC2)cc1	2321698153	RCHALXHBRHCQBP-UHFFFAOYSA-N	416.955	5.052	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	2323680506	HAZDWCIZBXFCLR-YQFWSFKMSA-N	417.596	5.120	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323854359	PXBPALGVVHYROV-UHFFFAOYSA-N	424.418	6.163	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1	2332122330	RPWGXXZFVACZIL-UHFFFAOYSA-N	412.489	5.237	10	10	HKCE	
O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	2825719	NVCKGLVPQBTWGM-WQRHYEAKSA-N	418.946	5.485	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14472989	QSHKRZILIHYESH-ZDPZECHZSA-N	423.900	5.311	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477832	VTXCVCIBVFFPOG-SAHWJRBASA-N	415.364	6.805	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14478253	WIEMPIBUSZSWIS-YZIHRLCOSA-N	412.489	6.043	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c[nH]c4ccccc24)N3)CC1	14545108	SYXCZHQYQPVZED-HEKZAOSPSA-N	411.549	5.867	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14552037	JZYWYOLTHKZABB-GXJJEBCYSA-N	420.578	5.144	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@H]32)c(C)c1	14552387	VOTPKVLCNUMJGU-PRVBGKCFSA-N	422.572	6.999	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21	20707231	MYIIHJJBQDGRNB-FHAGJXEFSA-N	410.517	5.491	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)C)cccc3[C@@H]3C=CC[C@@H]32)cc1	226705923	NQHIGWZEHINEFD-DPLHUUCSSA-N	403.570	5.498	10	10	HKCE	
C[C@@H](NCc1cc(Br)ccc1O)c1ccc(NC(=O)OC(C)(C)C)cc1	311267817	DMERAOXNKUFIOL-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526421617	LFSLFYNNZQCWLD-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CC1(C)[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@@H]1OCc1ccccc1	708192827	QUPHGXXYCNTAEP-ROUUACIJSA-N	424.766	5.282	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	1084212156	STWMZNPSLDJAPB-MRXNPFEDSA-N	401.532	5.496	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891807	MOFUTLQLAKVLBN-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1	1860086671	ZQXVWKBHWTXXDO-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	1865658587	MMSXLOSTIAAQDW-HKWRFOASSA-N	422.450	6.486	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1Cc1ccccc1	1865679896	LWHIRIMQCHILKU-QNGOZBTKSA-N	417.306	5.279	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@H]4CCCC[C@@H]4C)ccc3[nH]2)cc1	1872734035	DQPFECXWFGLFHX-UWJYYQICSA-N	404.558	5.385	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)c(Br)c1	1915189862	TYGWUJMTXBPRQX-JTSKRJEESA-N	419.407	5.287	10	10	HKCE	
CC(NCc1ccccc1Cl)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313682840	LSGBQVAPANBXOG-UHFFFAOYSA-N	401.897	5.155	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1cccc([N+](=O)[O-])c1	2321706245	CQQIRBMKQRADEV-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2321734044	MHRGVPVAPKALBB-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1	6212457	UMTOVWDUIKAPGE-JCMHNJIXSA-N	417.555	5.980	10	10	HKCE	
O=C1c2ccccc2C(=O)C1(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	16524294	TVFPIQFKJURKGE-UHFFFAOYSA-N	415.703	6.207	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@H]32)cc1	20692291	XJMAPEDFWHMHSD-PLXFJCCSSA-N	408.545	6.691	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	20696292	UAYFAKNCLMIFRJ-XFQAVAEZSA-N	414.343	6.016	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717236	LVJOJBZADYEREM-RQTOMXEWSA-N	410.517	6.164	10	10	HKCE	
CCOCCCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	20857884	XJXLUWMLJJCQTE-INIZCTEOSA-N	419.525	5.114	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	33337928	UJCFBXZLNHWXBT-WCSRMQSCSA-N	410.303	5.128	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3ccccc3)c(O)c2n1	54619496	LEJNPHMHQKKEGY-NRFANRHFSA-N	408.423	6.469	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374994	RYEBGPRMZVCNAI-CIXCFARBSA-N	404.513	6.179	10	10	HKCE	
CC[C@H](Nc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(Br)ccc1O	311305654	MFLNLBHMIHAFEI-KRWDZBQOSA-N	421.335	6.065	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cccc(Cl)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916743	CSOOLRGIKWFLJB-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3cn2)sc(C)c1-c1ccc(C)cc1	1866238545	ISAKXQNCHAIPNR-UHFFFAOYSA-N	416.502	5.619	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cc1Cl	2234175871	GNNBJMIMGPUPGG-QWHCGFSZSA-N	414.293	5.302	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)cc1	2297297028	JGOQWXZINHJDBG-UHFFFAOYSA-N	413.948	7.109	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1cccc2c(O)cccc12	2321647210	ZPYCBWSFVFABAV-UHFFFAOYSA-N	413.523	6.104	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2332148466	STGOVFQLFSSGBZ-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
COc1cc([C@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641462	LFXULZYPBIRMJR-IUKKYPGJSA-N	409.526	5.574	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2Cl)[C@@H]2CC=C[C@H]32)CC1	14466312	GVBGNUHJUORRMF-IXFSTUDKSA-N	406.957	6.039	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1sccc1C)N2	14552376	IFIRIUZPSXXDSH-MIZPHKNDSA-N	400.547	6.444	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)o1	58832961	KHCIHOZSBAXNAW-HMAPJEAMSA-N	415.449	5.532	10	10	HKCE	
CN1/C(=C/C=C2/SC(=S)N(Cc3ccccc3)C2=O)C(C)(C)c2ccccc21	100268024	PQJULCZJVVGKEA-IWGRKNQJSA-N	406.576	5.242	10	10	HKCE	
CC1(C)C(=O)[C@@](C)(/N=N\c2ccccc2)C(=O)O[C@@H]1c1ccc(Br)cc1	100795951	VKTSNZBINKWISR-XYOJOLFLSA-N	415.287	5.185	10	10	HKCE	
CCCCc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccc(Cl)cc2C3=O)cc1	204884661	KMSQDLGNPPRBIU-UHFFFAOYSA-N	421.880	5.538	10	10	HKCE	
CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1ccc(Cl)cc1	1857996842	JNGBMXUXLNATJC-UHFFFAOYSA-N	413.836	5.215	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1	1860074975	CEGQHGFYQXOWQM-WOJGMQOQSA-N	419.955	5.543	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S	1860084462	ZHCFUSOCUFBRHC-VCHYOVAHSA-N	418.971	5.129	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1860086328	YYFUNYRMBLVBKM-LICLKQGHSA-N	405.928	5.239	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1860087461	ZKJORDKZWXXJAS-MHWRWJLKSA-N	422.453	5.070	10	10	HKCE	
CC[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	1874705375	JHWFKNPDZHDVAH-KRWDZBQOSA-N	420.509	5.310	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1Br	1915410055	KQDNUQQGVLVMQP-ZWKOTPCHSA-N	419.407	5.287	10	10	HKCE	
Cc1cccc(O)c1CNc1c(Br)cc(Cl)cc1Br	2104513048	QOBKLLUODSVRCL-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NCC2(CN=[N+]=[N-])CC2)cc1Cl	2180955474	AVQGQHFJZOEYQS-UHFFFAOYSA-N	414.293	5.161	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)c(Br)c1	2186588573	ACJCREKDOBTZHP-VHSXEESVSA-N	418.198	5.490	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@H](C)N)c(Br)c2)sc1Br	2202286655	IPMLWDODMWDULJ-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
CCCCCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21	2314717527	TYEUSCWDXOYXNF-UHFFFAOYSA-N	414.596	5.128	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3ccncc3)sc3c2CCCCC3)cc1	2909661	SGOUJFMHNQKYBR-UHFFFAOYSA-N	421.566	5.675	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639343	RTSHHLUEGYSHRG-WFXMLNOXSA-N	411.343	5.870	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640819	IOSWTUMEAPDMRY-STSQHVNTSA-N	423.509	5.106	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	14458174	PTQJIRXAIOCYDH-WATLYSKOSA-N	404.554	5.205	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462250	TTZKGCXNHHMTIU-SGIRGMQISA-N	403.570	5.954	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1	14469392	XLOSPAOVRBRTLG-UNCTUWKVSA-N	403.525	7.245	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548074	JKTPUXYIGQQANP-BSWQBHCVSA-N	412.533	5.900	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678714	ZVJDJAWVFODXFI-PLXFJCCSSA-N	424.544	6.391	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@H]32)cc1	20697168	DUAIVRFBPJMXFV-LGVFNWMJSA-N	417.597	5.888	10	10	HKCE	
Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c1	39869638	ZRFSAGJZPLGCFZ-YBFXNURJSA-N	410.882	5.696	10	10	HKCE	
COc1ccc(Br)cc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]12	58929373	WFJUBQUSIGATNH-VBHSOAQHSA-N	401.260	5.192	10	10	HKCE	
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cc(Cl)cc(Cl)c1	59396699	NPTVJDFRKLTYHS-RZNTYIFUSA-N	400.739	6.053	10	10	HKCE	
CC(=O)Nc1ccccc1N(C(C)=O)c1cc2nc3ccccc3nc2c2ccccc12	196520747	JKJWPONEIXEUBX-UHFFFAOYSA-N	420.472	5.579	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	226791355	QASZDDLPQBJQSF-PQNGQFLHSA-N	417.509	5.293	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	251481471	OVAMUJKZQMGGBN-KRLMVVBNSA-N	408.545	6.313	10	10	HKCE	
CCOc1c(Cl)cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1Cl	1084609210	BVKIVOBTBWPIEX-UHFFFAOYSA-N	414.292	7.060	10	10	HKCE	
CC[n+]1c(/C=C2/C=Cc3ccccc3N2C)sc2cc(C)c(Br)cc21	1614987025	HQRUJUPTGKESLK-UHFFFAOYSA-N	412.376	5.784	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)c1	1860075474	XCKNGUDLTMBHBJ-LDADJPATSA-N	403.956	5.843	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1	1865678406	KXFUWILMSPFJCP-GZTJUZNOSA-N	403.309	5.584	10	10	HKCE	
O=C1C(=CC2=Cc3cc(Cl)cc(Cl)c3OC2)SC(=S)N1c1cccnc1	2041184495	RGPLKNILINEOCQ-UHFFFAOYSA-N	421.330	5.113	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@@H](CCNCc2cc(Cl)cc(Cl)c2O)CC1	2150374794	NZMORAQPNDOCHM-AWEZNQCLSA-N	417.377	5.216	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1	2173443021	HSWGHEHBJYGUEK-IBGZPJMESA-N	405.369	5.376	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccccc1	2297311174	IRDRQHIUAHOHKD-UHFFFAOYSA-N	416.452	5.219	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccc(C)cc2)cc1	2313671233	TYCRQJKRLIRBPP-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)ccc1F	2321706130	FPXQKRYQXDNDCO-UHFFFAOYSA-N	401.528	5.575	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(OCCC)c(OC)c2)SC1=S	2323850897	VFQBVWUOBDNJJT-QGZVFWFLSA-N	421.628	6.044	10	10	HKCE	
FC(F)(F)c1cc(N=NN2CCC(Cc3ccccc3)CC2)cc(C(F)(F)F)c1	2330147733	JLLQAAAQEGJVFI-UHFFFAOYSA-N	415.381	6.678	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cccc(Br)c1	2332098045	RQPBEMPBMIGAPY-UHFFFAOYSA-N	405.295	5.799	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	2332099919	RJULVBGZZBCKBN-UHFFFAOYSA-N	414.814	5.837	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cccc1OC	2332117379	AGRPZPWMYZAAHJ-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1	4150695	SUHSGBIPOVAKSM-UZLPTANZSA-N	418.566	5.775	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	5710443	QVZBKZDPZHJDGR-CPNJWEJPSA-N	411.548	5.393	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc(Cl)c1OCC	16688371	LGRZTGFHQMGNRR-RQZCQDPDSA-N	419.308	5.597	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755433	KVFLPZJBNIIORJ-DDKMDXNESA-N	424.544	6.013	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1O	36347384	KNRRLBQVRWZMEO-NRFANRHFSA-N	416.443	5.216	10	10	HKCE	
CCC1(CNCc2cc(Cl)cc(Cl)c2O)CCN(C(=O)OC(C)(C)C)CC1	380327097	VQICXQOAUDYSJQ-UHFFFAOYSA-N	417.377	5.216	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526398479	IIRRWYDXJWJSIK-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(CCC3=CCCCC3)C2=O)cc1OCC	1858590809	KBIOQFLYQQDYBX-HMMYKYKNSA-N	417.596	5.576	10	10	HKCE	
C[C@@H](O)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946807816	CAOJXVWREHVMFM-CYBMUJFWSA-N	402.254	5.461	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	2294010597	KOWYIBFYWMUHOQ-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	2296537524	UKBBUDIVYSWCKW-UHFFFAOYSA-N	411.577	5.212	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2C)SC1=S	2297500080	IOISSBINTOPYLK-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)C(=Cc2ccco2)S1	2314952128	UNMXPQYLSSVCFA-IBGZPJMESA-N	415.474	5.443	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1	2321698447	WILFYBOSOATATP-UHFFFAOYSA-N	415.555	6.191	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2C)cc1	2332149019	WUBDCRWZODIVMZ-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccccc2Br)C1=O	83262090	BEAGQFUHGJHQMM-QKIOLIMFSA-N	416.365	5.801	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226794835	QWDFCPDOPMKLRJ-UMFSSWHCSA-N	424.544	5.794	10	10	HKCE	
Oc1c(Br)cccc1CNc1c(Cl)cc(F)cc1Br	232163647	IDLGKVNDYRPSTP-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1	1865675090	OGFYSMZTKIMANI-OVVQPSECSA-N	423.560	5.823	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2079992522	FDROWEMKMZYZGJ-HXUWFJFHSA-N	402.922	5.303	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNCC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	2159215438	WFFVYFBXYYLNMT-XGSMCBPESA-N	405.369	5.232	10	10	HKCE	
Cc1ccc(COc2cccc(C=C3SC(=S)N(c4ccccc4)C3=O)c2)cc1	2293582632	XHCLJNOCEOPFOZ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CN(C)c1ccc(C=C2N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC2=O)cc1	2295129291	ZDAMOALXRUWZQH-UHFFFAOYSA-N	404.554	5.692	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OCC	2332106871	PZXZRXYSMYSJRN-UHFFFAOYSA-N	420.553	5.550	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccccc1Cl	2332140889	SRWQYMHQKAMDBQ-UHFFFAOYSA-N	418.724	5.707	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2	13640452	GHYVEBGSMRUQHU-AXHZCLLHSA-N	406.526	5.187	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14465481	CBJWBGGBWGQYFC-FXSPECFOSA-N	415.964	7.178	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465594	WYHWFVWWWHFFGK-MRUHUIDDSA-N	401.337	6.559	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468408	NNOHXGZAHWTUES-JXQFQVJHSA-N	421.493	5.014	10	10	HKCE	
COc1cc([C@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468991	VNCTVFALNFKNOZ-AXHZCLLHSA-N	407.510	5.482	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549762	FGKOFPHZVQGCBV-AYALFZQESA-N	412.508	6.143	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)ccc1O	20693250	PIBJICWAZQDVHB-IECBHUPTSA-N	418.537	5.244	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c(C)c1	33921428	UVZOFQAAINUORX-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363301	JJSCIXJUHWUNBI-BVAGGSTKSA-N	416.521	5.330	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526174375	RUXYALCFUAGIJD-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
CCOc1cc(N2CCOCC2)c(OCC)cc1NN=NC1CCCCCCC1	1860491932	ZVRJTTZTEOEPFC-UHFFFAOYSA-N	404.555	5.213	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1F	1865664319	LGXJMQUBQZRVRS-ULJHMMPZSA-N	406.460	5.809	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	1865664855	OCBNDINWVWRARE-RGEXLXHISA-N	423.299	5.837	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2c[nH]c3ccccc23)sc(C)c1-c1ccc(C)cc1	1865991816	TXYHPOHISUTIDI-UHFFFAOYSA-N	418.518	5.481	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)n2)sc(C)c1-c1ccc(C)c(C)c1	1865994614	XCNQUHHOGLHMJX-UHFFFAOYSA-N	414.914	5.428	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2sccc2C)sc(C)c1-c1ccc(Cl)cc1	1866001631	WSWJAOPIEKLJMU-UHFFFAOYSA-N	419.955	6.176	10	10	HKCE	
CC(C)(C)OC(=O)N(CCC[C@H](N)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1999539042	WTABJWVAGJJXBX-DEOSSOPVSA-N	423.601	5.504	10	10	HKCE	
O=C1C(=Cc2cc(Cc3ccccc3)ccc2O)SC(=S)N1C1CCCCC1	2313507369	IAZPCHILLMXJPX-UHFFFAOYSA-N	409.576	5.517	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12	2313681956	RKJZVTZCWRQKJX-UHFFFAOYSA-N	422.479	5.055	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	2321576604	FILHAKQWAZBSKD-UHFFFAOYSA-N	407.919	5.674	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2sccc2C)[C@@H]2CC=C[C@H]32)cc1C	14456000	BORYFLQPYDCABQ-ZILOHOTNSA-N	414.574	6.752	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459485	SVKPGLDJNLQZFE-DFIYOIEZSA-N	412.489	5.480	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14467002	YIQWBVSBAAGPPJ-YZZKKUAISA-N	423.343	7.269	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479538	VPVGPFHQLWJVOW-AJGMTHFWSA-N	407.510	5.088	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14480123	FDPYUXQTYZNELD-WRALFONMSA-N	400.566	6.226	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1	31070859	YLAMRDITXRHQNN-UHFFFAOYSA-N	407.489	5.014	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NC2CCCCCC2)cc1	205961610	BYMVOILBCITKRB-HAVVHWLPSA-N	421.516	5.172	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	250102149	AULNOFZTNSPIKG-SRYPRDQNSA-N	408.929	5.075	10	10	HKCE	
CN(C)c1ccc(/N=N/c2ccc(C(=O)O[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2)cc1	1078372781	UAUAWYREUQAAHD-SEYVBNLWSA-N	405.542	6.540	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(C(C)(C)CC(C)(C)C)C1=O)cn2C	1858590458	RJPNKLLONLXZLY-VCHYOVAHSA-N	416.612	5.603	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1OCC	1865666553	LYQUXBXWDQHBCY-LTGZKZEYSA-N	422.525	5.469	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1O	1946822596	POYFUKSHIPMMEK-QFIPXVFZSA-N	417.597	5.201	10	10	HKCE	
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1Cl	2297451568	WOGVLKUQWOTSEH-UHFFFAOYSA-N	423.946	6.538	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1Cl	2321609656	VIHDJRMOKCLQAS-UHFFFAOYSA-N	417.983	6.052	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)c1	2321717955	VWVCNYVTYXXWBE-UHFFFAOYSA-N	417.939	5.313	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)c1	2321734082	WSHMAPOWCBUMAI-UHFFFAOYSA-N	411.495	5.833	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(C(C)(C)C)cc2)cc1	2332099913	QQQGPIMJEDXFIJ-UHFFFAOYSA-N	424.544	6.136	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	2332116498	UWPWVYCTADOPOQ-UHFFFAOYSA-N	420.406	5.349	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332119309	YXWAIWWOLGKMLD-UHFFFAOYSA-N	410.517	5.766	10	10	HKCE	
CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S	5869947	JHJXSVIANBBHLL-XNTDXEJSSA-N	408.342	5.320	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S	6413188	CCUMSOYUZPFEKI-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14458059	LZTAVKUEEFISSX-MQRABVPWSA-N	423.600	7.450	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460424	GRXHDDHWKZGHIV-PSHVLCQKSA-N	408.929	5.075	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@H]32)CC1	14475368	QTBBCVAUFWOKTM-ZEVJAHDQSA-N	423.560	5.054	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478374	CFMRJSUIIXPJTJ-AXHZCLLHSA-N	419.525	5.684	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)c1	14480145	JOOXCKVNWFHVAA-PPJWLVRDSA-N	408.545	6.691	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546990	ZGZJVHJPEBHQBX-VWVPQACVSA-N	417.336	5.196	10	10	HKCE	
COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN23)cc1O	20070742	MNFBIVTZUKIBJQ-JPYJTQIMSA-N	422.868	5.002	10	10	HKCE	
CC1=NNC(=O)/C1=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1	33568627	ZTCJDYGANOWPFG-KQWNVCNZSA-N	404.473	5.095	10	10	HKCE	
Cc1ccsc1/C=C1/SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	35333741	SDMIVYMMOIJHSA-CPNJWEJPSA-N	409.557	6.255	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cc(Cl)cc(Cl)c3)c3ccncc3)c(O)c2n1	54621572	DCVXKTLFLUZIDP-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226678983	SUQCYJHRKGZEFV-YVHKJVDXSA-N	413.359	5.827	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc4ccccc24)N3)CC1	226712247	DXYMKVIGPICXLR-FKIGELJASA-N	422.572	6.538	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	249847539	WIELDVWTCBABHY-UMFSSWHCSA-N	417.597	5.841	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	251344023	KZXPLQTVKCOIRA-HFZMZTSTSA-N	415.364	6.348	10	10	HKCE	
COc1ccc([C@@H](C)Nc2cc(Br)cc(Br)c2)c(O)c1	690331694	BHNGVUYMQFJSFU-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(C45CC6CC(CC(C6)C4)C5)C3=O)c2c1	1858590806	JYQLIWVVPQJKQD-IFRROFPPSA-N	424.591	5.347	10	10	HKCE	
CC[C@H](C)N(C(=O)CCC1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910504	JSQBOYZGBYYDCZ-SFHVURJKSA-N	417.549	5.954	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	1860086616	WARWZFRWRPUHAL-XNTDXEJSSA-N	411.495	5.833	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1cccc(F)c1	1865666251	GBTAWSPJRLKLFH-MOSHPQCFSA-N	406.844	5.015	10	10	HKCE	
COc1cc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c(OC)cc1Cl	1874146672	KLVVGZXGTZRNGK-UHFFFAOYSA-N	414.889	5.026	10	10	HKCE	
O=[N+]([O-])c1ccc2nc(C=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1	2053510548	IEMPIYSRIWACHC-UHFFFAOYSA-N	410.455	5.273	10	10	HKCE	
c1ccc(/N=N/c2cc(-c3ccccc3)ccc2OCc2cccc3ccccc23)cc1	2295356090	JRSKBRFVNVXWDT-NVQSTNCTSA-N	414.508	8.501	10	10	HKCE	
O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C(=O)[C@H]12	2297710354	DCRGAADTEDREEN-IGABQKFOSA-N	421.456	5.061	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)s3)SC2=S)c(C)c1	2313609802	NOSXGCQSFCHXCL-UHFFFAOYSA-N	410.383	5.533	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Oc2ccccc2)cc1	2313682112	VJRZVBWNJVKFQY-UHFFFAOYSA-N	401.441	5.727	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc1OCC	2318683525	GDHBENUEEJBJFN-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1C	2321591128	IKMMYZGMXIZGEF-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1	2321656253	QZOQOTHNELKPPG-UHFFFAOYSA-N	422.344	5.556	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(F)cccc1Cl	2332104120	KSBDCUNMAHAEKD-UHFFFAOYSA-N	411.691	5.978	10	10	HKCE	
COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C)ccc1OCc1ccccc1	2332106638	OTMIYVKSIWTHBW-UHFFFAOYSA-N	412.489	5.076	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F	2332133980	XJNWQWVDIOCPKI-UHFFFAOYSA-N	408.807	5.476	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140249	ONMPRKOIXBSEHF-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	1514521	WNJQVZDFWDTOJU-UHFFFAOYSA-N	406.532	5.586	10	10	HKCE	
O=C(/C=C/c1cccc(Oc2ccccc2)c1)Nc1ccc(/N=N/c2ccccc2)cc1	4421228	GFHUQHJLXFXLKQ-CCFKBNLNSA-N	419.484	7.546	10	10	HKCE	biogenic
Cc1cc(CNC(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccccc1	9228852	JJXWEBUXLUTGBJ-UHFFFAOYSA-N	416.294	5.317	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458155	KMVMOLSYJMJQBN-VMODYCNZSA-N	414.593	6.455	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465051	CPKBACYWVWHNFU-LQWHRVPQSA-N	416.974	5.243	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469419	BPRZLPAZPVOYLE-HFMPRLQTSA-N	422.355	7.399	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544832	OLMWBKNZHDHCIY-JJHGTGHCSA-N	411.549	6.057	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O	33286600	OOTBKODRYZDGRO-PDGQHHTCSA-N	422.893	5.173	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1	33752729	MNADJZHNLORSKN-DODDZMEZSA-N	412.902	5.328	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364405	VTSDQDUDNJIKOD-LADGPHEKSA-N	424.903	5.806	10	10	HKCE	
COc1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621706	SWCGNXWDVHLSKH-OAQYLSRUSA-N	405.885	5.507	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)s1	226654288	IVIDYALFOBLMIH-TYBLODHISA-N	403.547	6.341	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226841257	ITHICTYULOQTJV-SXGZJXTBSA-N	423.365	5.070	10	10	HKCE	
COc1ccc(N=Nc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)cc1	254293675	JGVRCCHXSMEWEO-UHFFFAOYSA-N	413.546	8.259	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cc(Br)ccc1O	389923635	UBGXTDSNNUDCSP-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2c2ccccc2Br)cc1	1084044410	WKORJCXAQGQWFC-UYRXBGFRSA-N	407.267	5.185	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccc(Cl)cc1	1858590707	FRYYXEAJRPOVHB-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1	1865668287	PSCSQARAEXWOFA-NBVRZTHBSA-N	414.908	5.850	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)nc1-c1ccccc1	1892107311	SXMWPNZDQDEESI-UHFFFAOYSA-N	406.532	5.586	10	10	HKCE	
CCN(CC)c1ccc(C=C2C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1	2040415077	XFVOSKATXDUXTO-QGZVFWFLSA-N	400.522	5.902	10	10	HKCE	
CC(C)c1nn(Cc2cccc(Cl)c2O)c(I)c1C(C)C	2079730455	NUWQXGFZRRKGKS-UHFFFAOYSA-N	418.706	5.142	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S	2293547195	BSRVTBNXOZZSHE-LBPRGKRZSA-N	404.354	5.412	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1	2313681444	FCQAQIMTFDYHBJ-UHFFFAOYSA-N	401.869	5.377	10	10	HKCE	
Cc1ccc(CNc2cc(Br)ccc2Cl)c(O)c1Br	2352694858	VMYBIHSBVDHXDF-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CCCCC2	2909639	QFIHCSUHHKEISP-UHFFFAOYSA-N	407.539	5.285	10	10	HKCE	
CC(C)[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729942	PMAFALHVXTYBAT-MJGOQNOKSA-N	407.739	5.314	10	10	HKCE	
CCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c1	5864518	IAYMBNOSXMKZPG-JWGURIENSA-N	414.461	5.320	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(cccc4[N+](=O)[O-])[C@H]4C=CC[C@@H]43)ccc21	13642559	OMJFVEBZXFLYMA-KMEZTADASA-N	409.489	6.549	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(OC(C)C)cccc4[C@H]4C=CC[C@H]43)ccc21	13643075	PXAVDCLFROYZRL-IKCVQBBRSA-N	422.572	7.428	10	10	HKCE	
COc1cc([C@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468995	VNCTVFALNFKNOZ-XLNZFTOWSA-N	407.510	5.482	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471022	CEDREAVASYXIJX-MDOVXXIYSA-N	411.889	5.215	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21)c1ccccc1	14480311	ASOPNUKHULMGAI-PPJWLVRDSA-N	408.545	6.488	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700468	DUSZQANIBSFKCJ-FSBGXSNOSA-N	408.929	5.075	10	10	HKCE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(c2ccccc2)c2ccccc2)cc1	38615670	VGKDWKMIUCSECT-UHFFFAOYSA-N	424.544	5.707	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)c(O)c1	59514413	VJKYELFVKRYICN-WOJGMQOQSA-N	418.971	5.298	10	10	HKCE	
S=C(c1ccccc1)[C@@](Nc1ccccc1)(Sc1ccccc1)c1ccccc1	205166621	MNGPJAURGLHPGM-SANMLTNESA-N	411.595	7.162	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cccc(Br)c1F	708173850	YKMHRLZTWWTVKU-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccccn1	1858588818	DDXCLPHLYXHHPL-KGENOOAVSA-N	418.543	5.062	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(OCC(C)C)cc2)C1=O	1860085617	FEKMVTWUJBANHW-XDHOZWIPSA-N	423.563	5.083	10	10	HKCE	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)ccc1O	1865649798	FBSAOUGCDJBYGG-ZHZULCJRSA-N	418.880	5.279	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2c(N)cccc2Br)C1	2106215680	KOXGBBDGWUUWTC-UZLBHIALSA-N	424.383	5.013	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2231464783	FDCAXMHAPYETKX-SFHVURJKSA-N	417.435	6.390	10	10	HKCE	
COc1ccc(Oc2cccc(C=C3SC(=S)N(Cc4ccco4)C3=O)c2)cc1	2294821357	JLSBGXGQEAYWRA-UHFFFAOYSA-N	423.515	5.482	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl	2313681841	OMMLECTZGGCBJI-UHFFFAOYSA-N	406.288	6.021	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1	2321698303	VSDZEKLYWLQDJC-UHFFFAOYSA-N	418.587	6.092	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccccc3F)C2=O)cc1	2323854584	YERLVGCPLGKNPB-UHFFFAOYSA-N	400.544	5.073	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1	3212934	XOISKPONKCIMAD-KQWNVCNZSA-N	400.453	5.197	10	10	HKCE	
COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C)cc2C)c1	5196339	XQBAQXBLTPHRRO-JWGURIENSA-N	412.489	5.155	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14465156	SMAUWRKQINNDNZ-YZUZCNPQSA-N	414.936	6.097	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3ccc4ccccc4c3)[C@@H]2C1	14475485	VVDNEIQFNVCPRP-PVTPYKNESA-N	423.600	8.016	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccs2)[C@H]2CC=C[C@H]32)cc1C	14548762	KSQULPQNYAEGRT-LJFZDNNRSA-N	400.547	6.444	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2ccc(O)cc2O)c(Br)c1	20487376	MWVMLMMDNHXOPU-SECBINFHSA-N	401.098	5.104	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	20764156	LCFZMGZBQAHALZ-XUZZJYLKSA-N	424.903	5.806	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226897391	QTQCNKDVWXTWFP-NYULUDCUSA-N	419.524	6.996	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1	526559615	GMPPOPLZDKPXBK-JOCHJYFZSA-N	424.422	5.227	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(Cl)c(NCc2cc(Cl)cc(Cl)c2O)c1	703275569	USSJYFHIXJUWDA-UHFFFAOYSA-N	417.720	6.312	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/C(=O)N(Cc2c(F)cccc2Cl)N=C1C	1865667075	CQJXKQDAPIZJGI-SFQUDFHCSA-N	408.860	5.443	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CC)cc1OCC	1865667936	XCQJMRVYCWCAFO-HEHNFIMWSA-N	406.526	5.851	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/C2CC2)sc(C)c1-c1ccc(Br)cc1	1866202314	KWWYNCCKEPVZOG-BJMVGYQFSA-N	420.328	5.177	10	10	HKCE	
NCc1ccc(N(Cc2ccccc2)Cc2cccs2)c(F)c1Br	1915415172	DAIOXGWVFDVIKS-UHFFFAOYSA-N	405.336	5.315	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2034823605	WYNLJKYVTAGHEY-IAGOWNOFSA-N	403.408	6.171	10	10	HKCE	
CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S	2293152586	IJTBEXSYBAPJIB-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc(C)c1-c1ccc(OC)cc1	2294934132	LHXWHYJQCJYBKW-UHFFFAOYSA-N	421.518	5.561	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)SC1=S	2297455008	QRWCXZYJZDLIOH-OAHLLOKOSA-N	417.571	6.503	10	10	HKCE	
O=C1SC(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)C(=S)N1c1ccccc1	2314489652	UKWZORXHOUBEGM-UHFFFAOYSA-N	408.464	5.027	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1	2332115230	ZOPSAQPATCDAMG-UHFFFAOYSA-N	416.477	5.062	10	10	HKCE	
CCOc1ccc([C@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1	1066512	RDJCCPWITAIICC-NRFANRHFSA-N	405.885	5.589	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)C3CCCC3)ccc21	3585790	YQAJNHUASDJLJR-UHFFFAOYSA-N	421.654	6.218	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2)c1ccccc1	13640549	KYYSMRZXLCAHFA-OHUGHZGNSA-N	412.489	5.201	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	14469196	AMHWEWIKCOINIY-IMWIBFENSA-N	420.509	5.042	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20705256	UIFDJJSMJVRYOT-TXTKFYIRSA-N	417.509	5.438	10	10	HKCE	
CN(C)c1ccc(/C=C\c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1	208495989	YHERWWLHQBYQST-ZROIWOOFSA-N	422.359	6.628	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	251022873	PTQJIRXAIOCYDH-TYBLODHISA-N	404.554	5.205	10	10	HKCE	
CC(=O)c1ccc2c(c1)CCN2/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1860480524	LJDLDNCDZSEQQL-OCEACIFDSA-N	401.310	5.988	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(F)c2N)sc(C)c1-c1ccc(C)c(C)c1	1866123241	QQBZIHSRXOGQSS-UHFFFAOYSA-N	412.486	5.101	10	10	HKCE	
[N-]=[N+]=NC[C@@H]1CCCCN(Cc2cccc(Br)c2Br)C1	1912198751	KJIIBACVBCGHDQ-NSHDSACASA-N	402.134	5.124	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915438239	OYJULISRZJYORD-LPHOPBHVSA-N	417.391	5.304	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C=O)c2Br)C(C)(C)C)cc1C	2079958043	OCDUAMOIPPKUIN-GOSISDBHSA-N	407.352	5.539	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2231465956	TYALLZWPGGVLRX-SFHVURJKSA-N	417.435	6.390	10	10	HKCE	
CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccco2)SC1=S	2296701035	BCYGGQXRCODFHI-UHFFFAOYSA-N	423.563	5.524	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cccc(Br)c1	2332098202	ZRXWNBGULULNGB-UHFFFAOYSA-N	411.343	5.648	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3ccc(C(C)C)cc3)C2=O)c1	2332104141	MQQGBXZOVHCRCW-UHFFFAOYSA-N	400.444	5.771	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	2332122319	QIBZMTQRCXKXHF-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332127985	DJFRNAOBJJBAKH-UHFFFAOYSA-N	411.892	5.651	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(OCc3ccccc3)cc2)c(O)c1Br	2352950219	PJAIVXJDZANELW-UHFFFAOYSA-N	412.327	5.679	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C2\C(=O)N(CCC)c3ccccc32)SC1=S	2305398	ZRBAVBMRZWUQNB-AMGRQBIBSA-N	416.612	5.231	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1Cl	3050708	IBPQXGGVGCOZPK-GRSHGNNSSA-N	416.999	6.043	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466615	VIIMYRWSGYHLMU-IUTNIJSXSA-N	416.974	5.243	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14478823	NROZZHJTSDCNTP-FBLLAGFSSA-N	400.566	6.226	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547055	KIIPKWSZZSWBHR-XCGNWRKASA-N	415.364	6.302	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549317	MPSGNYOKGAMJDF-FUCNBRFFSA-N	418.540	6.569	10	10	HKCE	
O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(F)c(Cl)c1	33623354	MSKIEDJGSXVJLO-AUWJEWJLSA-N	417.836	5.904	10	10	HKCE	
CCN(CC)c1ccc(C2=C(O)C(c3ccc(N(CC)CC)cc3O)=C2O)c(O)c1	207555706	GTFXOJPMCLXPIX-UHFFFAOYSA-N	410.514	5.042	10	10	HKCE	
CC1=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@H]2C1(C)C	247981884	XJJYBALJTNSPDP-SDHOMARFSA-N	414.505	5.732	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1	254394089	AFLVJSJCGOFTTI-QODZHVACSA-N	407.642	6.540	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC(OCc3ccccc3)CC2)c(Br)c1	384141203	ZCJLCQNAZPLQGL-QGZVFWFLSA-N	417.391	5.305	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCCC3)C2=O)cc1OC	1858586454	JXXIUVDSNXFEDC-XMHGGMMESA-N	405.585	5.408	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1860086509	MXHGNFMHIJSQJS-VIZOYTHASA-N	412.319	5.113	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865654039	GGHBKZYZQOYZAL-AQTBWJFISA-N	406.844	5.015	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OCC	1865666641	QCVUIKBTYDYUQJ-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(Br)cc2C)c1C	1874141870	UXYXHHUYAGLFNE-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
Oc1ccc(Cl)cc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br	2079822760	MNWZKXGKNARKGG-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
CC[C@@H](NCc1cc(C)c(Br)s1)c1cc(Br)ccc1O	2202286969	NAKHQGOXJDMORM-CYBMUJFWSA-N	419.182	5.528	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2C)SC1=S	2293644686	HSLHGPXIEHPYQM-UHFFFAOYSA-N	403.956	5.449	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1cc(Cl)c(Br)cc1Cl	2295465450	KOAHXYLCKCUESE-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)cc1OC	2318683237	AKIZXJDVCVVPDW-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332134665	WIOMMTSGLHENMT-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CC[C@H](C)C2	920922	RMIDHPFIGNCEPP-INIZCTEOSA-N	421.566	5.531	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468088	DWLCVBIWVQVDOU-BIENJYKASA-N	403.309	5.275	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14478644	QECOUYDGQKJWHD-SGIRGMQISA-N	422.594	5.386	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226747683	VQMXUZOMUIFABG-XFQAVAEZSA-N	414.299	5.210	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	387270158	MTKATISSTYPXHE-KRWDZBQOSA-N	403.408	6.142	10	10	HKCE	
CC1CCN(Cc2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)CC1	1857850674	XDNWJIDVYBAPCP-UHFFFAOYSA-N	423.651	6.058	10	10	HKCE	
CC(C)(C)c1ccc(OCCOc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1	1858692286	FJLSXZZRLCWHEL-UHFFFAOYSA-N	421.497	5.030	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S	1860073443	GBQAYUGZYLUXHQ-VIZOYTHASA-N	419.984	5.380	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860085828	MBGIFJQGAGQUCC-RIYZIHGNSA-N	410.303	5.097	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085888	RKZCNMILCQSXJC-XSFVSMFZSA-N	406.507	5.217	10	10	HKCE	
CC[C@H](C)c1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872741495	RXDUQJLWYBAHNT-KRWDZBQOSA-N	412.537	6.062	10	10	HKCE	
Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	1892129393	MJCLZHJSPCNAPG-UHFFFAOYSA-N	422.531	5.712	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080037729	NXLDPPCSZYFDRA-OAHLLOKOSA-N	418.843	5.300	10	10	HKCE	
CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	2297469078	QPQVTTNPGTZMQM-UHFFFAOYSA-N	419.554	5.247	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1Cl	2313609513	KKNBRPKPILGDHZ-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321602942	YBVOAKURHABPJH-UHFFFAOYSA-N	401.984	6.352	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1ccc(Cl)cc1	2321721577	NVBOXAIKGJHWOO-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OCC	2323767131	XAGOEUOVWZZDJE-HNNXBMFYSA-N	413.564	5.446	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332129636	WZQSZRPWNNLYOR-UHFFFAOYSA-N	421.152	5.620	10	10	HKCE	
C[C@H](NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)c1ccccc1	6782010	MSSMVLNULHDOPY-NRFANRHFSA-N	420.556	6.514	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13636105	TWFRYMQQGHERIB-CLCZQPDDSA-N	403.566	6.871	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC)ccc(OC)c4[C@H]4C=CC[C@@H]43)ccc21	13642479	WVQXAJQCVCCDQN-OSOCVKALSA-N	424.544	6.658	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464644	GWMZFKSVALVGKP-SYVJQLTCSA-N	412.533	5.433	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2	14546396	YJDXGKPRCHBVTD-OHUGHZGNSA-N	404.554	5.784	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC(C)C	16694273	BKJAJBZKHIYEJG-MFOYZWKCSA-N	419.308	5.595	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc1	20696963	NVUBKPFYXZLUSG-ZOCZFRKYSA-N	421.799	7.320	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1	54619830	WTVWVUZIFIXHKG-QFIPXVFZSA-N	413.477	5.022	10	10	HKCE	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1c2ccccc2nc2ccccc12	106384819	RNJLDHSGNKNFFV-RCCKNPSSSA-N	406.489	5.723	10	10	HKCE	
Cc1cc(Nc2ccc(N=Nc3ccccc3)cc2)n2c(nc3ccccc32)c1C#N	254466063	AIZJZLRIGSEIMD-UHFFFAOYSA-N	402.461	6.827	10	10	HKCE	
C[C@@H](Nc1cc(I)ccc1Cl)c1ccc(N(C)C)cc1	380316204	XSKKETKCIQKCFO-LLVKDONJSA-N	400.691	5.184	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C12CCCC2	401670761	QSPUWBMNYWPKHN-INIZCTEOSA-N	415.361	5.111	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526233708	LVKGFSZATGDRPY-QHCPKHFHSA-N	401.462	5.026	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(N(C)C)cc2)cc1	526459306	ZPIHJPILYJYFSZ-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12	1865659013	YHJLZFAMZSKPIX-XSFVSMFZSA-N	423.343	6.729	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675017	KPDOEAUOQJEGCS-KPKJPENVSA-N	423.271	5.039	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(F)c(F)c2O)sc(C)c1-c1ccc(C)cc1	1866176708	LMIVOEPEUVAZJU-UHFFFAOYSA-N	417.433	5.055	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(-c2cc3ccccc3o2)on1	1891737885	HKHOJKNFAAJJST-PXNSSMCTSA-N	413.477	5.007	10	10	HKCE	
CC(C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	1915405930	CFHMCONZGAHZSX-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2034701231	MAMMUHVHVQETBD-KRWDZBQOSA-N	401.392	6.056	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(C=O)c2Br)C2(C)CC2)cc1C	2079971569	IOYQPGIXMFCLHG-SFHVURJKSA-N	405.336	5.293	10	10	HKCE	
CC[C@H](N[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)c1cc(Br)ccc1O	2100144653	CDBHKPMBXBLYBN-IRFCIJBXSA-N	418.375	5.579	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1	2217381771	XHNBFEIMWJPZJM-XMMPIXPASA-N	415.625	5.804	10	10	HKCE	
CC(C)(C)OC(=O)N1C[C@](C)(CNCc2cc(Cl)cc(Cl)c2O)CC1(C)C	2236744071	HLGNXOBJGGZDBT-FQEVSTJZSA-N	417.377	5.214	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCCOc2ccccc2Cl)SC1=S	2297335365	VZRIUSHEZIKBEY-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
Cc1cc(C=C2NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12	2297361318	WBSFROGDNOTYDQ-UHFFFAOYSA-N	407.473	5.345	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	2321609663	ZUPWVXBOVRWIOC-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1ccc(F)cc1	2326823522	SHBXUTJTWCIJLY-UHFFFAOYSA-N	423.509	6.000	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641067	LTTOSZJGXVJENP-JMERFSKESA-N	406.309	5.846	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13645282	LUTGDELHSMOMHS-PPJWLVRDSA-N	409.533	5.831	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472353	VYUOFZBAMLZSFA-HFMPRLQTSA-N	419.525	5.684	10	10	HKCE	
CC1=NN2C(=N)/C(=C\c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1	20238660	HKTAJJFZQMEYGV-SAIIIAOYSA-N	418.503	5.223	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)c(Br)c1	27520800	XPIWUPFVJAKCBY-HKWRFOASSA-N	417.306	5.592	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc([N+](=O)[O-])c1	39372921	YMAYHUSSGGPPNN-LCLWPZTBSA-N	413.477	5.000	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(F)(F)F)c3ccccc3)c(O)c2n1	54619572	ZXIMRFPXFGXBEU-NRFANRHFSA-N	408.423	6.469	10	10	HKCE	
Cc1c(Cl)cccc1NCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	59382008	SBSMPPDSCNPUQJ-YBFXNURJSA-N	416.999	6.043	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c[nH]c2ccccc12	221968169	UFCPRBFAIIUOAY-MKMNVTDBSA-N	404.684	5.934	10	10	HKCE	
Cc1ccc([C@H](C)Nc2c(Br)cc(Cl)cc2Br)c(O)c1	379594530	GZXKDMRIZJPNMZ-VIFPVBQESA-N	419.544	6.052	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)OC(C)(C)C)cc1	383240647	FMXXXJONIGRYLY-LBPRGKRZSA-N	411.329	5.897	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2cc(NCc3ccc(Br)cc3O)ccc21	691390709	IMXPNVCIZKWLPC-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1C1CCCCCCCCCCC1	1858587518	IJNMSVGRFKTTMS-CAPFRKAQSA-N	405.604	6.700	10	10	HKCE	
CC[C@H](C)N(C(=O)CC1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916931	JCTHLOLHBQWONI-KRWDZBQOSA-N	403.522	5.564	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(CN(CC)CC)cc3)SC2=S)cc1	1860084848	QUWNBOUTJXQHQP-RCCKNPSSSA-N	410.608	5.497	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860086240	SDURJEQTGOCRKO-LICLKQGHSA-N	424.374	6.186	10	10	HKCE	
C[C@H](O)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	2077087208	FCTYBMGTYOMEDT-HRAATJIYSA-N	404.348	5.078	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079970179	OSHFSQQGIASUQM-HXUWFJFHSA-N	404.938	5.549	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080037728	NXLDPPCSZYFDRA-HNNXBMFYSA-N	418.843	5.300	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2095888548	INYOWFNMYFMUAN-UHFFFAOYSA-N	414.343	5.886	10	10	HKCE	
Cc1ccc(COc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1	2297314587	SYTYUNODIGLLGR-UHFFFAOYSA-N	409.898	5.004	10	10	HKCE	
CCc1ccc(N2N=C(C)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	2297504553	LCIXJJUGHZYCTR-UHFFFAOYSA-N	400.434	5.013	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2cc(Cl)ccc2Cl)C1=O	2321647090	MMVNTPHFLBAJQJ-UHFFFAOYSA-N	420.346	5.355	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccc(N(CC)Cc3ccccc3)cc2)C1=O	2332140020	STSHLILVSZGGTO-UHFFFAOYSA-N	415.459	5.267	10	10	HKCE	
CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccccc3OC(C)C)ccc2n1	4757358	VKSDHKNPPHGPQF-NTCAYCPXSA-N	417.553	5.829	10	10	HKCE	
CCN1/C(=C/c2sc3cc(NC(C)=O)ccc3[n+]2CC)C=Cc2cc(C)ccc21	5657314	LKYBBLNVVABHAR-UHFFFAOYSA-O	404.559	5.370	10	10	HKCE	
Cc1ccc(SCCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	7597141	GOIVAQADMSAMCP-UHFFFAOYSA-N	415.514	5.281	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2)c1ccccc1	13638263	YDJAEHDIBUHYHV-ZEVJAHDQSA-N	410.517	5.885	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	14467413	ZYAHZYHVASKGLP-XQJJYNOISA-N	401.120	6.832	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14472124	GEVVXZFCRZJYQI-UMFSSWHCSA-N	412.489	6.043	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475309	DJIXIIFMOUAVMJ-SLSDLSHTSA-N	418.562	5.355	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549157	KCTFBQCMQXJCDK-BCQCSXDESA-N	407.513	6.837	10	10	HKCE	
Cc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1	34682920	LIAOPRNFDDTWDI-UHFFFAOYSA-N	407.602	5.105	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1NC1CCCC1	40646000	PEOGXCHABNHFQT-CYYJNZCTSA-N	403.446	5.898	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226725309	QJFHQVGDZOHDLE-JLRUASKGSA-N	418.562	5.355	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226889709	PBHZTCFXLNLYRS-SWYRRKHMSA-N	401.506	5.787	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1N=Nc1cccc(Cl)c1	575179013	YPKLLBOFOZWOFZ-SFHVURJKSA-N	409.902	5.647	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNCc1ccc(OCc2ccccc2)cc1	715811374	DOMNDNZGHKMLMW-UHFFFAOYSA-N	416.290	5.163	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588712	UUTXHYAWKPCTNY-PRDLHCJTSA-N	422.959	5.274	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865674168	QMSFALHFLOMGIB-HZHRSRAPSA-N	416.908	5.721	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	2296968830	GLSJVLWAAXTOEK-UHFFFAOYSA-N	419.554	5.130	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CNc3cccc(C)c3)C2=O)cc1	2297328485	DKILCMCDNFBODA-UHFFFAOYSA-N	411.596	5.112	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)ccc1OC	2323732977	OILJYFPKNYFXED-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1OCC	2332114141	XAUQGGFZOAMAKJ-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	1800232	PNNXWVQLNJZQRV-HLXADAOKSA-N	405.466	6.058	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458018	IQDVFUKWESKMSB-QEMZJVQQSA-N	409.573	7.060	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458389	PIKZTWIMMQDJBD-HWBMXIPRSA-N	422.594	5.386	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477132	LMEUXLTWQQZTTF-LLJLJFOGSA-N	416.392	7.779	10	10	HKCE	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1	83308027	TTYXTXIWLVPUHB-CPNJWEJPSA-N	415.905	5.784	10	10	HKCE	
CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)cc2)Cc2ccccc2)cc1	95935041	MHRWRWFPVHTEAJ-UHFFFAOYSA-N	420.984	6.071	10	10	HKCE	
C[C@@H](COc1ccccc1)Cn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21	102467953	QDAQXLCPSKNFBO-SVZNOHIVSA-N	422.575	5.187	10	10	HKCE	
CCN(CC)c1ccc(NC(=S)N(c2ccccc2)c2ccc(N)cc2)c(C)c1	242735193	DDUMNMJPCQQGHS-UHFFFAOYSA-N	404.583	5.959	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	309530855	CEYVASKPAIRXBP-IBGZPJMESA-N	423.398	6.326	10	10	HKCE	
CC(C)n1nc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc2c1=O	1086849295	LRLPZRGCNAOARC-UHFFFAOYSA-N	411.465	5.645	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1F	1858592418	XRAOJZNDOZMCIJ-CXUHLZMHSA-N	411.445	5.554	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C=O)c2Br)C2(C)CC2)cc1C	2079999940	MVBSBKXOCPCMJD-LJQANCHMSA-N	417.347	5.438	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080023648	CQVFLIAWKFIIMK-GOSISDBHSA-N	404.938	5.333	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2Cl)C(C)(C)C)cc1C	2080041418	CANLGQOSGWARRJ-CQSZACIVSA-N	404.816	5.211	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2095841270	HWUKXYCTVGGMSN-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2297624349	XCHCDIIKUAKUPL-UHFFFAOYSA-N	410.098	5.562	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1	2313609957	PHISQDCLSGTOQL-UHFFFAOYSA-N	414.508	5.180	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125634	XNHQCSTXEMENGI-UHFFFAOYSA-N	406.526	5.291	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O	2332134190	VMQBJZSNNTVRKE-UHFFFAOYSA-N	424.500	5.192	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332139909	HKDKOWGEWFAISN-UHFFFAOYSA-N	424.548	5.694	10	10	HKCE	
CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC(C)(C)C)c2)c1C	2929030	PSZMLXHIFZXJAL-UHFFFAOYSA-N	404.510	5.158	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475488	VVDNEIQFNVCPRP-VWYPKUQYSA-N	423.600	8.016	10	10	HKCE	
CCCCOC(=O)c1sc2nc(Cc3cccs3)c3c(c2c1N)CCCC3	40568407	CBGDROWVGAGCKJ-UHFFFAOYSA-N	400.569	5.367	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226738830	PJVYMZRAJVFCTI-CERRFVOPSA-N	411.545	6.879	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226791767	GOJSFPQXBUAQOR-OTNCWRBYSA-N	416.546	5.338	10	10	HKCE	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	254592673	XWTXWVYVHCSUMN-UHFFFAOYSA-N	422.400	5.964	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	1860085066	JSIFEDLATLPQAU-KGENOOAVSA-N	421.543	5.740	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1cc(Cl)ccc1Cl	1860085166	SFHIZPVRGNMQHA-LZYBPNLTSA-N	424.330	5.170	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cccc(Br)c1	1865656787	RSQFVXHTTFEIGV-HMMYKYKNSA-N	419.322	6.189	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668887	VJMKDOKTODNUIS-XIEYBQDHSA-N	410.517	6.160	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCC)c(OC)c1	1865669059	DRYSGZUFZBFMDC-KGENOOAVSA-N	406.526	5.293	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671044	HISKVJXDVDHAEN-XDHOZWIPSA-N	412.917	5.328	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(C)cc1	1866029367	YYYSQUCJRAJARR-UHFFFAOYSA-N	407.535	6.194	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cc(C)ccc4C)ccc3[nH]2)cc1	1872734202	IDMODIGGVPOOJQ-UHFFFAOYSA-N	412.537	5.945	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br	1911968724	KGLDMRXVRDNZJT-HNNXBMFYSA-N	400.316	5.352	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H](c1c(O)c(Cl)cc(Cl)c1Cl)C(C)(C)C(=O)O	1951860139	NMGWKTZXUUVAFX-LBPRGKRZSA-N	412.697	5.029	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S	2313657236	BFTABQWLRZURAV-UHFFFAOYSA-N	407.919	5.279	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321609661	YMXJDZPIESTHKX-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
O=C(Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccco1	1452456	PXWILYHBVZKYNY-QGOAFFKASA-N	413.520	5.033	10	10	HKCE	
O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	3071286	YONLWPPEUURKQR-GDLZYMKVSA-N	417.508	6.147	10	10	HKCE	
CCn1c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1ccco1	8620653	RMJDAIMVHDDQIO-UHFFFAOYSA-N	424.501	5.080	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2)c1ccccc1	13640551	KYYSMRZXLCAHFA-UMEGOILYSA-N	412.489	5.201	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)s1	14456461	ICZVIBBCXFCREY-NPPFBWRTSA-N	414.596	5.058	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20700708	GAZPJJGDQIZVQR-IPVFLDMMSA-N	415.964	7.178	10	10	HKCE	
COc1ccc(-c2cnc(SCC(=O)c3ccccc3F)n2Cc2ccco2)cc1	33635104	NHOHCWPOJMHSIW-UHFFFAOYSA-N	422.481	5.314	10	10	HKCE	
CCN(CC)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1	34355484	OURJBENWTSUHRH-FOCLMDBBSA-N	418.584	8.173	10	10	HKCE	
COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1	53363628	SMQZVYPOGFLROL-HYBUGGRVSA-N	422.912	5.285	10	10	HKCE	
COc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1Cl	54621695	GFETWXCESFJTOK-NRFANRHFSA-N	408.860	5.943	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)cc1	59396491	CLZHNAXVCGHTLB-ZROIWOOFSA-N	410.745	5.508	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226884925	OHGXMLZVAOGPCS-BUEREQSYSA-N	412.533	6.414	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1	526559773	HOXJRDMBVYODJR-FQEVSTJZSA-N	412.461	5.150	10	10	HKCE	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2ccc(Br)cc2O)c1	691405671	FPZJGYJQCMOTPA-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1	1860084942	AHKJQDLWSLKUHS-CXUHLZMHSA-N	420.899	5.053	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)cc1OCC	1865666764	REFYHIKVWDXSAV-CJLVFECKSA-N	414.505	5.833	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)c1	1865668624	IKVQMVSIBRTQMU-SFQUDFHCSA-N	403.309	5.978	10	10	HKCE	
Cc1cccc(O)c1Cn1nc(C2CCC2)c(C(C)(C)C)c1I	2079798422	CUPYTCNIOLXGRC-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079998021	LBEPKZJKPBWGII-SFHVURJKSA-N	408.926	5.186	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CC[C@@H]1CCCN2Cc1ccccc1	2145604760	ORRIUQUOGMDWDE-AVRDEDQJSA-N	405.369	5.233	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1	2296660188	NPCLQZCJNCICSH-UHFFFAOYSA-N	411.935	6.001	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(F)cc3F)SC2=S)cc1	2318757380	ZKRCDQBZKYGYLO-UHFFFAOYSA-N	404.507	5.217	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)ccc1F	2321702557	VZVKUBPDHXINOS-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)cc1F	2321755893	QORUISXBWATZCI-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
Cc1ccc(CN(C)c2cc(Br)ccc2F)c(O)c1Br	2381137978	RNIYVUBVIGFNLH-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)s1	14456458	ICZVIBBCXFCREY-SVMVAKDDSA-N	414.596	5.058	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464638	GWMZFKSVALVGKP-JJTGBXKASA-N	412.533	5.433	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14467317	QHHCUOGGJYFBNH-LYOVBCGYSA-N	411.126	6.288	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545132	PWHCFVPOEBEQNR-HEKZAOSPSA-N	413.565	6.257	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	20756310	ZURNVRSBSSXNDE-ZRCGQRJVSA-N	411.461	5.674	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53364470	LWVZWNZGPFDMKR-RDGATRHJSA-N	404.485	5.461	10	10	HKCE	
CC[C@H](Nc1cc(F)c(Br)cc1C)c1cc(Br)ccc1O	224275681	QJERNVRYCWESRH-AWEZNQCLSA-N	417.116	5.928	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226899182	DJYRCIUWDUDGAU-BUEREQSYSA-N	412.533	6.357	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	251312031	DVLNOWKWCUCNQP-JDVZNGIOSA-N	415.364	6.348	10	10	HKCE	
CN(CC[n+]1ccccc1)c1ccc(N=Nc2c(Cl)cc(Cl)cc2Cl)cc1	1088729537	IGOTVRRVGIDVGU-UHFFFAOYSA-N	420.751	6.486	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)c1	1858587603	OVEJPJUYHBHLCA-HEHNFIMWSA-N	417.640	6.570	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2cn(C)c3ccc(OC)cc23)SC1=S	1858590975	RMFIKHYYTIDYPJ-DORSJAEJSA-N	416.612	5.747	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc([C@@H](C)N)cc1Br	1915420490	INYUKSORSWYWPL-CVEARBPZSA-N	415.400	6.298	10	10	HKCE	
C[C@@H]1[C@@H](Nc2c(N)cccc2Br)CC(C)(C)CN1Cc1ccccc1	1916215938	CZAIMJXGQNULBX-BEFAXECRSA-N	402.380	5.132	10	10	HKCE	
COc1ccc(Br)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O	2053525526	FKMGNNYORZNEIJ-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1	2321664010	JOGBMERNJRVLQC-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1C1CCCCCC1	2323740105	UEQSUGBBUOGHPL-UHFFFAOYSA-N	414.365	5.512	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(=O)OC)cc1	2332134804	MAJCJUDWRCQTJP-UHFFFAOYSA-N	417.292	5.366	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458553	FGCZVXBUIDVTPJ-HWBMXIPRSA-N	400.566	6.226	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@H]2CC=C[C@H]32)cc1C	14478848	CMAZSZJPDWIKJC-JCYRPKCISA-N	408.545	6.691	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)NC(C)C)cccc2[C@H]2C=CC[C@H]21	14544309	XJSNSIUDXATBAQ-NYUJMHJJSA-N	412.533	5.813	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546160	YYJOCGZEKWCIPH-NSSDIGLXSA-N	424.544	6.013	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21)N1CCCCC1	20705234	BXZAJAAGQWUZIN-XQBPLPMBSA-N	403.482	5.047	10	10	HKCE	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(c2ccccc2)C1=O	33921921	UMKJOXFGQIDJRG-ATVHPVEESA-N	411.939	5.240	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1	102792209	RHBXPENUBWQRDP-XDHOZWIPSA-N	411.935	6.314	10	10	HKCE	
N=C1/C(=C\c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC=CN12	104619876	VAWTUJWOEKDPMO-KBQFJHCTSA-N	403.488	5.361	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226691769	VIBGYTFVPQKPQV-JZKQVHKSSA-N	403.309	5.874	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829903	QNRZBEILOWIELE-XFQAVAEZSA-N	417.336	5.196	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1	250066546	XUEBTWSKQGHHBN-RKVPGOIHSA-N	418.234	5.026	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	526455317	MJTMHEGFALOTRL-JOCHJYFZSA-N	404.535	5.488	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2O)sc(C)c1-c1ccc(C)cc1	1866106350	AWPHVIPSSHSZLF-UHFFFAOYSA-N	415.898	5.430	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)c(C)cc3Br)c2C)cc1	1874160637	MONPUCPNEGLDNU-UHFFFAOYSA-N	411.343	6.034	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccco2)c(Br)c1	1915124460	QOVZZJREMMLNFU-KRWDZBQOSA-N	413.359	5.919	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCCC2)nn1Cc1cc(C(F)(F)F)ccc1O	2069895380	JCQSBHLFVLCJOF-UHFFFAOYSA-N	424.463	5.659	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](C)c2cc(C)c(C)cc2O)c1Br	2080025037	MNIGREOVNNODKM-CYBMUJFWSA-N	423.351	5.052	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCN(C)C)Cc2ccccc2)cc1Br	2095859561	JHBBRZVHTNPPAG-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
CCCNCc1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100218941	HEEWSHAGCVAFEA-FGZHOGPDSA-N	417.391	5.133	10	10	HKCE	
Cc1ccc(Sc2nc3c(C)cccc3cc2C=C2SC(=S)NC2=O)cc1	2297314022	AYDGFFICHOSXAP-UHFFFAOYSA-N	408.573	5.492	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2297356681	BOJUSYDLKTYPID-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1	2318757335	YNVYUUNOBBQVET-UHFFFAOYSA-N	411.592	6.222	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3cccc(OCCC)c3)SC2=S)cc1	2321592576	QIWWFSYGUKEZCW-UHFFFAOYSA-N	411.592	6.224	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2321692217	OZBKTGWITYIFAY-UHFFFAOYSA-N	405.544	6.033	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332099352	MJIBXNWGFPNSNK-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2332104280	RDRLBBNYXIOVNP-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
CCN1N=C(C)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)C1=O	2332107194	ZFZPAVSLFIUVQH-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(C)cc2)N=C1C(F)(F)F	2332133090	BKOWGMDTXXZHFS-UHFFFAOYSA-N	402.416	5.128	10	10	HKCE	
CCOc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1	4729445	DLTVNGKCSIWRRJ-FPOVZHCZSA-N	417.347	5.059	10	10	HKCE	
Cc1cc(C)nc(Sc2cc(Nc3ccccc3)ccc2N[C@@H](C)CC(C)C)n1	5895112	GRUISRUYYIGZBW-KRWDZBQOSA-N	406.599	6.835	10	10	HKCE	
CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2c1N	12249972	UNEQEZNZBVGJPH-UHFFFAOYSA-N	402.519	6.006	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459604	SGWWROFWMMKOMR-BSRJHKFKSA-N	412.489	5.480	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479600	LAGGYKHWHODWON-LZCXECNNSA-N	413.517	6.109	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549498	JIAFZMKDIOGCBV-NDIVSWGXSA-N	418.540	7.168	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14552401	XFKDDECNWDTHFD-SLSDLSHTSA-N	414.936	6.727	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccccc1	16156194	IRDRQHIUAHOHKD-HMAPJEAMSA-N	416.452	5.219	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C(\C)c3ccc(Cl)cc3)SC2=S)c(OC)c1	39861705	LARCDKPNHPYEDX-BOPFTXTBSA-N	405.928	5.153	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1	53363088	HIMNHFKOCICJON-VWNXMTODSA-N	406.913	5.667	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1	206262520	QVZBKZDPZHJDGR-UYRXBGFRSA-N	411.548	5.393	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226686071	QXQNEPALSHPYQS-YTZAWJCFSA-N	408.973	6.830	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226725325	QJFHQVGDZOHDLE-QFZWGZQFSA-N	418.562	5.355	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591318	CZBGUHYZIUZYGP-OQLLNIDSSA-N	424.425	5.015	10	10	HKCE	
COc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	1860485382	GFNULBQYZRPZCI-CYYJNZCTSA-N	416.525	5.110	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)cc1	1865669173	FSFVXXXXLFHATR-LDADJPATSA-N	417.336	5.974	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OCC)c1	1865670114	JGLWOYGOLLBFOG-LDADJPATSA-N	417.336	5.974	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc(OC)c1OCc1cccc(C)c1	1865677035	SGVFVTKTKCVNHU-PXLXIMEGSA-N	420.553	5.620	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2034755341	XVXKTDUJLYPEJK-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2034826989	MDMGXIYAZMPIID-KRWDZBQOSA-N	403.408	6.000	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(Br)c1	2095879190	JSSFPRICJQCBJY-FQEVSTJZSA-N	417.391	5.133	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S	2297356661	CCUMSOYUZPFEKI-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	2297470126	GIGGVQZQNKKVLB-UHFFFAOYSA-N	412.518	5.165	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc(F)c2)sc(C)c1-c1ccc(C)cc1	2321853791	KTXYALUDLZBYQW-UHFFFAOYSA-N	409.482	5.610	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1C1CCCCCCCCCCC1	2323739721	IJNMSVGRFKTTMS-UHFFFAOYSA-N	405.604	6.700	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	2332119566	QPPPRDNBNLPSGJ-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2)C1=S	1228501	YWOZJWKTQBBGAX-BUJGOANSSA-N	424.525	5.300	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456702	IVIDYALFOBLMIH-BKSPAHHJSA-N	403.547	6.341	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552039	JZYWYOLTHKZABB-QUZFRVLNSA-N	420.578	5.144	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678678	LSMFINFTPNZFQA-LGVFNWMJSA-N	402.538	5.394	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20681978	LUZBDCKEPRYUPT-IECBHUPTSA-N	418.537	5.329	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1O	20694687	LIJIROSYVXXDRU-KHCICDEESA-N	418.537	5.244	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	20696394	JVMDNRMRSPWTFI-SIFCLUCFSA-N	400.316	5.768	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	43769588	NASZQGNHZHSODS-SFGWALBWSA-N	423.297	6.271	10	10	HKCE	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	43769724	QOEIODXPCHCUMV-FKCDAAJZSA-N	415.964	7.362	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	54620181	NGBKEDMKVZMOEQ-VWLOTQADSA-N	413.521	6.024	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226723958	CPKBACYWVWHNFU-LVCYWYKZSA-N	416.974	5.243	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226798498	LSMFINFTPNZFQA-DPLHUUCSSA-N	402.538	5.394	10	10	HKCE	
CC[C@@H](Nc1ccc(NC(=O)OC(C)(C)C)nc1)c1cc(Br)ccc1O	311297554	IAQDJPPGAAYDDB-OAHLLOKOSA-N	422.323	5.460	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CN1CCCCCC1	1084140403	MTLGEVYSWDULBO-GXDHUFHOSA-N	401.384	5.028	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(CCC4=CCCCC4)C3=O)n12	1858590684	DSZUMDYMWVCXOQ-NTEUORMPSA-N	424.016	5.449	10	10	HKCE	
CNCc1ccc(N(C)[C@H](C)c2cscc2Br)cc1Br	2186572104	BDOKWELIZIUQNS-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2F)sc(C)c1-c1ccccc1	2295343759	RJUGSXQYNJEGQQ-UHFFFAOYSA-N	409.482	5.691	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	2296020918	BEEVPGDVKXPIBI-UHFFFAOYSA-N	406.359	6.346	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OC	2296020946	OIUFZXVZKHYUTG-UHFFFAOYSA-N	421.543	5.653	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1	2321614871	GSNMBTMLFUYRMU-UHFFFAOYSA-N	422.394	5.577	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(O)c(OCC)c1	2332094879	QRGRRIPDONSBLK-UHFFFAOYSA-N	400.478	5.530	10	10	HKCE	
CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc(N(CC)CC)cc(C)c2c1	4757359	KJFWPYOTEZWINP-NTCAYCPXSA-N	403.526	5.440	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457188	IIHOTINARXOJBR-AXHZCLLHSA-N	418.537	5.290	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460705	YKKCRENVBSLMHG-HFMPRLQTSA-N	423.988	5.238	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476839	DKTGIJMHVVBURH-BCQCSXDESA-N	424.544	5.794	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14479096	WTWFXZYGFOYKLN-IBGGVINMSA-N	408.545	6.393	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549360	UMMMYUUJAWCKLE-BEYSDYMESA-N	421.540	6.845	10	10	HKCE	
CN1CCCc2cc(CNCc3cc(-c4nc5ccccc5s4)ccc3O)ccc21	15004679	JUYSNKIZLXXETM-UHFFFAOYSA-N	415.562	5.341	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702176	VQMXUZOMUIFABG-ZOCZFRKYSA-N	414.299	5.210	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20704510	CEDREAVASYXIJX-QEEYODRMSA-N	411.889	5.215	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1	54620433	XDMVCNYEBQWYNR-JOCHJYFZSA-N	413.477	5.102	10	10	HKCE	
OC1=N[C@@H](c2cc(Cl)cc(Br)c2O)Nc2sc3c(c21)CCCC3	95920303	VMUVYMRRGVZRGP-CQSZACIVSA-N	413.724	5.177	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	250269067	ZBBQYALDNISNMV-SRYPRDQNSA-N	408.929	5.075	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858591081	WWMXDFNYJBVSCK-XDUBLRSXSA-N	412.964	5.808	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(F)cccc1Cl	1865664298	JYSJSWIEKUMELT-JLHYYAGUSA-N	411.691	6.372	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OCC	1865665243	JATAIDSSCHQAAK-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4ccc(C)cc4)ccc3[nH]2)cc1	1872734403	NSSFLIWDWRKJOA-UHFFFAOYSA-N	412.537	5.315	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)cc1Br	2231464416	AHKXSSIFZYDWJZ-PXNSSMCTSA-N	419.407	5.115	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c(C)c1	2313503003	AHYPMECUTCEFOH-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S	2313653042	HZLBUQQZURVEOT-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323680449	DKXHGOONWZNOPD-MNXVOIDGSA-N	412.407	6.019	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2CC)cc1OCC	2332113786	KCOWNCRYPUEKOL-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccccc2C)cc1	2332148734	CXDBVLLDCULRCJ-UHFFFAOYSA-N	418.496	5.991	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@H]4C=CC[C@@H]43)ccc21	13642427	CFNNYDINKZDUJP-YDLGPDHBSA-N	423.516	6.858	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	14462099	XZWGDOWADXNFHI-JCYRPKCISA-N	406.570	5.775	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477541	QLBZQAYJSMLLPR-FJHFEUQMSA-N	419.566	7.780	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(SC)cc1)[C@@H]1CC=C[C@H]21	14552207	SJEARSDUOATMNR-NNMXDRDESA-N	408.567	5.001	10	10	HKCE	
CCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21	33445426	RUEAYHZEHWMUJJ-VXPUYCOJSA-N	422.575	5.226	10	10	HKCE	
CCCCc1ccc(NC2=NC(=O)/C(=C/C=C\c3ccccc3[N+](=O)[O-])S2)cc1	208351222	NRQBFWFFVKAENS-WSBRPHFPSA-N	407.495	5.576	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226693576	HNPYTMDTJWBPBF-HYFFOGBASA-N	414.889	5.490	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	251486697	BQHQICPWQPKSAH-KDDRXCPHSA-N	424.544	6.013	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526151267	OLBAFSOXWUFOMI-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CCCCOCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858587420	AJFOZSWYDKGXGU-SDNWHVSQSA-N	404.384	5.401	10	10	HKCE	
CCCCOCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858587427	AYLGYOXAIQTWFD-NTCAYCPXSA-N	403.491	5.113	10	10	HKCE	
Cc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1C	1859058498	HLNLCSHGQIQNGJ-UHFFFAOYSA-N	415.537	5.193	10	10	HKCE	
CC[C@@H](C)N(C(=O)OCc1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917190	MKRWWZYRZKTXGB-QGZVFWFLSA-N	413.473	5.404	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	1865658482	JHSVQTKINMTWRD-ULJHMMPZSA-N	412.508	5.953	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC	1865665148	DDMLEINQHIFOAE-XSFVSMFZSA-N	412.917	5.724	10	10	HKCE	
COC(=O)c1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccccc1	1865874028	RFMKVFRRGUVVLD-UHFFFAOYSA-N	423.578	6.055	10	10	HKCE	
Cc1ccc(CCOc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1	1871287332	OOJQCNFPFMBTHQ-KGENOOAVSA-N	411.592	5.474	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1	1915484630	ISCMMBFQUWKZGM-KRWDZBQOSA-N	419.407	5.551	10	10	HKCE	
CC[C@@H](C)N1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O	2294010756	INKPDLDYDWBQDB-SNVBAGLBSA-N	405.859	5.133	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	2296537517	SOZCQTNPJIJGBR-UHFFFAOYSA-N	412.363	6.111	10	10	HKCE	
CC1CCN(C2=NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1	2297467882	SUIQHLLUYPNUMG-UHFFFAOYSA-N	421.349	5.956	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321585740	YSKWOELIOBWNRI-UHFFFAOYSA-N	407.438	5.314	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475310	DJIXIIFMOUAVMJ-HWBMXIPRSA-N	418.562	5.355	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477248	KZXPLQTVKCOIRA-ZYKFEASCSA-N	415.364	6.348	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14479772	WQSXONPDXGTSSX-WRALFONMSA-N	422.594	5.433	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480063	HDIIWKDTQPEOSH-JCYRPKCISA-N	408.545	5.794	10	10	HKCE	
Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1	16292939	OJSHOKSCFSUZEB-UHFFFAOYSA-N	416.525	5.303	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ncc(Cl)cc3Cl)c3cccnc3)c(O)c2n1	54200401	WFVIJHZOAFDFGN-SFHVURJKSA-N	411.292	5.547	10	10	HKCE	
O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1	254344114	SCGPRLCHDRUCHI-UHFFFAOYSA-N	407.495	5.046	10	10	HKCE	
CC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)c1CNc1ccccc1	606657298	NWBKCCPPUAODDZ-UHFFFAOYSA-N	411.461	5.867	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(C(F)(F)F)cc1	1084326949	WEZNNLDAMHNHAF-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1	1858586400	FRSYZSNCHQOGRT-SFQUDFHCSA-N	423.481	5.158	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)cc1	1858591453	NFTFHTJPVVAWHE-CPNJWEJPSA-N	416.999	5.588	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(C(C)(C)C)cc2)cc1	1865658467	IVNHAAUKNQCZLY-XIEYBQDHSA-N	424.544	5.823	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1Cl	1865664552	SJSSARUTUXRJLY-VBKFSLOCSA-N	400.787	5.842	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2CC)cc1OCC	1865666444	LGFUZHCKQCGXKW-XMHGGMMESA-N	412.917	5.724	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cccc1OC	1865670026	DWYNTVSJNUUWDY-FOWTUZBSSA-N	416.880	5.078	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CCC)cc1	1865670111	JBLNDBUFVOGDRA-OQKWZONESA-N	408.517	5.977	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(Br)cc1	1865679801	HIOLQZZRTWDXJO-DEDYPNTBSA-N	411.343	5.648	10	10	HKCE	
O=C(C(=O)c1ccc2cc(OC3CC3)ccc2c1)c1ccnc(NCc2ccccc2)c1	2059920990	PLJFBOWWGUHVDL-UHFFFAOYSA-N	422.484	5.454	10	10	HKCE	
CCCNCc1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100218943	HEEWSHAGCVAFEA-YADHBBJMSA-N	417.391	5.133	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@@H](C)O)c(Br)c1	2157014962	AXCYCOVODMJAAD-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
CCc1ccc(NC=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1	2296405768	ZQXVLHAEIMCEKE-UHFFFAOYSA-N	416.428	5.120	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cc(Cl)ccc1Cl	2321646962	WFZOIKJZBPXINB-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC	2321734064	RJTBSQVRQFVQSN-UHFFFAOYSA-N	417.577	5.222	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1sccc1C)[C@@H]1CC=C[C@H]21)c1ccccc1	14456164	OGPNGOSWNYBSPE-ZILOHOTNSA-N	414.574	6.550	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465730	WHQKUPZUXJQWNG-FBLLAGFSSA-N	414.936	6.443	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	14549777	KUVKBCDMDUBNNR-WRALFONMSA-N	412.508	5.924	10	10	HKCE	
Cc1ccc(C(=O)O)c(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1	16933961	HOQDQBWRURPPJI-CHHVJCJISA-N	407.278	5.082	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700195	HHSLGDWITQJAJF-PNCHPQGNSA-N	400.909	6.419	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1	54619303	FFCIXEONHKPJGB-JOCHJYFZSA-N	413.477	5.022	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	251369197	QKPUEGCSEQYURS-CWYGMBDRSA-N	424.610	5.713	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526293714	NZCQDCIAWNNQFK-QFIPXVFZSA-N	404.897	5.463	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858595730	HIJQIEQKVCZULT-LFIBNONCSA-N	417.427	5.317	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)cc1OCC	1865665477	VUJLKWFIWPQQPB-RCCKNPSSSA-N	400.478	5.443	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673428	DJONUPOPKDKMSA-MHWRWJLKSA-N	421.697	5.433	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	1866148263	XPOSUPMGHCZLKL-UHFFFAOYSA-N	408.523	5.093	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCC(C)(C)O)Cc2ccccc2)c(Br)c1	1915776867	PFHPHBUIAFTQCW-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
CN(Cc1cc(Cl)cc(Cl)c1N)c1ccc(CNC(=O)OC(C)(C)C)cc1	2163040015	URICINQYILEAGD-UHFFFAOYSA-N	410.345	5.237	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2223535514	OTUCVWOTEZLPPP-QGZVFWFLSA-N	401.392	5.754	10	10	HKCE	
Oc1c(N=Nc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)nn1-c1ccccc1	2297741798	SUMRBHVGPZHKRG-UHFFFAOYSA-N	409.276	6.967	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	2318683685	HPYFVEVUZTUFQF-UHFFFAOYSA-N	421.509	6.230	10	10	HKCE	
FC(F)(F)c1ccc(N=NN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1	2330186209	KGMWYJZLCKLAHG-UHFFFAOYSA-N	403.235	5.833	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)c1	2332119126	GQAQLKQKNQCQAY-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2912084	MWIMHTJDBWEHAQ-LICLKQGHSA-N	418.465	5.901	10	10	HKCE	
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	10012667	JKOZGFQGWBOPTQ-OCEACIFDSA-N	418.478	5.015	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13644183	MBTFNLYYTKMPNR-ZEVJAHDQSA-N	423.560	5.509	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464157	DJHRQRPGPHPVNF-MDJJAXGLSA-N	424.544	5.575	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCCC1	14544925	XJUVQTPHLFFZLF-JDITYXQVSA-N	411.549	6.011	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21)N1CCCC1	20711597	NGTWEQRHZHCACC-PZPWOCDFSA-N	413.348	6.056	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226728796	LXYMTCUVSMTCEO-ALTZYDRJSA-N	409.573	7.258	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)NC(C)C)cccc2[C@@H]2C=CC[C@@H]21	226879747	XJSNSIUDXATBAQ-HEKZAOSPSA-N	412.533	5.813	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(NCc2cc(Br)ccc2O)ccc1F	310605275	IJONSMNCICJAGL-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079997653	GHRTYWVXORMQPV-FQEVSTJZSA-N	402.922	5.303	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1ccc(CN)c(Br)c1F	2186579049	JPIOYUFUVQCSBJ-QMMMGPOBSA-N	422.161	5.068	10	10	HKCE	
CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	2293789267	HUIRCYQLULEZEJ-UHFFFAOYSA-N	416.930	5.313	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	2321646779	PHHDNNJEIKAZBT-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332099275	DGVOBXUXCDMCDS-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(C)cc2)cc1	2332105071	VJNDLRFQNWUTJQ-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1	4729460	NAFXRZWOCSMECU-ATIYNZHBSA-N	416.521	5.194	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(F)cc1	6889714	WQMPDWRKUICPPT-NDENLUEZSA-N	411.263	5.967	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457291	PCXPABKFQVDPGM-GLDPYIMESA-N	418.537	5.099	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469896	ZRNHDBLFWGXEPB-SKPFHBQLSA-N	422.355	7.399	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	14475209	CDYNEZKSKLVMSC-CKJXQJPGSA-N	400.736	7.627	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550454	SWXCUWASWHVZJF-XFAFFCHDSA-N	413.517	5.980	10	10	HKCE	
Cc1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621414	KGTGITCNHMAJTF-QFIPXVFZSA-N	400.438	5.062	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226804634	IVOVWCHWOYEMSQ-SLSDLSHTSA-N	418.606	6.251	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(SC)cc1)N2	226909999	IOEPFYHSLFMQRX-TXTKFYIRSA-N	408.567	5.001	10	10	HKCE	
C=CC(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1	271776444	MXXVPCCKVUYGHS-UHFFFAOYSA-N	402.838	5.219	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526208296	HKUXLUITCVMYLY-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860086133	LXFUAKHUZKXJRV-GZTJUZNOSA-N	423.481	5.898	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086555	QHLHODQABPGWSQ-XSFVSMFZSA-N	422.962	6.489	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)ccc1[N+](=O)[O-]	1860087865	XEJNSMRQKJKCHM-WOJGMQOQSA-N	414.508	5.096	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CC)cc1OC	1865672256	SHNHDQCKHKDLGK-HEHNFIMWSA-N	406.526	5.851	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccncc2)cc1	1865673815	YLTDFVKQTKRDLQ-HAVVHWLPSA-N	405.457	5.078	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1c1ccccc1	1865674546	LETCTORKXYMQPJ-XLNRJJMWSA-N	416.908	5.963	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1CCC1	2079798971	OZEHSEVSWGAPML-UHFFFAOYSA-N	417.269	5.809	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2294602867	ZVTYKLWULZFUFU-UHFFFAOYSA-N	406.486	5.027	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	2321708971	DRIIBXFJWWEMHU-UHFFFAOYSA-N	418.543	5.087	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1Cl	2332103912	DOCFQITWVWBNFQ-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133274	USLQXSGKYYAXDE-UHFFFAOYSA-N	410.945	5.957	10	10	HKCE	
Cc1ccc(CNc2ccc(CNC(=O)OC(C)(C)C)cc2)c(O)c1Br	2352953540	UZXLMGNDHPFCKG-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC(C)C)cccc4[C@H]4C=CC[C@H]43)ccc21	13643079	PXAVDCLFROYZRL-PGKWVRKKSA-N	422.572	7.428	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467801	YCRJDTABVMDNPH-BXTJHSDWSA-N	404.337	6.704	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477479	PYZXIKCOFPJYMR-WHSLLNHNSA-N	402.321	6.387	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477673	HLWSMSMWBABADP-AUSJPIAWSA-N	401.337	5.960	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccc(C)c2)[C@H]2CC=C[C@H]32)cc1	14480130	VDAQZOPZRCPGFG-FXSPECFOSA-N	424.544	6.473	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCC1	14548068	SVSHSLAUPPJOCG-NTOOTBGVSA-N	424.544	5.998	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551064	BZUHJNLFSSZZLY-MRUHUIDDSA-N	411.889	5.813	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@@H]21)N1CCCCCC1	20720354	XJUVQTPHLFFZLF-JCWFFFCVSA-N	411.549	6.011	10	10	HKCE	
Oc1c([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)ccc2cccnc12	54619486	QGJZESQWLWKGFF-FQEVSTJZSA-N	412.386	6.300	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	250879985	UCOHZWOHHWWSEC-URLDNKFUSA-N	414.574	6.374	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385435128	MVHINVGGOADESD-DLBZAZTESA-N	401.392	5.925	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1860085358	GJPNHGBYUWDTNQ-RCCKNPSSSA-N	405.544	6.034	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	1865664170	DJKJPVBSBQHMME-ZHZULCJRSA-N	408.423	6.312	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)cc1Br	1915271361	GMVQEJHGIXNECS-VGOFRKELSA-N	419.407	5.143	10	10	HKCE	
C[C@H](O)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	2077088487	VCIZOXULILFHQG-HRAATJIYSA-N	404.348	5.078	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079139434	WDIVMULCZUJBNL-INIZCTEOSA-N	409.324	5.117	10	10	HKCE	
Cc1cc(Br)c(NCc2ccc(Cl)cc2O)c(Br)c1	2090126470	GELGQOZAIQVJPH-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC[C@@H](N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cc(Br)ccc1O	2098269333	QMQSUJPPZGLGOA-AZUAARDMSA-N	417.391	5.249	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(Br)c1	2231469478	JFXYCBPZZVCMDE-YLJYHZDGSA-N	417.391	5.133	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2296540326	SWWFRDMIQMINGI-UHFFFAOYSA-N	423.515	5.182	10	10	HKCE	
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1	2296681957	ISXXTAVNKPSXCC-UHFFFAOYSA-N	407.491	6.024	10	10	HKCE	
O=C1C(=CC=Cc2ccc(Br)cc2)SC(=S)N1Cc1ccccc1	2297307877	CMSQBTLPQDJVAX-UHFFFAOYSA-N	416.365	5.407	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332099437	VICWHJIMLXEZOF-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3ccco3)cc2)C1	6782072	RDUOUWROTLSDBQ-IBGZPJMESA-N	410.517	5.792	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466793	XFTQZFOZWBOLQU-AXHZCLLHSA-N	423.988	5.238	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	14549778	KUVKBCDMDUBNNR-HWBMXIPRSA-N	412.508	5.924	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712675	GBDCQSHPKKZEJO-ZOCZFRKYSA-N	404.337	6.235	10	10	HKCE	
CC[C@H](Nc1ccc(Br)cc1F)c1cc(Br)ccc1O	21013681	HAQJIEBVDPMAIT-ZDUSSCGKSA-N	403.089	5.620	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226889413	NFRMCECCLVHRKN-IZGSKCEXSA-N	415.364	6.348	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385521108	TUMVWGQPKIVNTL-KRWDZBQOSA-N	401.392	5.752	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1	1565517571	OOOVGVTVOBELIC-AREMUKBSSA-N	417.512	7.047	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865673679	QUNMJRJUUKRIAS-NDENLUEZSA-N	408.835	5.448	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2O)sc(C)c1-c1ccccc1	1866106422	IDNBJEAHOCMZSE-UHFFFAOYSA-N	401.871	5.121	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915438237	OYJULISRZJYORD-APWZRJJASA-N	417.391	5.304	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Br)ccc2O)c1	1925139157	IVNQGVOUCDRXSF-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CN(CCCN=[N+]=[N-])C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1	2124509049	KLAYHTLNUAMKPZ-UHFFFAOYSA-N	402.282	5.113	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C	2293402372	SBLMAVIZEQEHSF-UHFFFAOYSA-N	419.955	5.067	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1	2313682034	TXEPDKYLVADSCG-UHFFFAOYSA-N	421.394	5.613	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332119411	KBDOPBXAPRVHTD-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635660	QWDFCPDOPMKLRJ-JCYRPKCISA-N	424.544	5.794	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457809	ZWFKUSRGSXVWBJ-DCLXLUIPSA-N	424.610	5.515	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14467311	QHHCUOGGJYFBNH-MMPTUQATSA-N	411.126	6.288	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477001	MRWYCNKYAOHQHG-LAPQFRIASA-N	423.365	5.070	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20699665	MYEXDFUMCNPYMS-PQNGQFLHSA-N	420.984	6.571	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750368	CHJYDZYFTNCEBY-DDVAMESESA-N	404.337	6.235	10	10	HKCE	
CCCCCC[N+](C)(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21	33933643	RRSXTIKDEOJZEX-UDWIEESQSA-N	401.039	7.283	10	10	HKCE	
COc1ccc([C@@H](C)Nc2ccc(Br)cc2Br)c(O)c1	36956687	GLXYUBWZEJEFRE-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226842192	DJIXIIFMOUAVMJ-OTNCWRBYSA-N	418.562	5.355	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	1860074721	GSNMBTMLFUYRMU-OQLLNIDSSA-N	422.394	5.577	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865665641	FBIBAIAIUVAXJR-QPEQYQDCSA-N	419.617	5.995	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc(C)c1-c1ccccc1	1866008464	WIPKGAXWKQHLQK-UHFFFAOYSA-N	420.317	6.069	10	10	HKCE	
Cc1ccc2nc3c(c(C(=O)Nc4ccc(Cc5ccc(N)cc5)cc4)c2c1)CCC3	1866274884	DGJFCCVUVWWFAA-UHFFFAOYSA-N	407.517	5.457	10	10	HKCE	
Cc1ccc(C(C)(C)C)c(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1	1872857035	WKHIQOCLUXXAGM-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
Cc1ccccc1-c1nc(C)c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)s1	1891398554	QKQMNYIWEKBRDK-FPOVZHCZSA-N	417.578	5.346	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(CO)c(C2CC2)c1)Cc1ccccc1	1901156811	NQWZSIXXHOLLIB-UHFFFAOYSA-N	400.566	5.195	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2034823199	RPJUQKVPWSUKST-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1	2313510491	LJESMKXGSCVGDD-UHFFFAOYSA-N	407.809	5.798	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(OCc3ccccc3)cc2)C1=O	2321698248	XZQAYNNBMMVIFB-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccs2)sc(C)c1-c1ccc(C)c(C)c1	2325815135	ZCAJKAFYLCTJLL-UHFFFAOYSA-N	411.548	5.840	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332099935	UDQCVTUGZULLSR-UHFFFAOYSA-N	420.862	5.982	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332116572	CIJRBUBGTIEVFA-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c2ccccc21	2332128903	OWRKLJDUVGZYDK-UHFFFAOYSA-N	409.464	5.148	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3O)C2)cc1	4729816	NCFGVIIDIIBRAH-ILBGXUMGSA-N	402.563	5.899	10	10	HKCE	
CCOP(=O)(OCC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1	5393435	BPXWXTFWTJXBKL-IBGZPJMESA-N	407.407	5.038	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470280	RUOHBHHBWMBFQJ-XFAFFCHDSA-N	411.545	6.879	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20678875	BWTCIPRBTGXEFJ-SKVJQKLOSA-N	411.545	6.533	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@H]21	20749728	ORVHEXYGBUMFDL-UMEGOILYSA-N	402.538	5.538	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1	20763823	KRHHVDRHIPGCBO-JXFKEZNVSA-N	413.340	5.439	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1	36348462	KTXKBEDDQCRAMV-QFIPXVFZSA-N	411.889	5.059	10	10	HKCE	
C/C(Nc1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	205954810	HBYPJXKTSJWSHJ-LTGZKZEYSA-N	410.502	5.433	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226706351	ORXMYWYUEWQJHG-IVZHQMGZSA-N	400.736	7.627	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c1Cl	226854060	QRLXZMYXDGTESD-OIMWQHCXSA-N	416.348	6.378	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	251387099	VIIMYRWSGYHLMU-XOTWJMMUSA-N	416.974	5.243	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	251498124	FGKOFPHZVQGCBV-YSWCGASXSA-N	412.508	6.143	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	379437389	LYTUYYSSWAZQGO-UHFFFAOYSA-N	423.398	6.156	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	1860085220	WOFCPNGSYZGRNM-OVCLIPMQSA-N	412.388	6.121	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	1860085492	NPRQPMCMZMBDAI-XSFVSMFZSA-N	410.564	5.097	10	10	HKCE	
CCOc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1	1865886379	HVSXJIJBMAXHOH-UHFFFAOYSA-N	409.507	5.470	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(OC)c(Cl)c2)sc(C)c1-c1ccccc1	1865963877	UQVDSHXTUMMBDE-UHFFFAOYSA-N	415.898	5.424	10	10	HKCE	
C[C@H](CCO)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	1915436086	TTYFVAPYGKBAKO-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(Cl)c1	2296453318	NDUGIKJQGRAWMI-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1	2297617442	QITZBBZXFQWJMY-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1	2313577388	MCQJHSNHPLBEAG-UHFFFAOYSA-N	405.494	5.086	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccccc2Cl)cc1	2332104656	DNDYSBWNXVDTEJ-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OCC)c1	2332119373	HDOXSACJCQAFFM-UHFFFAOYSA-N	420.553	5.702	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	2332127652	SJJFEEZQJIWOBC-UHFFFAOYSA-N	419.255	5.707	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	2332148754	FIXGMFKEIWJMCX-UHFFFAOYSA-N	404.872	5.618	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1	4729459	NAFXRZWOCSMECU-GJZUVCINSA-N	416.521	5.194	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475087	HOCBMEPQQOSMRS-CLCZQPDDSA-N	416.524	6.919	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14544784	HHSIAMOENSXZMH-RGZWJVDOSA-N	421.566	5.025	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546312	ZZHMYGGIJGYHET-XXAUWVGASA-N	411.545	6.533	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14546411	ORVHEXYGBUMFDL-ZYLNGJIFSA-N	402.538	5.538	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCCc1ccccc1	33448097	TZWFXYOREZHPAM-GZTJUZNOSA-N	408.375	5.827	10	10	HKCE	
CCCC[C@@H](CC)CNc1ccc(NCCC(C)C)c2c1C(=O)c1ccccc1C2=O	38643588	PYYYAKHJCLDAGG-LJQANCHMSA-N	420.597	6.548	10	10	HKCE	
Cc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c([N+](=O)[O-])c1	54621407	XAEXRGTXTVUCTH-OAQYLSRUSA-N	403.413	5.498	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(Nc2nc3ccccc3s2)C1=O	210511185	VSLIUCVRDUAFAI-QKIOLIMFSA-N	409.561	5.471	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226660566	STTQQGNHVOPDNP-QQNWGBJXSA-N	416.609	6.928	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226851017	RTCCFFTZQVHXFV-QZMQVMSPSA-N	402.365	7.245	10	10	HKCE	
CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	311292973	DVLQYZSSJKBBFT-LJQANCHMSA-N	405.366	5.118	10	10	HKCE	
CN1/C(=C/c2sc3ccc(F)cc3[n+]2C)Sc2cc(-c3ccccc3)ccc21	1614994488	QXCACTTUJKKKAW-UHFFFAOYSA-N	405.543	6.072	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	1860086290	WBPVWYICXLBYPD-HMMYKYKNSA-N	410.564	5.091	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865679882	LGBBGJLZMHKXIU-ZHZULCJRSA-N	417.852	5.078	10	10	HKCE	
CCCN(CCC)C(=O)Cn1c(-c2ccc(N(CC)CC)cc2)nc2ccccc21	1873519464	ZAAYSRXNDPZCAT-UHFFFAOYSA-N	406.574	5.198	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2034822927	OOTABCVIRGPENZ-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
CC(C)c1c(C2CCC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079720406	MTLFKOFIGAEZKL-UHFFFAOYSA-N	417.269	5.809	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC2(CCC(Nc3c(N)cccc3Br)CC2)C1	2106208994	YPNQQCALIKYUQF-UHFFFAOYSA-N	424.383	5.013	10	10	HKCE	
CCN(CC)c1ccc([C@@H](CCCCCNC(=O)OCc2ccccc2)NC)cc1	2236171953	RVYKPGUBUYQUPN-XMMPIXPASA-N	411.590	5.280	10	10	HKCE	
CC(C)c1ccc(C=C2C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1	2294631199	HRUCPOXLJTXBQN-UHFFFAOYSA-N	420.563	5.320	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1	2297461982	QVOQMTMVDHSFFM-UHFFFAOYSA-N	400.670	5.593	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	2313610174	TYAOZKMLWXAVAR-CYBMUJFWSA-N	401.384	5.464	10	10	HKCE	
CC(C)c1ccc(C=CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	2325129605	OQNRXORLSJXAOE-SANMLTNESA-N	419.613	5.233	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(O)c1	13640311	VLYIOAKHORVGNP-ISJBWFOZSA-N	413.517	5.936	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13645288	LUTGDELHSMOMHS-JCYRPKCISA-N	409.533	5.831	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14476128	FOCDJZBLCJDQSN-GLDPYIMESA-N	414.461	5.706	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700367	PZRFJMMPBRSFDA-PNCHPQGNSA-N	406.957	6.229	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1	20712562	BMDDTCIDAIGVJM-PMECCGAFSA-N	416.348	6.378	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750395	ZGZJVHJPEBHQBX-KUUHDYPXSA-N	417.336	5.196	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753416	GXVDVFXPFIISKP-RNHFSVANSA-N	410.448	6.867	10	10	HKCE	
CN(C)c1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1	21891640	SJKLQTZRJDZXSV-AREMUKBSSA-N	422.532	5.680	10	10	HKCE	
Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1	55356466	RYNBTMKZNBCMPX-UHFFFAOYSA-N	405.498	5.113	10	10	HKCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccc(C)cc4)OC3=O)o2)cc1	59425826	YPDNSYOXDNNYQG-ZHZULCJRSA-N	400.430	5.413	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2F)cc1	526198810	IVHJYOYREDCKIL-JOCHJYFZSA-N	422.525	5.791	10	10	HKCE	
O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	1860074708	FQZZBNDGSGSIKO-LFYBBSHMSA-N	405.875	5.826	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1Cl	1865658531	JUTBQBHMJZZGOE-XLNRJJMWSA-N	408.888	6.328	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865674048	LOTIDGUXKADWQS-HZHRSRAPSA-N	416.908	5.721	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2034812181	ASMFXATVOZPWDW-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
Cc1ccc(O)c([C@H](C)n2nc(C3CCCCC3)cc2I)c1	2070176887	PIIZJHRBKVBDFP-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc(Cl)c1Cl	2313574235	HCCAANAGKSTYIQ-UHFFFAOYSA-N	406.240	5.010	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1	2321613329	BEISKFUEZWAWOV-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4cccc(F)c4)SC3=S)cc2)CC1	2321683323	UUYLEEOQXATHDF-UHFFFAOYSA-N	412.555	5.468	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323680896	UUTXHYAWKPCTNY-XWUBHJNHSA-N	422.959	5.274	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1	2323889602	IXMGOZRVKLETTP-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCCOc3ccccc3)cc2)SC1=S	2331589411	AYQAIEHQHFJGBU-UHFFFAOYSA-N	413.564	5.002	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332104689	HQOZZHARGWZBMH-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2332134576	LHCLGQCRYDBZJO-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13636439	QIOYETROIBUCOB-FXSPECFOSA-N	410.517	5.798	10	10	HKCE	
Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14464850	RTQZHQDYROZZRV-HDMKZQKVSA-N	407.682	5.771	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467872	JBDBFJUXOJVUHR-CCDOGKGBSA-N	404.337	6.703	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O	33399444	QDWDKMGIXULCLN-ZSOIEALJSA-N	402.368	5.536	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)c1	54619817	VORINZYMRPXVNQ-QHCPKHFHSA-N	412.489	5.627	10	10	HKCE	
CCCCOc1ccccc1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	59860446	HIWJZKYDEQDUMC-CAPFRKAQSA-N	414.461	5.525	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2[C@H](C)CCc2ccccc2)cc1	96642922	XRWYRCQQCHJWQI-LJQANCHMSA-N	403.570	5.602	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1C	105570873	IWZHXOFJKUZGOR-VQERKYHCSA-N	403.511	5.610	10	10	HKCE	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	250377781	IONZXMIVHQLPGN-RQTOMXEWSA-N	422.594	5.466	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526426272	AGZPQRSFARWNQO-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1C	1860076516	GSHUPQDXTSPYAZ-VGOFMYFVSA-N	419.984	5.380	10	10	HKCE	
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1871279333	QQNNZPUCTQSGSH-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2095951889	MPZXPZXAKJPSHB-OALUTQOASA-N	417.435	6.561	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(Br)c1	2231465649	POHXRLBDPMJUDO-XLIONFOSSA-N	417.391	5.133	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1	2313682033	TWYBTPZAIZPSFU-UHFFFAOYSA-N	418.324	5.891	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1cc(Cl)ccc1Cl	2321647040	URJAKASOPLYBNE-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2CC)cc1OC	2332125885	ZLYNOICJLZPTHI-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1OC(C)C	2332133677	NYMQPEQZUSGHAR-UHFFFAOYSA-N	403.309	5.582	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1	2332139538	RBIHCYBZHIWGHT-UHFFFAOYSA-N	410.798	5.386	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)cc2Cl)c(O)c1Br	2352694497	SWXHOBNJHHRUAY-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461110	LFFRELXJVASXJQ-HYFFOGBASA-N	414.343	6.016	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469707	IHWDJQXAOWMCJY-DCLXLUIPSA-N	416.452	6.139	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20680304	OHXZXDNQUDFJJF-TZBSWOFLSA-N	410.517	5.885	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2Cl)[C@H]2CC=C[C@@H]32)CC1	20700514	GVBGNUHJUORRMF-STSQHVNTSA-N	406.957	6.039	10	10	HKCE	
CCCCN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21	33445425	RUEAYHZEHWMUJJ-FMQUCBEESA-N	422.575	5.226	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1	40867509	OABRDODKJBLPSR-DHDCSXOGSA-N	424.330	5.186	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc([N+](=O)[O-])cc3C)c3ccncc3)c(O)c2n1	54621801	XWRYHGXELAXESU-NRFANRHFSA-N	400.438	5.062	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)ccc1O	226670029	MSAZERKXGOKMHM-IMWIBFENSA-N	418.537	5.099	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1O	226675664	XWVGXUCYXGCCLN-YZIHRLCOSA-N	413.517	5.849	10	10	HKCE	
O=C(O)/C=C\c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1	309599838	ONRIWZOWEFKNNS-OWBHPGMISA-N	411.423	6.010	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cc1	1860073466	IDGBBQMAOAQCNO-LDADJPATSA-N	404.507	5.217	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1CCc1c[nH]c2ccccc12	1860074715	GKDMHRXJICBBLW-HYARGMPZSA-N	414.555	5.765	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCN(C)C)Cc2ccccc2)cc1Br	2095865860	ALDHIRJUYRFACO-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cc1Cl	2180957578	QOZGGPBHQIBGIX-JTQLQIEISA-N	414.293	5.113	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cccc2ccccc12	2297453326	CWZRTQVXLQFZAV-UHFFFAOYSA-N	406.283	5.321	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccccc2Br)cc1	2313671258	WKORJCXAQGQWFC-UHFFFAOYSA-N	407.267	5.185	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	2321672396	JCVQIELQLBPPAA-UHFFFAOYSA-N	418.543	5.845	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1CCC	2332132945	KVUDGWSNFKKOER-UHFFFAOYSA-N	414.908	5.850	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(Br)cc1	2332147464	FRIALRUWVQAZDI-UHFFFAOYSA-N	421.697	5.433	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(Br)cc2)c1	5839075	GCSVZMHGWPQLKH-FMQUCBEESA-N	412.125	6.630	10	10	HKCE	
Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(Br)cc1	9775244	RLKMCPRJMIJCJK-NRFANRHFSA-N	406.283	5.299	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCCCCC1	14464602	XGGXAOCNXKAFPP-YRLRHBCXSA-N	422.572	6.683	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465558	GULDTMJECVYPMS-JNEVIBOXSA-N	416.974	5.243	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476285	WVRAUBKLINCTJG-OREGWCPLSA-N	410.517	6.051	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477152	RTCCFFTZQVHXFV-HKARXFIJSA-N	402.365	7.245	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546898	WEFHMHJRRDYXCR-HKARXFIJSA-N	402.365	7.245	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2sccc2C)N3)c1	14553531	FIPGFEXYBLCIGW-ZRCGQRJVSA-N	400.547	6.444	10	10	HKCE	
Cc1c(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cccc1C(=O)N1CCCC1	109778962	BFYZFJFLHDCXGX-UHFFFAOYSA-N	419.500	5.030	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226728477	AMSWPGVQCSXARA-ONBPZOJHSA-N	410.517	6.051	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)CC1	226883250	VJQARFWVRGZZSM-IECBHUPTSA-N	417.509	5.293	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1	526225649	SEKAFLKWRYEFJR-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
Oc1cccc(Br)c1CNc1cc(Cl)c(Br)cc1F	706883159	GSZLMBYKTKVSFL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1	1081103592	MTYIAKTZIRSORR-MHWRWJLKSA-N	419.369	5.028	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccc(F)c(Cl)c1	1860073501	KZTIGYCYOOTGAF-MKMNVTDBSA-N	400.283	5.244	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860075212	QSIBEOWFKDZGIX-OVCLIPMQSA-N	424.772	5.817	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C	1874158670	XTOSFZLAFWWXHW-UHFFFAOYSA-N	423.727	6.315	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915371438	AUGZVLQHJXDVDM-HNNXBMFYSA-N	401.373	5.737	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2034701643	DHRKMVRVZMWBRM-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@@H](C)N)cc1Br	2156994809	LHNXSIVHKZJZJO-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1	2293746731	QSPFLYRRHVKOST-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
CC(=O)N(C=CC=CC=C1SC(=S)N(c2ccccc2)C1=O)c1ccccc1	2295086370	GFUMNEQPQSXELK-UHFFFAOYSA-N	406.532	5.058	10	10	HKCE	
CCN1C(=CC=C2SC(=S)N(C)C2=O)Sc2ccc(-c3ccccc3)cc21	2296679792	YEZFJUVGGGOIAT-UHFFFAOYSA-N	410.589	5.501	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1ccc(C(C)C)cc1	2313499086	JVLVPZQMLWAIIJ-UHFFFAOYSA-N	403.522	5.811	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1	2313682302	ZPFGBPRVILDLOG-UHFFFAOYSA-N	412.449	5.370	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1	2321613579	NQZKRBPBTZNZQN-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2321672339	RYMZLVGQNHVAQZ-UHFFFAOYSA-N	400.912	5.236	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S	2323676085	OGFONQQGAGZVQD-OAHLLOKOSA-N	413.564	5.274	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC)c1	3001143	SXZTVKHFHKUFJV-VCHYOVAHSA-N	419.955	5.543	10	10	HKCE	
CCN1C(=O)/C(=C\C=C2/N(C)c3cc(C(F)(F)F)ccc3C2(C)C)SC1=S	5867656	UWDPPYOEEFAUJR-YVKOIJOCSA-N	412.502	5.081	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14472987	QSHKRZILIHYESH-JLDZCNIISA-N	423.900	5.311	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	14548297	GSYLJCFFZDPYMY-LZCXECNNSA-N	410.517	5.608	10	10	HKCE	
COc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1	33296098	UYZWLWSQCVGJEF-UVTDQMKNSA-N	423.808	5.498	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc([N+](=O)[O-])c1	39372923	YMAYHUSSGGPPNN-UMGGQSCQSA-N	413.477	5.000	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3ccccn3)c(O)c2n1	54619503	BFOPHCRAVVWLFK-OAQYLSRUSA-N	409.411	5.864	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856252	APMHICKUVCUITI-LNPFQXMTSA-N	415.364	6.805	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccccc1Br	1860074861	UBXBBBMADALIEY-RIYZIHGNSA-N	412.280	5.133	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c1	1860086429	HEZCPKPUVUVHLL-WOJGMQOQSA-N	419.955	5.543	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(OC)cc1OC	1865678851	HTIBFWHDYHVRIY-LFIBNONCSA-N	416.880	5.078	10	10	HKCE	
CN(CC[C@@H](Nc1c(N)cccc1Br)C(C)(C)C)C(=O)OC(C)(C)C	2264026084	DDLPAFLVQMNKKG-OAHLLOKOSA-N	414.388	5.115	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(Br)cc1	2321664249	XZMWDQYUJDMALV-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc2ccccc12	2321698271	JAWGAMAJHORUCK-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cccc(C)c2)cc1	2332141427	XASANKLIAGFFRU-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2	13636568	VGMDCEFCTYHCAV-LGVFNWMJSA-N	418.518	5.020	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462325	UKWZKPUKLYSSHP-AKBCKCPUSA-N	417.597	5.888	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465152	SMAUWRKQINNDNZ-AWRGLXIESA-N	414.936	6.097	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	14550819	UVOFXRSELYQECE-SXWKCWPCSA-N	417.509	5.484	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2)[C@H]2CC=C[C@H]32)cc1	14551428	YTYNTLVDDIWLOU-HWBMXIPRSA-N	410.517	6.164	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F	17092644	JVKULLKMJFUDIG-CPNJWEJPSA-N	421.394	5.613	10	10	HKCE	
Cc1ccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)cc1	20367861	UINJFYOUAMRJFI-OAQYLSRUSA-N	419.322	6.213	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@@H]2CC=C[C@@H]32)cc1	20752905	FLDFZWRMTWEJEX-NRYAXDJKSA-N	416.546	6.226	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1cccc(Cl)c1	253490889	KKERNZFWTVPSTE-KVPLUYHFSA-N	402.925	5.745	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O	1860074670	BTCMLUMJJLOVTJ-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CCC)cc1OCC	1865665467	VJAOEQZVZGNBHR-OQKWZONESA-N	420.553	5.846	10	10	HKCE	
N[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O	2016691312	MODLGBBGNPWCCC-MHZLTWQESA-N	411.501	5.598	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2034819088	BRZNUNPHCLKOKF-MSOLQXFVSA-N	403.408	6.171	10	10	HKCE	
CCCCCCOc1ccccc1C=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2296374234	DJYSWXGGKMJQTC-UHFFFAOYSA-N	424.544	6.480	10	10	HKCE	
COc1cc(OC)cc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1	2321740261	WBWSORNXWDAUSC-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
CCCCOCCCN1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323743828	AYLGYOXAIQTWFD-UHFFFAOYSA-N	403.491	5.113	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cn(C)c2ccccc12	2332128077	OKULIBNIZADYTQ-UHFFFAOYSA-N	408.299	5.137	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@H](c3ccccc3O)C2)cc1	4729814	NCFGVIIDIIBRAH-UKILVPOCSA-N	402.563	5.899	10	10	HKCE	
CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1	5191231	NJIKPFQTFCEASA-ULJHMMPZSA-N	416.471	6.142	10	10	HKCE	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)C1	6782087	ADOVDINPHCPOPV-NTKDMRAZSA-N	414.549	5.178	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13636020	BWTCIPRBTGXEFJ-VBOOUTDYSA-N	411.545	6.533	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457462	NJINPETZHITLOY-HLFMIMNKSA-N	412.917	5.619	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463004	YQDFOYVXWRIPGC-LGVFNWMJSA-N	410.583	5.325	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14466573	VYFHAJIFQGROAA-ISJBWFOZSA-N	407.985	7.516	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477315	DVLNOWKWCUCNQP-POUQZMQPSA-N	415.364	6.348	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@H]21)c1ccccc1	14479012	XTWPCEXGCXDFJV-PPJWLVRDSA-N	408.545	6.488	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543896	RUOLFMJFAOIJEO-ZEVJAHDQSA-N	410.517	6.164	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	14551151	BOUFHCQDRIXCRF-LGVFNWMJSA-N	411.461	5.674	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20705001	PPLNAXGDAAQHDP-TXTKFYIRSA-N	411.461	5.674	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53364475	LWVZWNZGPFDMKR-DHLKQENFSA-N	404.485	5.461	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@@H]2C=CC[C@@H]21	226811096	AFHGKOQTMJEKQH-UMTXDNHDSA-N	424.544	6.473	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)CCCOCc2ccccc2)cc1Br	384049143	RUOYZNFBFMKXRF-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526171798	KSRQXRQBSLPIKU-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086222	RCCBRNLYARZLAU-QGOAFFKASA-N	400.956	5.346	10	10	HKCE	
CC[C@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	1874153159	LMXWORHZFUSOIQ-SFHVURJKSA-N	404.510	5.610	10	10	HKCE	
CC[C@@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cc(Br)ccc1O	2098269336	QMQSUJPPZGLGOA-UYAOXDASSA-N	417.391	5.249	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2sccc2Br)c(Br)c1	2156988118	BQDQACQKADQYKC-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1F	2293606232	SXAYRIOUUUUYFY-UHFFFAOYSA-N	416.452	5.219	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Cl)c3)SC2=S)c(C)c1	2297500139	MMAMIJUTEYPLNX-UHFFFAOYSA-N	402.972	5.429	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(N2CCCC2)cc1	2318756095	GIZCUXFFYAVRML-UHFFFAOYSA-N	418.946	5.485	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	2318756166	JMWBBKFMNNQEOL-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131361	LOTIDGUXKADWQS-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1	6721740	PJJBDLPWNGRRFT-OFVILXPXSA-N	416.477	5.042	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469634	XBVQSGUNIZXRPB-VVZHRXSXSA-N	412.489	6.309	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477311	CXOCUSGAJRHZEH-LRAJWGHMSA-N	415.364	6.348	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14478646	QECOUYDGQKJWHD-WRALFONMSA-N	422.594	5.386	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21	14547948	GJWINZDCVDKGHM-RXSFTSLZSA-N	416.735	7.332	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	14548387	YJMSLJBCHNFLRA-SPEDKVCISA-N	414.596	5.186	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14550892	RWBGKWLTDAPANR-MZKRTTBSSA-N	417.509	5.438	10	10	HKCE	
O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C1CCCCC1	102985121	CHFPEXYANAGITR-NTEUORMPSA-N	420.909	5.805	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OC(C)C)cc4[C@@H]4C=CC[C@@H]43)ccc21	226684866	GYRTUHKLYZRKCX-LUICLMBMSA-N	422.572	7.428	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226709067	VBSFLPKOHRDGLB-SIFCLUCFSA-N	414.299	5.158	10	10	HKCE	
Cc1cnc(CNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1	243827540	QYEGHNLWLCMSOF-UHFFFAOYSA-N	407.383	5.223	10	10	HKCE	
CC(=O)N(C)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(N=Nc3ccccc3)ccc1O2	254492788	KHEBIMDNTIJHGN-UHFFFAOYSA-N	414.421	6.269	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1ccc(NCc2cc(Br)ccc2O)cc1	702258931	UQRKTPZWEMWZIW-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1C1CCCCCCCCCCC1	1858587436	BMBPVEOAJMRKOV-XSFVSMFZSA-N	423.594	6.839	10	10	HKCE	
CC(=O)Nc1cccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	1860486218	SGQYKCFOLOQYGH-BYYHNAKLSA-N	413.525	5.051	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccc(C)n2)sc(C)c1-c1ccc(Cl)cc1	1865786197	MHGKPAJLWGNATF-UHFFFAOYSA-N	414.914	5.509	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(O)cc2)sc(C)c1-c1ccc(C)c(C)c1	1866093132	SZUMDTHNXMDNAE-UHFFFAOYSA-N	409.507	5.014	10	10	HKCE	
Cc1ccc([C@@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1	1868170631	FXQYIQSHJZSEKR-QFIPXVFZSA-N	411.501	5.539	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2034829425	ZCMKHUAOQKJPMW-KRWDZBQOSA-N	403.408	6.000	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1Br	2079999760	LYNHZWUAYUFPLH-CYBMUJFWSA-N	421.335	5.022	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2095889587	ATEFIZDZYQSMOU-UHFFFAOYSA-N	415.419	6.286	10	10	HKCE	
Cc1ccc(Sc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1	2297303183	NYRRPORIECKVAW-UHFFFAOYSA-N	409.557	6.145	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2321592569	NYJDDSXRGLAJGZ-UHFFFAOYSA-N	422.402	6.742	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1	2321609776	WMQRNCIHBKMGLF-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	2321646817	BBTHTLVQRHZXHG-UHFFFAOYSA-N	418.927	5.777	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	2321698212	NTHFIINWKTXAAJ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332134574	LCKFJPROVFUVOJ-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1	5808396	SOIKWPDSJPABKW-HMMYKYKNSA-N	411.596	5.005	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473222	BKUDZDQAJLFLRS-WHSLLNHNSA-N	400.862	5.100	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710968	AWTSHMXYZGBDHA-LOYIFYEOSA-N	411.545	6.879	10	10	HKCE	
Cc1ccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621425	RUELZKDTCFINRN-OAQYLSRUSA-N	400.438	5.062	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2)N3)CC1	226721357	XJIRHYGOCDVLOP-ZFGGDYGUSA-N	406.957	6.039	10	10	HKCE	
CC[C@H](Nc1cc(F)ccc1Br)c1cc(Br)ccc1O	232237936	GCEVEYIFKOFOAV-ZDUSSCGKSA-N	403.089	5.620	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CCc1ccc(F)cc1	1858591245	GHNCHHPMFCRAPG-MHWRWJLKSA-N	412.338	5.576	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679622	WRIBTNOEEYCXIO-XIEYBQDHSA-N	410.517	6.160	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(F)ccc2N)sc(C)c1-c1ccc(C)c(C)c1	1866122922	QVCZZDIRPSAJBS-UHFFFAOYSA-N	412.486	5.101	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)O2)cc1	2294253429	QKRXJSWJXAPIRP-UHFFFAOYSA-N	405.497	6.288	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC)c1	2297356955	SXZTVKHFHKUFJV-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	2314926472	KBBJQHYFZUBUSR-UHFFFAOYSA-N	405.585	5.402	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1	2321592536	AUQKXQFQZMHEHU-UHFFFAOYSA-N	411.548	5.206	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC	2321708947	VHTSZVVTAZKSDB-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104867	ZNGNFFNTNCZHTQ-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1	2332133321	ZUAAIZJQMFPEBJ-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2332134607	OFALYVFNASBJMR-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
Cc1cc(F)c(Br)cc1NCc1ccc(C)c(Br)c1O	2381136926	KCEGFNZTQIINFB-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466058	GVJNTUJTGYRXFO-GSHUGGBRSA-N	416.974	5.197	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546189	QAFAEUFKMAOPRX-ZYLNGJIFSA-N	416.565	5.926	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551062	BZUHJNLFSSZZLY-QYWGDWMGSA-N	411.889	5.813	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21	20698282	SKJYQIUEEUDETF-ZFGGDYGUSA-N	404.554	5.403	10	10	HKCE	
O=C1N=C(O)/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N1Cc1ccccc1	96475598	IYSHJTHPMZZLBS-QGOAFFKASA-N	410.495	5.207	10	10	HKCE	
Nc1ccc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O	196428170	BFDGONROWBAUDI-UHFFFAOYSA-N	405.457	5.531	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	250502716	IGQNBRGLSNWWNX-DXIQSLLYSA-N	423.297	6.271	10	10	HKCE	
CN(Cc1cccc(NCc2ccc(Br)cc2O)c1)C(=O)OC(C)(C)C	691391773	LRGHPXXKAQKJBM-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(C(F)(F)F)cc1	1083973840	AXIOKZXEKHHZJO-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858588418	DKXHGOONWZNOPD-HABHWSEESA-N	412.407	6.019	10	10	HKCE	
CC1(C)CC(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)CC(C)(C)N1	1858590086	WQXQUPDEDNWISZ-XDHOZWIPSA-N	410.608	5.350	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(CN(CC)CC)cc2)SC1=S	1860073598	WLPLVXZPWZRUJM-RCCKNPSSSA-N	410.608	5.497	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	1860074804	OKFBEJCRVJVVRX-XDHOZWIPSA-N	410.589	5.334	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC	1860076514	GMOYMZDWQQUAMC-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873424479	OIZLYOSTHKZTMI-QGZVFWFLSA-N	413.521	5.085	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(OCc2ccccc2)cc1	1891720035	MPZLLZVIVSDEDY-DHLKQENFSA-N	412.533	5.184	10	10	HKCE	
COc1cccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	2332141744	VLTUNNWRPVQZFY-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Cc1ccc(C(=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	2332148351	PJPQXSJDQHCEAO-UHFFFAOYSA-N	421.496	5.511	10	10	HKCE	
Cc1ccc(CNc2cc(Cl)c(Br)cc2N)c(O)c1Br	2380726167	OGUXQVBPJYGGML-UHFFFAOYSA-N	420.532	5.073	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O	1826557	IGLLTOLXOCIACE-RQGFIEOQSA-N	416.365	5.801	10	10	HKCE	
CC1CCC(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)CC1	6782023	FLADKRIMHXJSEX-UHFFFAOYSA-N	412.577	6.332	10	10	HKCE	
CCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S	40562511	UBGQXEGZMFKARG-AQTBWJFISA-N	411.596	5.001	10	10	HKCE	
Cc1cccc(NC2=NC(=O)/C(=C\c3c(C)nn(-c4ccccc4)c3Cl)S2)c1	96663291	INFJCBGALDZENF-LDADJPATSA-N	408.914	5.225	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2)c1ccccc1	226662992	JUMCYXBVHXPORR-LGVFNWMJSA-N	414.574	6.550	10	10	HKCE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	248079034	UUROGQFMMUTBLH-NHCUHLMSSA-N	416.487	5.458	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1	1858588803	CIXMJNJLUQBSIG-LZYBPNLTSA-N	422.344	5.298	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	1865673580	MREWNLUTXYVKML-PLRJNAJWSA-N	409.533	5.363	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080055091	ZWDZRIGBZITDKB-MRXNPFEDSA-N	412.864	5.363	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](NC(=O)OC(C)(C)C)c1ccco1	2172878919	XWZRJAFWDMFDFD-BDJLRTHQSA-N	415.317	5.036	10	10	HKCE	
CC[C@@H](C)N(C(=O)C=Cc1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329788192	LUVQSVZMFRWLFG-GOSISDBHSA-N	409.485	5.307	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332140014	SEDKIKOFHGUUCG-UHFFFAOYSA-N	423.560	5.905	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2)c1ccccc1	14456229	JUMCYXBVHXPORR-ZFGGDYGUSA-N	414.574	6.550	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466805	FADPLTDBAOGZEB-WZOHSFFVSA-N	414.936	6.443	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2	14473686	BZJUAIIRANBGNU-XLNZFTOWSA-N	418.518	5.020	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1Cl	14477161	QRLXZMYXDGTESD-DSFVOBFGSA-N	416.348	6.378	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14479944	IHXLCIIIZWCPTE-FBLLAGFSSA-N	422.594	5.386	10	10	HKCE	
Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3O)CC2)cc1	34683319	HAOOXKXGSKWIJC-UHFFFAOYSA-N	400.522	5.012	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1	36347392	BWPVJELHAPNDQG-QFIPXVFZSA-N	400.444	5.516	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1	96505130	JGBYYALRORCQHZ-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1Cl	103310433	DEIJZVWFYRMEHC-WCTLISOUSA-N	400.956	5.475	10	10	HKCE	
CN1CCCc2cc(CNc3cc(Br)ccc3Br)ccc21	109890838	OOYOJMVPMMZPQJ-UHFFFAOYSA-N	410.153	5.206	10	10	HKCE	
CCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3cccc(C)c3)cc2)cc1	254827213	LKTKTYMFVIZISR-UHFFFAOYSA-N	402.494	7.199	10	10	HKCE	
O=[N+]([O-])c1c(NC[C@@H]2CCCO2)ncnc1Nc1ccc(N=Nc2ccccc2)cc1	256018236	COYHTKWJVOHATG-SFHVURJKSA-N	419.445	5.135	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	385436254	AURIWAAUEIKSFW-KRWDZBQOSA-N	415.419	6.142	10	10	HKCE	
COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(O)c2N=Nc2ccc(C)cc2)cc1	1081014298	AUVADICCOCFXQS-UHFFFAOYSA-N	414.461	6.515	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)cc1Br	1915365009	QWCFWWOLBAJTSX-OAHLLOKOSA-N	401.373	5.737	10	10	HKCE	
COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080056414	SXHGNACCRRCPNC-HNNXBMFYSA-N	400.853	5.219	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S	2296910980	XHRTUYJIGISFHW-UHFFFAOYSA-N	408.342	5.319	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321635285	DWFDATVBAIBPPO-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1	2321698402	HWYGQUMEHWALRV-UHFFFAOYSA-N	413.564	5.757	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	2321702499	JPUSXQLOCWTFEL-UHFFFAOYSA-N	414.508	5.035	10	10	HKCE	
CCN(CCOC(=O)c1ccccc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	5139585	HFAUUNNJWQYWET-OCOZRVBESA-N	418.453	5.694	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467608	YNXAMIFHSZFXJY-IAMHBRQHSA-N	417.336	5.665	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1	14475546	BXUUDLPFIBXYFT-ZEVJAHDQSA-N	410.517	5.139	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476448	KVKAAEORUYBRCM-XFAGBWLFSA-N	416.452	6.139	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20678933	TWFRYMQQGHERIB-OASJLCFRSA-N	403.566	6.871	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(SC)cc1)[C@@H]1CC=C[C@@H]21	20759417	SJEARSDUOATMNR-WOIUINJBSA-N	408.567	5.001	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	1858587506	HEPFTMWSVJXYFY-MHWRWJLKSA-N	404.354	5.159	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	1860085926	VJXKLTLGCMONSH-CJLVFECKSA-N	419.571	6.425	10	10	HKCE	
CCCCCCOc1ccc(/N=N/N(Cc2ccccc2)Cc2ccccc2)cc1	1860486797	FMPKKVGRYAYODN-BYYHNAKLSA-N	401.554	7.347	10	10	HKCE	
CCCC[C@H](CC)CC(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC	1866106670	CJJSAADVNKLIFO-SFHVURJKSA-N	415.599	6.672	10	10	HKCE	
CCCOc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1	1872740033	RMSDUDIYVDRFEU-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915513792	XUGLTCLFLMUDIC-MAUKXSAKSA-N	403.364	5.043	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(Br)c1	2095877589	NLWRWCDSBFHEMD-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C	2313681368	CMYJDFHNVITWMH-UHFFFAOYSA-N	412.877	5.445	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323850723	FGKSXLUPCNVUFL-ZDUSSCGKSA-N	402.412	6.554	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1	2332140734	GFOBLJNTHBIJHO-UHFFFAOYSA-N	412.333	5.358	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc2ccccc2oc1=O	3194869	WHUJYSKUAZKYSF-RUZDIDTESA-N	421.452	5.171	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1	6971271	TVJLOTKNPXJXGH-PRXAMGSTSA-N	405.679	5.837	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	14460902	XQCDBINUBYEAEZ-DINDLPBHSA-N	405.223	5.029	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463013	GRLPFYJDHIHMFO-HFMPRLQTSA-N	402.538	5.109	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14544801	GMSKQEITZNDWNU-WLENULPWSA-N	421.566	5.071	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@@H]21	14546372	WWCZVWADQGGPJH-OHUGHZGNSA-N	402.538	5.394	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550380	KYZRZPJRPOAGSJ-HFMPRLQTSA-N	402.538	5.538	10	10	HKCE	
CCCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S	34982545	NNOBCLOXYARLDF-QGOAFFKASA-N	415.536	5.125	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226870051	MKIBXXVFAGCGEE-DXBVXKBHSA-N	424.544	6.188	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	249847535	WIELDVWTCBABHY-PLXFJCCSSA-N	417.597	5.841	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	251336644	JQGRMXPUZQUUCM-ZGTFLMELSA-N	412.533	5.900	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O	1858591696	VZUQWJVPUAMMBD-VIZOYTHASA-N	419.984	5.067	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1860073625	YUTFPIMBRKTICC-CXUHLZMHSA-N	422.344	5.556	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	1860084018	KYZJLCNLVXWJBI-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865673048	RTTZJUVDNKDILU-RGEXLXHISA-N	401.432	5.190	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2034781345	FVAVORLHHOWSGX-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C=O)c2Br)C(C)(C)C)cc1C	2080002968	GDFPYDUBROOBSC-SFHVURJKSA-N	419.363	5.468	10	10	HKCE	
Oc1cc(Br)ccc1CNc1ccc(Br)c(Cl)c1F	2092326180	IDKUCYFCLMNHAC-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cc(F)cc(Br)c1NCc1cc(Cl)cc(Br)c1O	2240157233	QVOHGASLKJPUDG-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccc(N(C)C)cc1	2313504777	UZGVMJTZLSHECX-CJFMBICVSA-N	411.549	5.744	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	2313609000	COACCSRBNVFIOU-UHFFFAOYSA-N	406.507	5.975	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccccc2C)C1=O	2314836431	FGBGYBBVNGVORW-KRWDZBQOSA-N	422.575	5.170	10	10	HKCE	
Cc1ccc(CCOc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1	2331594894	OOJQCNFPFMBTHQ-UHFFFAOYSA-N	411.592	5.474	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332100220	WZVRZTIERIFOIN-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
Oc1c(-c2cccc(Br)c2)c2nc3ccccc3nc2c2ccccc12	6475067	FSLLPEWYCRWIAR-UHFFFAOYSA-N	401.263	6.071	10	10	HKCE	
Cc1ccc(C)c(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	6738030	MDLXGNBGZHDGKW-UHFFFAOYSA-N	409.489	6.000	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2)N1CCCCCC1	14460666	RTHGAVSKAPUXQI-AWRGLXIESA-N	406.957	6.183	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543357	ROWLINWKRDDIEJ-HWBMXIPRSA-N	416.565	5.928	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549499	JIAFZMKDIOGCBV-NDDXJGTKSA-N	418.540	7.168	10	10	HKCE	
COc1ccc(OC)c(-c2ccc(O)c(CNCc3ccccc3C(F)(F)F)c2)c1	15069906	PLJJRADWWQUESM-UHFFFAOYSA-N	417.427	5.385	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764050	ASYANBUBEYKZPT-REWPJTCUSA-N	410.876	5.416	10	10	HKCE	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1	33334919	YXNCCBARFBXSBO-FQUVMOJISA-N	422.575	5.171	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Br)cc1	105413623	CDVLKARBYIWFIF-MHWRWJLKSA-N	420.104	5.018	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	251320934	GTFSXTJKNIFVPV-XYHOUYMGSA-N	416.974	5.243	10	10	HKCE	
O=C1/C(=C/C=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1	1084423762	HFKGZBKHFPLQCU-SNZVCCRLSA-N	402.884	5.210	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O	1860086241	SEOODVJKWKZCKO-VCHYOVAHSA-N	421.572	5.572	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656598	NEAZZZIZLVQHIR-PXLXIMEGSA-N	402.881	5.179	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2c(OC)ccc3ccccc23)cc1	1865667409	VJKRUHBBFICEMP-HZHRSRAPSA-N	414.505	5.143	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)c1	1872866732	XEBYWNADFLMGRC-UHFFFAOYSA-N	414.427	5.603	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1C	1874127040	QCJIXYUSRSBETJ-UHFFFAOYSA-N	403.526	5.345	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)c(Cl)c1	1891383092	AXFCWDFMRDDTBB-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
C[C@@H]1[C@H](Nc2c(N)cccc2Br)CC(C)(C)CN1Cc1ccccc1	1916232930	CZAIMJXGQNULBX-DNVCBOLYSA-N	402.380	5.132	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2095945312	OQXJEXZUSXDWTH-GOSISDBHSA-N	419.407	5.236	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1cc(Br)cs1)c1cc(Br)ccc1O	2177666781	ZOBYJLRFZJOZDW-TVQRCGJNSA-N	419.182	5.781	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103906	GQLCZVQPBFWNLR-UHFFFAOYSA-N	414.119	6.102	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332119278	VULJUMQBEVLWKT-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	13634807	CKNWVHCRDLOQQJ-TXPKVOOTSA-N	403.263	5.126	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14465479	CBJWBGGBWGQYFC-JCYRPKCISA-N	415.964	7.178	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468685	QYMOPENFKQNVJF-PJSUUKDQSA-N	404.293	5.754	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476605	VPSAIRMFWCEZLE-LZCXECNNSA-N	424.544	5.794	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1	39436289	OYQSAWZINGOLTK-JYBIWHBTSA-N	402.925	5.745	10	10	HKCE	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1C	208500975	ZXLGYMYLFFZNQS-STZFKDTASA-N	401.535	5.793	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	249851325	XZWGDOWADXNFHI-PLXFJCCSSA-N	406.570	5.775	10	10	HKCE	
Cc1c(NCc2cccc(Br)c2O)cccc1NC(=O)OC(C)(C)C	702722510	MKBLUTPFKYVDGP-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
COc1ccc(CC(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084611735	QGNZYEYFKSHVSZ-UHFFFAOYSA-N	404.495	5.166	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	1860085002	FHNCPIOQPWTENL-FYJGNVAPSA-N	405.544	6.075	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	1860087380	TVZTYINCTUHAMB-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
Cc1cccc(N2CCN(/N=N/c3ccc(OCc4ccccc4)cc3)CC2)c1C	1860485746	WJEDPOWXFLFTIK-CYYJNZCTSA-N	400.526	5.703	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665890	QZFZGWNYOXLNLQ-LICLKQGHSA-N	407.728	6.229	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	1865668803	QBXQHOIWPKLUQO-QJOMJCCJSA-N	414.480	5.445	10	10	HKCE	
CCCN1N=C(CC)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	1865674150	PRMQZCWXJRMACE-XDHOZWIPSA-N	417.336	5.974	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676684	KWTLTJAJIGCMRF-WGOQTCKBSA-N	410.517	5.684	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079022269	LRLYWPWYLRFFFU-QGZVFWFLSA-N	405.336	5.159	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(CN)c2Br)cc1C	2079986127	RLDSGGIERFKAJA-FQEVSTJZSA-N	418.379	5.084	10	10	HKCE	
CCCN[C@H](CCCNC(=O)OCc1ccccc1)c1ccc(N(CC)CC)cc1	2236025404	WVXQDIDJNAEFEB-XMMPIXPASA-N	411.590	5.280	10	10	HKCE	
Cc1c(C=Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc2n1C	2296662140	BUOAQQQNIHWMLZ-UHFFFAOYSA-N	405.501	5.415	10	10	HKCE	
CCOc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)NC3=O)cc2c1	2297501299	RCEHIUCVDQBGOH-UHFFFAOYSA-N	424.572	5.274	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N([C@@H](C)c3ccccc3)C1=O)=C2	2314450780	RPWSZHUHRSTSGH-LSDHHAIUSA-N	423.559	5.365	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1	2318755928	CNELLXDHSKKRAO-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	2332104986	LRVZIWUXINNXNP-UHFFFAOYSA-N	404.872	5.618	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13638613	CLOCEHIBLPFJOB-UEXGIBASSA-N	412.327	5.842	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458538	NZVQHNPIDDLHCY-PPJWLVRDSA-N	408.545	6.094	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549326	FGUQIAYQUVLUQJ-VOKYQHOCSA-N	419.568	7.998	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1	14553695	JCOQWWCACTYOLS-UMFSSWHCSA-N	410.517	6.082	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717653	ROWLINWKRDDIEJ-RQTOMXEWSA-N	416.565	5.928	10	10	HKCE	
CCCCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	34981503	MERSFCSQZBABSX-QEQIRTOISA-N	421.587	6.138	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3Cl)c3ccccc3)c(O)c2n1	54621894	RAZFVDFJEQMDPB-NRFANRHFSA-N	409.316	6.757	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1	59230098	YFFUNDMSGGKVTR-STZFKDTASA-N	423.299	5.837	10	10	HKCE	
COc1cc([C@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]23)cc(Br)c1OC	59267057	OSSFWALRIZNRFB-FHSNZYRGSA-N	404.279	5.432	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S	210228226	MEDNUVAZCLEXPK-HLXKFHDQSA-N	415.923	5.002	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226705761	IFLKRTXWBGMSOM-XFQAVAEZSA-N	400.316	5.768	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526320331	MPXFNXIMUMLQQX-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858588417	DKXHGOONWZNOPD-CQDHCHSDSA-N	412.407	6.019	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3cccc(C(F)(F)F)c3)cc2)c1	1872865833	PAYRGFURVUYSKZ-UHFFFAOYSA-N	414.427	5.603	10	10	HKCE	
CC1(c2nn(Cc3cccc(C(F)(F)F)c3O)c(Br)c2C2CC2)CC1	2079773840	QTLJFBYOZPIGHQ-UHFFFAOYSA-N	415.253	5.347	10	10	HKCE	
COc1ccc(Br)c(CNc2ccccc2OCc2ccccc2)c1O	2227749670	VIRBHVWRSKYTPE-UHFFFAOYSA-N	414.299	5.354	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3ccccc3)o2)C(=S)N1Cc1ccc(Cl)cc1	2314488330	NMBSUTPXECNVND-UHFFFAOYSA-N	411.935	6.637	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)ccc1[N+](=O)[O-]	2318753301	AMLDQTPZTFEHHP-UHFFFAOYSA-N	406.488	5.462	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1	2332099993	ZUJLEZPEZIDEPY-UHFFFAOYSA-N	402.416	5.341	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)ccc1O	14459386	ZTPBOFVZXKQNEK-FHAGJXEFSA-N	418.537	5.099	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	14461001	AWBPOTGKIJPWQK-PSVSLLHZSA-N	411.126	6.288	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462371	ICGOVVJSQCOORU-HWBMXIPRSA-N	403.570	5.499	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475585	IRYTUMOSWNZBML-UMFSSWHCSA-N	412.533	5.433	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476318	NHBQZWSNVHRRKJ-UAABGXCFSA-N	424.588	6.938	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1	14478349	VJQARFWVRGZZSM-YDIMBITNSA-N	417.509	5.293	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548288	JNSAZSCBQBWQFO-YZIHRLCOSA-N	412.533	5.902	10	10	HKCE	
Cc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccccc2)C1=O	15043726	PXBUZZGZPKBYOJ-SILNSSARSA-N	424.591	5.395	10	10	HKCE	
Cc1c(/C=C\c2nc3ccccc3c(=O)n2C)c2ccccc2n1Cc1ccccc1	34877615	UIGOFVOJANIDSN-MSUUIHNZSA-N	405.501	5.415	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)cc1OC	39870222	QHLWOQPJKWNTRC-QNGOZBTKSA-N	410.539	5.519	10	10	HKCE	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)cc2)c1C	101664979	LYTCSWYRUMXOBD-OEAKJJBVSA-N	420.553	5.121	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(O)c1)N2	226686769	IKBYAISAGSMLST-UMEGOILYSA-N	420.553	5.490	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(SC)cc1)N2	226785970	UCLLKRXRFRDAAH-HYFFOGBASA-N	412.986	6.627	10	10	HKCE	
CC[C@@H](Nc1cnc(Br)c(C)c1)c1cc(Br)ccc1O	233899756	UIWRUKYGDBCZGG-CYBMUJFWSA-N	400.114	5.184	10	10	HKCE	
Cc1cccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1Cl	1615730897	DDIVYVJIBNXLON-UHFFFAOYSA-N	415.345	6.342	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087382	TWWVQZAWVIPCQB-CXUHLZMHSA-N	404.438	5.593	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N4C[C@@H](C)C[C@H](C)C4)ccc3[nH]2)cc1	1873509082	WFTDWWCRGMUCLJ-ROUUACIJSA-N	404.558	5.194	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)c(Cl)cc1Cl	1892110644	YGBINQVOHKIOJE-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1	1915484631	ISCMMBFQUWKZGM-QGZVFWFLSA-N	419.407	5.551	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2296740182	JJXIWAXFVWSYMY-UHFFFAOYSA-N	401.422	5.278	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)c1OCc1ccccc1	2296909433	VCSSXVOPQXCETK-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccc(F)cc1	2313502182	ZBDUPJSCCGZZAZ-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
Cc1ccc(CN[C@@H]2CCCC[C@@H]2OCc2ccccc2)c(O)c1Br	2327799516	WMUARVJEFXSYPQ-MOPGFXCFSA-N	404.348	5.081	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113721	APLYFCIDWZMKNL-UHFFFAOYSA-N	406.485	6.198	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)C1=Cc1cccc(OC)c1OCc1cccc(C)c1	2332134298	HJFXCMZNZXNWCC-UHFFFAOYSA-N	406.526	5.230	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21	59462432	DHHPXZADNWDBKI-NBMJBFSESA-N	402.925	5.745	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(SCc3ccccc3)o2)SC1=S	96482045	UCSJMYSDBWKEPC-CPNJWEJPSA-N	423.584	6.286	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1O	226712691	ZKZIDJDQPNWSLI-IEGUWTFLSA-N	418.537	5.290	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829393	WJSPCZYXRQKINT-JLHGSKIFSA-N	415.364	6.350	10	10	HKCE	
CC[C@H](N[C@H](CN(C)Cc1ccccc1)C(C)C)c1cc(Br)ccc1O	398017075	HSCMJIDXVFBPRD-LEWJYISDSA-N	419.407	5.352	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	1084352369	CFICJIJHFRZIQR-KRWDZBQOSA-N	415.559	5.886	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OCC)c3O)SC2=S)cc1	1860076563	KIRNQSKYTBIWLM-XMHGGMMESA-N	413.564	5.539	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(-c2ccc(Cl)cc2)cc1	1892055377	UKZDURGONWDATP-UHFFFAOYSA-N	416.911	5.524	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915451452	UVHULLMOPVFSJT-CRAIPNDOSA-N	404.348	5.077	10	10	HKCE	
CC(C)(C)OC(=O)N(CCC[C@@H](N)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1999539043	WTABJWVAGJJXBX-XMMPIXPASA-N	423.601	5.504	10	10	HKCE	
O=[N+]([O-])c1cc(C=Cc2nc(-c3ccc(F)cc3)cs2)ccc1N1CCCCC1	2053514191	GSSOYIDGYDGIDF-UHFFFAOYSA-N	409.486	6.018	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2ncc(-c3ccccc3)c2I)cc1C	2070259900	OFMOKVDKBDPWBR-AWEZNQCLSA-N	418.278	5.086	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)F)c1Br	2079032074	WQZOUOJDGKTFTE-UHFFFAOYSA-N	413.184	5.479	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	2231479290	ZEFWHSSYXMAPKW-QZTJIDSGSA-N	415.419	6.142	10	10	HKCE	
CC(C)(C)c1ccc(OCc2ccc(Br)cc2)c(/N=N/c2ccccc2)c1	2295356161	QJSLISFUOFEODW-OCEACIFDSA-N	423.354	7.741	10	10	HKCE	
O=C1Nc2ccccc2C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12	2297319040	XYHPRDFBLAXXBN-UHFFFAOYSA-N	414.892	5.866	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1	2313521633	LSLLEGPWYVWHIX-UHFFFAOYSA-N	416.550	5.462	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	2313610529	YOQQZUUESHSSCB-UHFFFAOYSA-N	414.508	5.180	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccccc3C(C)C)C1=O)cn2C	2321666839	PMCZTKGMEHWCOL-UHFFFAOYSA-N	422.575	5.716	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)cccc1OC	2332117542	SJPAEXBQOHCAMH-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc1	2332122312	PPNNSMKLPZHPLX-UHFFFAOYSA-N	410.517	5.532	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3ccc4ccccc4c3)[C@H]2C1	14475477	ZASLGYURTHHENS-PNIUZAESSA-N	403.525	7.245	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543871	MKIBXXVFAGCGEE-NLJOTIRTSA-N	424.544	6.188	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@H]2CC=C[C@@H]32)cc1	20714486	YVXFIZXLGVMSSB-MVERNJQCSA-N	424.544	6.473	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363163	FXQOWOXUZXYGTJ-ILBGXUMGSA-N	420.940	5.839	10	10	HKCE	
COc1cccc(/C=C\C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c1OC	102416662	WIXGXHLZRURSCC-ZFWUBWCPSA-N	424.500	5.594	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226714911	SIWTVQCLZFTVHX-DJPHASSASA-N	414.343	6.159	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)OC)cccc4[C@@H]4C=CC[C@@H]43)ccc21	226780572	NYQDEJGXFPHNRP-FXABVQRQSA-N	422.528	6.428	10	10	HKCE	
COc1ccc(CNc2c(Br)cc(Cl)cc2Br)c(O)c1	379678247	QNUIBBGKKKNVTA-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385533894	ARQLETGLQPIYBG-ZWKOTPCHSA-N	415.419	6.315	10	10	HKCE	
CC[n+]1c(/C=C2/C=Cc3ccccc3N2C)sc2c(Br)c(C)ccc21	1614362594	UNJCULZHBISYFI-UHFFFAOYSA-N	412.376	5.784	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(Cc4ccc(Cl)cc4)C3=O)c2c1	1858590808	JZYRAAPITUAKKD-QGMBQPNBSA-N	414.939	5.231	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2c(ccc3ccccc32)o1	1859707132	IXIQDLFTYLZWEB-UHFFFAOYSA-N	417.420	5.614	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675848	CRBVLKDGMCGZGS-PCLIKHOPSA-N	424.500	5.324	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678890	JPXUADSMUMWHCJ-JJIBRWJFSA-N	422.459	5.822	10	10	HKCE	
C[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	1868176367	RITRJUCAGXLYCH-CQSZACIVSA-N	403.865	5.248	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(Br)c1	1915409815	HPMVZUHQDCUYMR-ZWKOTPCHSA-N	419.407	5.287	10	10	HKCE	
CC(C)(C)OC(=O)N1[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CCC12CCC2	2233908632	VWSFNNVGKJTXOK-OAHLLOKOSA-N	415.361	5.111	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323680451	DKXHGOONWZNOPD-OWTLIXCDSA-N	412.407	6.019	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2cccc(F)c2)cc1	2332140788	JYDVPVAPIQQCFH-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
Cc1cc(Br)c(O)c(/N=N/c2ccc(Br)c(Cl)c2)c1	6474849	MDUUDLRDGQNHBT-ISLYRVAYSA-N	404.489	6.294	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CC[C@@H](C)C2	8323757	GAMCPJLYXMHYNQ-MRXNPFEDSA-N	421.566	5.531	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476283	WVRAUBKLINCTJG-BCQCSXDESA-N	410.517	6.051	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543326	LMZZFNIEIQKSLT-AWRGLXIESA-N	402.538	5.538	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	14547052	SULXPSXJUCVIIB-PONJGIIJSA-N	413.348	6.056	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14551791	FKVZBUKHEZHWCR-TXPKVOOTSA-N	419.331	5.840	10	10	HKCE	
Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC1c2ccccc2-c2ccccc21	14981762	NCYYLQSNIVDLRZ-UHFFFAOYSA-N	407.469	5.648	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccnc2)[C@H]2CC=C[C@@H]32)cc1	20751017	HGNNSUOJJXSWSL-ZFGGDYGUSA-N	411.505	5.559	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363615	LQLDRLSXCPUIGT-URXFXBBRSA-N	406.913	5.585	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)c1ccccc1	226829426	BLPWFWIWFNVEFA-CERRFVOPSA-N	416.524	6.919	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1C	526221597	IZUYRKQFWKQOHL-QFIPXVFZSA-N	404.535	5.488	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860084410	WOBQASBAADNVNA-WOJGMQOQSA-N	412.536	5.607	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	1860084736	GRKDOXZMRNRZEA-MHWRWJLKSA-N	404.900	5.216	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCC)cc1	1865669485	LODOFHSGWJWGLI-XMHGGMMESA-N	413.315	5.434	10	10	HKCE	
CC[C@H](N[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)c1cc(Br)ccc1O	2100144654	CDBHKPMBXBLYBN-QKNQBKEWSA-N	418.375	5.579	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4)C3=S)o2)cc1	2314487268	HKERTOIVAGWYCY-UHFFFAOYSA-N	421.499	5.682	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	2318684304	YSQZVJRMHCERQF-UHFFFAOYSA-N	415.668	7.124	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321607264	JLHXGPROXINUNL-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1cc(Cl)ccc1Cl	2321647112	SFHIZPVRGNMQHA-UHFFFAOYSA-N	424.330	5.170	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4cccc(O)c4)SC3=S)cc2)CC1	2321683292	JXNBHDFAHYHNGP-UHFFFAOYSA-N	410.564	5.034	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099410	RUKASYATPAGRIQ-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(CC)cc1	2332139461	IUXPWPZTEUDKSX-UHFFFAOYSA-N	401.337	6.138	10	10	HKCE	
CC(=Cc1ccccc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	2332149769	KNNGTRKCZQMRSD-UHFFFAOYSA-N	401.849	5.157	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCCCc2ccccc2)cc1	6418106	SWNSIDBQGUKZBL-UHFFFAOYSA-N	403.570	5.432	10	10	HKCE	
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14004299	QDFAOSDWQJFIDZ-OCEACIFDSA-N	408.914	5.811	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547062	SRISMDXKOXIWMI-VFCRVFHLSA-N	415.364	6.348	10	10	HKCE	
CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	33562224	PYMKQLKALAPBQE-HMMYKYKNSA-N	419.575	5.541	10	10	HKCE	
CN(C)c1ccc(/C=C\C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1	35385777	YJXSVVJXMDQNKF-ZMLCQSFJSA-N	410.565	5.839	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc([N+](=O)[O-])cc3C)c3ccncc3)c(O)c2n1	54621800	XWRYHGXELAXESU-OAQYLSRUSA-N	400.438	5.062	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2	226666231	AXEGJRCFYVLTHN-JQYIIUTOSA-N	417.597	5.841	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2	380520594	BNDLDULNFGNSLK-XMSQKQJNSA-N	405.369	5.091	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911282	VWNZHNZSZRQYPE-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1Cl	1860086548	POOODKHSBJDJEP-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	1865664685	KHRXSOPVYVRCCU-QPEQYQDCSA-N	417.189	5.477	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676993	QDAKTJQDRFUHRJ-KPKJPENVSA-N	424.671	5.751	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865677173	WIOMMTSGLHENMT-ZHZULCJRSA-N	417.852	5.078	10	10	HKCE	
COCCCCN(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2095869699	FZZGYFDTMOFFOZ-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1Sc1ccccc1	2313682232	YFDTXJKCFGTSPF-UHFFFAOYSA-N	417.509	6.086	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cc1	2332114679	DTWDGTXGIYEVAA-UHFFFAOYSA-N	418.415	5.223	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332140156	GOXJDGKQMPVYMQ-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140923	WQGYVJBHUYFUCC-UHFFFAOYSA-N	406.835	5.941	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cccc(OC)c2)cc1	2332141683	PTUQGJGEODOLQM-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)n1-c1ccccc1	6129786	MZSRYUHEBWMGOO-UHFFFAOYSA-N	420.513	5.004	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14462014	GBHQWQRRVLANQX-LUFNOOMBSA-N	418.581	5.917	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C1	14469390	XLOSPAOVRBRTLG-REUBFRLUSA-N	403.525	7.245	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2\Sc3sc4ccccc4c3N2CC)SC1=S	19894216	LJZQPAITQHHMFH-FOIMCPNXSA-N	404.607	5.439	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@@H]21	20702829	LHKCHWUSMJBSJF-YDIMBITNSA-N	407.510	5.626	10	10	HKCE	
CN1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S	33567726	IUQVEXCTYHMHFS-QPEQYQDCSA-N	403.834	5.450	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2	251152979	IFIRIUZPSXXDSH-VIZSFHNOSA-N	400.547	6.444	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	1615944619	QXXDPSAUDVSYFO-OCEACIFDSA-N	418.840	7.266	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1	1860085264	ZUOMVXDOANCIDC-MHWRWJLKSA-N	422.344	5.556	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc(F)cc1F	1860087465	ZVCZWCYVVRCZIX-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
FC(F)(F)c1cc(NN=NC2CCCCCCCCCCC2)cc(C(F)(F)F)c1	1860489109	YDMSUMJAKMJUAL-UHFFFAOYSA-N	423.445	8.177	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)C)cc1	1865664531	RCARMZKTYOFSJN-XDHOZWIPSA-N	415.364	6.699	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679338	ICJBVCXUEOGVCP-HZHRSRAPSA-N	402.881	5.725	10	10	HKCE	
Cc1cc(OCCCC(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc(C)c1Cl	1865936191	XXQVBLOGMSAQOQ-UHFFFAOYSA-N	424.928	6.129	10	10	HKCE	
CN[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	1999537588	BBSJDUBZNNOHRS-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](CC)c2ccc(C)cc2O)c1Br	2079003548	BRKDZNFPRSJWIT-OAHLLOKOSA-N	421.335	5.103	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl	2080023669	YWGJCIRUMPWMFI-IBGZPJMESA-N	418.921	5.084	10	10	HKCE	
CCCN[C@H](CCCNC(=O)OCc1ccccc1)c1ccc(N2CCCC2)cc1	2236025696	YKBYFGZDMZPTSR-XMMPIXPASA-N	409.574	5.034	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2296750495	TYTIMMUAVGJHDR-UHFFFAOYSA-N	400.865	5.377	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1	2297578576	ALGQCFUDXBNXQW-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N([C@H](C)c3ccccc3)C1=O)=C2	2314450779	RPWSZHUHRSTSGH-HUUCEWRRSA-N	423.559	5.365	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	2321638326	UOKHILBDRYLGMQ-UHFFFAOYSA-N	418.927	5.777	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1F	2332129701	DJONUPOPKDKMSA-UHFFFAOYSA-N	421.697	5.433	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	2332148846	KXDRUKVEYWPJGD-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729504	QYDVTZOFYGNQOR-CTNGQTDRSA-N	401.348	5.367	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635690	FAYSCGOUXOOHSD-IMSXRSKXSA-N	402.538	5.538	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456905	QCBFEJJPBXXSJE-ISJBWFOZSA-N	414.574	6.454	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457366	ONFSVVBVSMAHMV-BCQCSXDESA-N	413.517	5.849	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1O	14460035	YCGYYEVSKMXPHT-AXHZCLLHSA-N	418.537	5.099	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462978	GYOJUPZGYMHABF-CLCZQPDDSA-N	422.572	6.567	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463011	GRLPFYJDHIHMFO-AWRGLXIESA-N	402.538	5.109	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463075	FFIGILPOGBWXLG-JCYRPKCISA-N	414.593	6.653	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469281	IOIBVUREWRIWRN-RRQZXNHTSA-N	420.509	5.186	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1Cl	14477221	RKWOZBBYYWGFQF-RHGYRFJNSA-N	422.355	7.399	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14552305	LQXNSKYZNIYUML-IKQBDLNTSA-N	420.578	5.144	10	10	HKCE	
COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	20071230	LPGAGUCQEXUGTO-AUSIDOKSSA-N	422.868	5.002	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccc(OC)c(COc3cccc(Cl)c3)c2)SC1=S	20608721	HYXBFRUMCQHPFR-VCHYOVAHSA-N	419.955	5.149	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	59397125	TYAOZKMLWXAVAR-NWFCWYBLSA-N	401.384	5.464	10	10	HKCE	
CC[C@@H](Nc1cc(Br)ccc1OC)c1cc(Br)ccc1O	109934263	IESLGYNUBNUMLG-CYBMUJFWSA-N	415.125	5.489	10	10	HKCE	
Cc1ccccc1NC(=O)CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	210667664	SOHVCDFUDJRHAC-CPNJWEJPSA-N	424.591	5.132	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226743038	FBPWHJNZTWYFNI-XCGNWRKASA-N	411.889	5.813	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	250798340	CIBZGPSMXNRKIV-DPLHUUCSSA-N	402.519	5.314	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1	303434130	VJRNRNJMCGKKPG-UHFFFAOYSA-N	412.499	6.410	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc1OC	1865669659	UNEWFQYQKQNAOT-LTGZKZEYSA-N	406.526	5.456	10	10	HKCE	
CCOc1c(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CC)cccc1OC	1865669958	AJSWLUQPPALNDE-CAPFRKAQSA-N	400.478	5.443	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865674091	NQVLZFCVMDSZCM-HZHRSRAPSA-N	416.908	6.034	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1	2053466519	VMIZGINWEPRAQW-UHFFFAOYSA-N	408.461	5.247	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CC3)c(C=O)c2Br)C2(C)CC2)cc1C	2079979010	KCGXRMKSNMJYMV-SFHVURJKSA-N	403.320	5.047	10	10	HKCE	
Cc1cccc(CN(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1Br	2117994638	FSCKZFBNSXUCPF-UHFFFAOYSA-N	419.363	5.419	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1ccc([C@@H](C)O)cc1Br	2186636635	MRFIVQIPTPLINV-VHSXEESVSA-N	419.182	5.524	10	10	HKCE	
Cc1cc(CNCc2cc(Cl)cc(Br)c2O)ccc1Br	2289475307	LVUYGQBHWOSFQW-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2C)SC1=S	2314433912	XGKSSEYEUKNGGE-HOTGVXAUSA-N	401.597	5.812	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	2321586478	DZTYGCZDUCAIGQ-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=S	2323852169	MYKKUNARYVEOTJ-GOSISDBHSA-N	404.645	6.093	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	2332119606	VCCCVWAWGBJJAF-UHFFFAOYSA-N	424.422	5.977	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(Cl)c(Cl)c2)c1	5839051	YMDPCKUPWYKLIC-QZQOTICOSA-N	402.119	7.174	10	10	HKCE	
CSc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)s1	5872647	MNZQMFMVTMFQSR-UHFFFAOYSA-N	407.561	5.090	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639243	CBIPDGRRENUFQU-UEXGIBASSA-N	414.343	5.691	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14545528	HWHAOEJDBXNOLF-UZINWLIJSA-N	424.544	5.842	10	10	HKCE	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C\c1ccc(N(C)C)cc1	33247773	NPCVYDJMTFYRML-QINSGFPZSA-N	420.534	5.310	10	10	HKCE	
O=C1/C(=C/C=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1	33423885	CMSQBTLPQDJVAX-XWSNBJDESA-N	416.365	5.407	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1CCCc1ccccc1	33740795	LHOQNSPNKOCZFB-LFIBNONCSA-N	424.374	5.533	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226906373	YJMSLJBCHNFLRA-FGSXEWAUSA-N	414.596	5.186	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860074984	CSATVIJDUCIWIN-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c(C)c1	1860084795	LVDWYLMDEOEEJF-VGOFMYFVSA-N	419.984	5.380	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)CC2CCCC2)ccc1CNC1CC1	2095836832	PTFUMKFJCWQRKA-UHFFFAOYSA-N	413.403	5.898	10	10	HKCE	
CC[C@H](NC[C@@](C)(CC)N(C)Cc1ccccc1)c1cc(Br)ccc1O	2098945571	GNGISPGCUYBRQM-RBBKRZOGSA-N	419.407	5.496	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)SC1=S	2296537401	JHJXSVIANBBHLL-UHFFFAOYSA-N	408.342	5.320	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2321638201	OXCLSPBBXVARRO-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1C1CCCCCCCCCCC1	2323743495	BMBPVEOAJMRKOV-UHFFFAOYSA-N	423.594	6.839	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccco2)sc(C)c1-c1ccc(Cl)cc1	2326863049	JMIVBVOGFLOLKY-UHFFFAOYSA-N	415.898	5.799	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099468	XXJCEQKKXUFEHM-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1	2332105081	WDUFHNLRPVTZCE-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141615	KSBPRIGNNSTEGD-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
Cc1ccc(CNc2c(F)cc(F)cc2Br)c(O)c1Br	2380803045	CBDCQUAPQWZJDR-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Cc1cc(C)cc(NC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1	5695921	JNYMIGKOGRELOP-LPYMAVHISA-N	419.525	5.932	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14462168	XNKRXNCWSOATAO-SGIRGMQISA-N	417.597	5.889	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466791	XFTQZFOZWBOLQU-YDIMBITNSA-N	423.988	5.238	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546899	WEFHMHJRRDYXCR-SEPYTNNBSA-N	402.365	7.245	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2	14552375	IFIRIUZPSXXDSH-TXTKFYIRSA-N	400.547	6.444	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21)C1CCCCC1	20700508	OUANEEOYRIOZGH-IMWIBFENSA-N	420.984	6.571	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754498	KUVKBCDMDUBNNR-OTNCWRBYSA-N	412.508	5.924	10	10	HKCE	
COc1ccc(C2=N[C@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3O)C2)cc1	58083383	YZESUJWCQNNNMH-UGKGYDQZSA-N	412.942	5.647	10	10	HKCE	
CC1=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O[C@@H]2c2ccccc2O)C1(C)C	247981882	XJJYBALJTNSPDP-DSNGMDLFSA-N	414.505	5.732	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250515291	VGQJBVWXILRRLL-OHUGHZGNSA-N	408.457	6.433	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1Cl	1858591768	ZVYOFTBCPJEJKP-OQLLNIDSSA-N	424.772	5.504	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1	1860086858	LJXCNAYIVIOCLT-GZTJUZNOSA-N	417.939	5.311	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1	1865670003	CJAFIMPLEQAINW-JJIBRWJFSA-N	404.554	6.064	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)N=C2CCC)cc1OC	1865672383	ZLSOTWPVPHTENO-HMMYKYKNSA-N	400.563	5.692	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1	1865965036	LIKDHHXDTSUGPH-UHFFFAOYSA-N	406.485	5.343	10	10	HKCE	
CCc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1	1866037538	XZVZXRFFEZQSRM-UHFFFAOYSA-N	407.535	5.942	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915439947	YMTXUHHFZTTWJY-LPHOPBHVSA-N	417.391	5.304	10	10	HKCE	
Oc1cccc(F)c1CNc1c(Br)cc(Cl)cc1Br	2104511198	SSLKNFJVFSIDJC-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1	2293163914	PRJNSIPLRBVJID-UHFFFAOYSA-N	424.529	5.398	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(OCC)cc1	2313681768	MUNVFZDXNAFLBW-UHFFFAOYSA-N	420.538	5.584	10	10	HKCE	
O=C1SC(=Cc2ccc3noc(-c4ccccc4)c3c2)C(=S)N1c1ccccc1	2314487300	HPZISDONKAOCQT-UHFFFAOYSA-N	414.511	6.537	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1	2323874462	UDVRMXZJZCRGHG-UHFFFAOYSA-N	422.619	5.115	10	10	HKCE	
Cc1cc(/C=C2/N=C3CCCCCN3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	6908731	WXLJFFOOAIQFJA-XDHOZWIPSA-N	401.432	5.269	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	14473475	PIYOCVMSYSDOKK-DRSNIGMVSA-N	423.900	5.311	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCOCC1	14475316	CGBWOAKLDFTNJA-HWBMXIPRSA-N	410.517	5.139	10	10	HKCE	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccccc1C(F)(F)F	32191644	KMZPXCMJCSJTRQ-DHDCSXOGSA-N	412.433	5.115	10	10	HKCE	
Cc1ccc(COc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1	103719291	SYTYUNODIGLLGR-ONVPTEKUSA-N	409.898	5.004	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1N1CCCCCC1	256018131	UWUPDAQTUMZIHA-UHFFFAOYSA-N	417.473	5.924	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccccc4F)n3)cc2)cc1	1857850616	VBPFJYNNAJBSCG-UHFFFAOYSA-N	406.551	6.632	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588755	YCBOPIZPQSARPS-QGECAGPRSA-N	401.597	5.501	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCC	1860084982	DOXFUUGJEYKNLM-XSFVSMFZSA-N	413.564	5.588	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(C)c(Br)c2)C1=O	1860086091	JMIWZWBUJXVMHI-CXUHLZMHSA-N	420.353	5.172	10	10	HKCE	
Cc1cc(Cl)ccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860480808	FOXOKVORPUYYIX-CYYJNZCTSA-N	404.945	6.054	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cccc1OC	1865668587	GNKOEAUHUSYDAF-RCCKNPSSSA-N	406.526	5.293	10	10	HKCE	
COC(=O)c1c(NC(=O)COCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1866059723	BJIRQFOWICQBQD-UHFFFAOYSA-N	423.534	5.282	10	10	HKCE	
CC(C)(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Cl)c1C(F)(F)F	2079702534	RPOAWEJEBBBZDO-UHFFFAOYSA-N	400.750	5.626	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(CO)c2Br)C(C)(C)C)cc1C	2079969954	LCWPQEYJCSFAIL-GOSISDBHSA-N	409.368	5.219	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3c(O)cccc3Br)cc21	2088944480	GHNKMXJYRFIWTC-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
CN(c1ccccc1)c1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1	2297350765	PRMKFKGGYFKUFH-UHFFFAOYSA-N	420.534	5.999	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)C(=Cc2ccco2)S1	2314952129	UNMXPQYLSSVCFA-LJQANCHMSA-N	415.474	5.443	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332100199	VSDLQTVXUGQBQB-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
Cc1ccc(C)c(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	5698262	CCEQXDRXHXILOA-HHHXNRCGSA-N	411.501	5.447	10	10	HKCE	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(SC)s3)c2C)cc1	5871883	SJNZIVOAEFCYNQ-UHFFFAOYSA-N	419.597	5.041	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(c2ccccc2)C1=S	16310873	YWOZJWKTQBBGAX-WAEYBMNLSA-N	424.525	5.300	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1	40867508	ZUAYXOFGUXQCBV-ZSOIEALJSA-N	410.303	5.097	10	10	HKCE	
Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c1	210668457	SNOXRBYPOPOKFY-CPNJWEJPSA-N	424.591	5.132	10	10	HKCE	
CC(C)CNCc1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	384162058	ICULZMMDSRMDIA-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N(Cc2ccccc2)Cc2ccccc2)ccc1Cl	1860481466	FSEFXUSGSFCWHE-CYYJNZCTSA-N	403.835	7.060	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	1865666527	PHOJPURZYBKBET-ZSOIEALJSA-N	415.198	5.043	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	1865673230	WQUIBCPSPADXNZ-UYRXBGFRSA-N	419.422	5.016	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C)c(F)c2)sc(C)c1-c1ccc(C)c(C)c1	1865978313	DVFYFOQMMZHMKA-UHFFFAOYSA-N	411.498	5.827	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)cc1Br	2113618160	MCQATELTLGTMNU-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1Br	2231454627	PTYSKOVZIOHZHM-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2cccs2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2296883023	JTOLJTSEHRMDKZ-UHFFFAOYSA-N	405.875	5.826	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1ccc(SC)cc1	2313577358	HFPZIAYGDICLMZ-UHFFFAOYSA-N	407.535	5.409	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc(OC)c2)sc(C)c1-c1ccccc1	2320742745	XOKIZFJYOXJSLM-UHFFFAOYSA-N	407.491	5.171	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)c1OC	2321602879	LAWGFSRBUPRIBN-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1	2321660938	CTKUDWCANLPKTL-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672440	YVCJYLTVHNJKQT-UHFFFAOYSA-N	406.507	5.975	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1	2321702561	WRUGLHGMQCYXLF-UHFFFAOYSA-N	411.592	6.251	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1	2326970055	CNAVJEPCLHNIMB-UHFFFAOYSA-N	411.548	5.084	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332128048	KZUMGDNRDWKRKC-UHFFFAOYSA-N	411.892	5.651	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2332128261	XGXMOJIHRDSCEZ-UHFFFAOYSA-N	423.472	5.020	10	10	HKCE	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCCC3)cc2)C1	6782113	AXQHTYWQSRWUEH-HXUWFJFHSA-N	412.577	6.332	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14460224	DQPOBQGPEVCFJD-HDMKZQKVSA-N	407.682	5.771	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1	14461857	DUAIVRFBPJMXFV-AWRGLXIESA-N	417.597	5.888	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	14475566	FYALJYIWVLQWDW-OARDWFSCSA-N	422.572	6.683	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546985	HVCFLPMDYSBMFM-RQVMVGKASA-N	415.364	6.350	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(O)cc2O)N3)c1	14553520	RSMGEHCTVAWPKN-ZYLNGJIFSA-N	412.489	5.485	10	10	HKCE	
CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	33409229	HGCWZMJVBZAOTK-XACIZNRCSA-N	421.946	6.062	10	10	HKCE	
S=C(c1ccccc1)[C@](Nc1ccccc1)(Sc1ccccc1)c1ccccc1	205166641	MNGPJAURGLHPGM-AREMUKBSSA-N	411.595	7.162	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	251378261	SIWTVQCLZFTVHX-OFAHOWDGSA-N	414.343	6.159	10	10	HKCE	
O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1cnc(Cl)c(Cl)c1	256020232	XVNHRPYYHQORJQ-UHFFFAOYSA-N	407.282	5.605	10	10	HKCE	
Cc1cc(NCc2cc(Cl)cc(Br)c2O)ccc1Br	708168290	AJKJLPALFOELEI-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCOc1ccc(N=Nc2cc(Br)cc(Br)c2O)cc1	1084078540	UCSIGEWEGMBQER-UHFFFAOYSA-N	400.070	5.731	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	1858588463	HAZDWCIZBXFCLR-HCAFDKJFSA-N	417.596	5.120	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1CCc1ccc(F)cc1	1858591580	UBWLMOUULITJCN-LFIBNONCSA-N	411.445	5.288	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084509	PWGDTQYOUVYWRI-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3cccc(Br)c3)C2=O)cc1	1865656916	XQABCQNNWUXRFG-YBEGLDIGSA-N	423.232	5.102	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	1865676616	GZLLAXPMECRVNG-UYRXBGFRSA-N	417.852	5.391	10	10	HKCE	
CN1CCCc2cc([C@@H](N)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999538227	KUDJVDJWXORVQJ-QHCPKHFHSA-N	423.601	5.286	10	10	HKCE	
CC(C)c1nn(Cc2ccc(Cl)cc2O)c(I)c1C(C)C	2079728298	PEYPIUCDPOPSLB-UHFFFAOYSA-N	418.706	5.142	10	10	HKCE	
CC[C@H](Nc1cc(Cl)ncc1Br)c1cc(Br)ccc1O	2239558706	JECAGUUSVHULPH-NSHDSACASA-N	420.532	5.529	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133489	SQLOSFZFKPNJBK-UHFFFAOYSA-N	424.544	6.074	10	10	HKCE	
O=C1N=C(O)/C(=C\c2cccc3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1	1156189	IUWFMZVOCMGFPY-WOJGMQOQSA-N	410.351	5.365	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Oc2ccccc2)SC1=S	2798821	VLRQGCBYESJHCS-QNGOZBTKSA-N	403.528	6.193	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	5838096	PJLGUKXHIZLHGW-CJLVFECKSA-N	418.587	6.092	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	13063472	JGKCOUAGXWTGKC-RLRFCYPDSA-N	412.518	5.414	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457035	QWERFDSPUVETHZ-JXQFQVJHSA-N	412.489	5.480	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467114	GXTHJNOZVZHDKJ-DINDLPBHSA-N	407.253	5.442	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477540	QLBZQAYJSMLLPR-YMNVWFMLSA-N	419.566	7.780	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678660	QWDFCPDOPMKLRJ-PLXFJCCSSA-N	424.544	5.794	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	20699084	SBEKMBZEFMXAST-JLRUASKGSA-N	412.533	5.433	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1	39859247	OVMFLRGXVDCBHS-BRRADNGLSA-N	414.939	5.174	10	10	HKCE	
Cc1cc(C)n(-c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])n1	40646078	JRONXGUMWOHQJC-OCEACIFDSA-N	414.429	5.346	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374584	WXBFERBYEBBCNO-CIXCFARBSA-N	405.497	6.606	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226663372	QQOWMSFQDZADNJ-TYBLODHISA-N	414.574	6.454	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1O	226667192	ONFSVVBVSMAHMV-VHSZZVNMSA-N	413.517	5.849	10	10	HKCE	
O=C(CF)N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl	252445500	PZUBJZYYQRARFX-OAHLLOKOSA-N	403.672	5.296	10	10	HKCE	
CN(Cc1ccc(NCc2ccc(Br)cc2O)cc1)C(=O)OC(C)(C)C	691391348	KLLYJMJDVXPWBB-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	1860083068	CHROFMSHPGBRTO-SNVBAGLBSA-N	408.310	5.105	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1	1860087021	VWVCNYVTYXXWBE-SFQUDFHCSA-N	417.939	5.313	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N(C3CCCCC3)C3CCCCC3)c2C)cc1	1873828151	BDCNNXRTAQFTPJ-UHFFFAOYSA-N	408.586	6.210	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OCc4cccc(C)c4)c3)c2C)cc1	1874175655	OEYFZJZWSPFREJ-UHFFFAOYSA-N	424.544	6.542	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c(Cl)cccc1Cl	1891383463	ZFCWNUQCLCBNEI-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079977176	INHWLNIXFNELCV-FQEVSTJZSA-N	402.922	5.303	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C=O)c2Br)C2(C)CC2)cc1C	2080056313	RPOSCKMDPIIAMV-OAHLLOKOSA-N	413.262	5.108	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1cccc2ccccc12	2332099301	GSUZTTZUYALNME-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NC4CCCCC4)c1c23	6737924	UXBYKZVILKRZDG-UHFFFAOYSA-N	401.510	5.774	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1	13636228	JIIUXHZJZLTCMQ-SLSDLSHTSA-N	402.538	5.394	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(C)C)cccc4[C@H]4C=CC[C@H]43)ccc21	13642927	LPMYPXDNGFXUAG-TWLCBMPQSA-N	406.573	7.764	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	13645402	TVTCWKWFMLWKIX-NNMXDRDESA-N	422.575	5.684	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456756	LRLYQHWPBGKXIY-QTISVLPJSA-N	401.575	6.895	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14458822	SEXUIYGXFZPLKU-VYKTZEHYSA-N	408.545	6.393	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471612	PPLNAXGDAAQHDP-JTAQYXEDSA-N	411.461	5.674	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544513	OHGXMLZVAOGPCS-FYQCMVGJSA-N	412.533	6.414	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)s1	20689580	WWXLKKHAKXHQCP-XLGIIRLISA-N	401.575	6.895	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691292	YSWIJGVSPKBBHQ-DNRQZRRGSA-N	422.594	5.223	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)C(=S)N=C2O)cc1	33423814	RUTIPDFXMDYVQW-FRKPEAEDSA-N	421.305	5.064	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O	53362843	OFSHJLQGXOUZSR-WIOPSUGQSA-N	420.940	5.975	10	10	HKCE	
CCCCN(/N=N/c1ccc(Br)cc1)c1ccc(Br)cc1	59465591	HQGSHWFVGBEXHD-FMQUCBEESA-N	411.141	6.517	10	10	HKCE	
CN1/C(=C\c2ccc3cc(Cl)c(Cl)cc3[n+]2C)Sc2ccc(Cl)cc21	247863019	WQDVLYXBWQLABG-UHFFFAOYSA-N	408.761	6.165	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	250779188	HLSSFEKAEHXGME-ZMPRRUGASA-N	413.348	6.056	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1	526225650	SEKAFLKWRYEFJR-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526399328	NXAXONSMLRLQIQ-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
COc1cc(NCc2ccc(Br)cc2O)ccc1NC(=O)OC(C)(C)C	691393913	YDYKDICMUQSSHY-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)cc1OCC	1858586447	JGZZKKQLDGUCNC-HMMYKYKNSA-N	419.612	5.798	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cc1OCC	1860083871	AUFYZNGBPJYYTF-CPNJWEJPSA-N	413.564	5.507	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1Cl	1865676674	JSVVSXVCHTUTFQ-JXAWBTAJSA-N	403.825	5.083	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2OC)sc(C)c1-c1ccccc1	1865945140	OJZBIPTUUMGCRI-UHFFFAOYSA-N	409.507	5.090	10	10	HKCE	
C[C@@H]1[C@@H](Nc2c(N)cccc2Br)CC(C)(C)CN1Cc1ccccc1	1916232928	CZAIMJXGQNULBX-BEFAXECRSA-N	402.380	5.132	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079032933	MAQHFUDPKXSSRB-GOSISDBHSA-N	404.938	5.414	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CN)c2Br)C2(C)CC2)cc1C	2080029719	CDUGUHGVWAFPLC-GOSISDBHSA-N	420.395	5.114	10	10	HKCE	
CCN1C(=O)C(=CC=C2N(C)c3cc(C(F)(F)F)ccc3C2(C)C)SC1=S	2297616500	UWDPPYOEEFAUJR-UHFFFAOYSA-N	412.502	5.081	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1	2321569982	GQXQWUKQAYNTBS-UHFFFAOYSA-N	416.999	5.900	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	2332116615	HWPWTGHAFVVOCW-UHFFFAOYSA-N	424.544	6.399	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2CC)cc1	2332119388	IJYVSXIUMPLGOR-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1Cl	2332144654	BOVOUNXNYXXHHE-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639081	NYXCBFABMLMXCF-QKLQHJQFSA-N	411.343	5.415	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O	14457420	AHPCWKIFWBRVFW-OREGWCPLSA-N	419.565	6.577	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462652	ZFIFPFVCBFKAHA-ZEVJAHDQSA-N	408.545	6.889	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468213	QOGDSNMFKOEYEO-RLSLOFABSA-N	406.526	5.293	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691924	CORUKKWVRGLUDJ-AZSVPQILSA-N	408.545	6.691	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710447	HIBPMWQPQLGAGG-GOHWNWGWSA-N	412.489	6.309	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1	54620058	NCQKDFDVRRZATF-QFIPXVFZSA-N	413.477	5.104	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226843310	PYZXIKCOFPJYMR-ZOCZFRKYSA-N	402.321	6.387	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226843716	VCAJWODFRMOANX-STSQHVNTSA-N	402.365	7.245	10	10	HKCE	
COc1cccc(N=Nc2c(N)nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)c1	252610023	HYBVJSXLRDFMHN-UHFFFAOYSA-N	420.476	6.070	10	10	HKCE	
CCN(CC)c1ccc(N=Nc2cccc(C(=O)Nc3ccccc3OC)c2O)cc1	254701849	IPWSWHFLSWKECV-UHFFFAOYSA-N	418.497	5.915	10	10	HKCE	
C[C@@H](NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(N(C)C)cc1	390558776	JVCNTYPBMAZGIE-HSZRJFAPSA-N	401.598	5.496	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c(C)c1	526455265	KKGXQODLGCQDBW-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC	1860084838	PWLQLXKTMKWYLC-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N2CCN(C/C=C/c3ccccc3)CC2)ccc1Cl	1860481502	GEMGQEKGLFFMRQ-QHOYUHCYSA-N	408.855	5.689	10	10	HKCE	
CC(C)(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1Cl	2078981396	NGCLQVZVVTVBNF-UHFFFAOYSA-N	400.750	5.626	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(C=O)c2Br)cc1C	2079971555	INGOZXGSNANUSD-IBGZPJMESA-N	405.336	5.293	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2321635402	TYOCSIKNXXUSRD-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S	2321687265	SLGKMJQKRJGUSV-UHFFFAOYSA-N	407.919	5.674	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)C)cc1	2332104139	MMJZYJQVEPQBGU-UHFFFAOYSA-N	401.337	6.703	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cccc(F)c2)cc1	2332140732	GFFUUKFFHGQWRC-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(OC)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	13636245	OZGIEGSFSJTDEF-PPJWLVRDSA-N	424.544	6.188	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)NC)cccc4[C@H]4C=CC[C@H]43)ccc21	13642988	SVKQCPZMMDASIN-UDJSKEQPSA-N	421.544	6.001	10	10	HKCE	
COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14004288	NPESTFOXCZXAEV-UURXTDFOSA-N	416.506	5.637	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14456093	NTUVMOHOFXMNNF-ZYKOEDHHSA-N	403.547	6.341	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457838	CEKVMWCQEPDYNA-ZYVVXELTSA-N	414.593	6.501	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	14463945	ORXMYWYUEWQJHG-CMPZQBNXSA-N	400.736	7.627	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3cccc4ccccc34)[C@@H]2C1	14464451	VLTPDPOMKKRNAR-UJCCJREASA-N	423.600	8.016	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476463	UZGRYMUEYBONPF-ISJBWFOZSA-N	411.501	5.879	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550293	VNKZKGRPJUIEQV-AWRGLXIESA-N	402.538	5.584	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cc(Cl)c3ccccc3n2)SC1=S	20414073	VTKQFMHOUIQHIX-QXGSTRBFSA-N	410.951	5.851	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2	20679303	VGMDCEFCTYHCAV-PQNGQFLHSA-N	418.518	5.020	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	100275801	OXPGXHJSOFCNRZ-XQNSMLJCSA-N	417.549	5.985	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226885937	GMSKQEITZNDWNU-QSAZIKIQSA-N	421.566	5.071	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226905111	HYLAUMAHNWEVJB-RNHFSVANSA-N	400.547	6.146	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250657218	WFHWCCPGJAAVQG-YDIMBITNSA-N	414.461	5.706	10	10	HKCE	
O=C(O)/C=C/c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	309789533	FZAUXJOMCQATJS-WYMLVPIESA-N	422.322	5.754	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1	1860075416	UQLRYSXFJFOZCI-WOJGMQOQSA-N	403.956	5.843	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1	1865680077	WDJMBBDZILJIHJ-LFIBNONCSA-N	403.707	5.294	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1cc(Br)ccc1O	2069939701	HFMMNTYKUYLALD-UHFFFAOYSA-N	421.335	5.012	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)C1=Cc1ccccc1Cl	2294082177	MCZIRAPKFFDBQQ-UHFFFAOYSA-N	411.885	5.006	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl	2313609932	ORJKNPQYUAKASF-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC	2332106865	PKKBLUYATDVBHQ-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(=O)OC)cc4[C@H]4C=CC[C@@H]43)ccc21	13642546	SIKQHTCFIBXJGO-BKCZMFJTSA-N	422.528	6.428	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14466535	OWQGXZQRYZRYDE-WZOHSFFVSA-N	417.936	6.624	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14478824	NROZZHJTSDCNTP-WRALFONMSA-N	400.566	6.226	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14547802	UDHISPNQVSUJBI-MVOZIGHISA-N	404.513	7.116	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549527	GFHSEJCZHZSXCA-PRVBGKCFSA-N	418.540	6.521	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccccc1	20700120	WXYZSLCFORXDRN-PQNGQFLHSA-N	400.909	6.419	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226646715	CLOCEHIBLPFJOB-DBXWQHBBSA-N	412.327	5.842	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226704259	ICGOVVJSQCOORU-OTNCWRBYSA-N	403.570	5.499	10	10	HKCE	
CCNCc1ccc(N(C)Cc2csc(Br)c2)cc1Br	233558501	ABKYOGMHZPDHFY-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	253572810	QPXDEEWBKBNMGI-LPTDTENNSA-N	402.925	5.745	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2cc(Br)cc(Br)c2)c1	690338895	KNGHEVDKOKXOBX-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858596236	QJPSUVBECBZNCO-FOWTUZBSSA-N	417.427	5.317	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1	1860086462	JDGKXIJYWXNTSC-WOJGMQOQSA-N	403.956	5.843	10	10	HKCE	
O=C(CSc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(O)c(O)c1	1860802056	PJXUWNYCEHAXCK-UHFFFAOYSA-N	412.319	5.503	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2c(F)cccc2Cl)cc1	1865664119	AYDXIWVPSPDXPE-XSFVSMFZSA-N	420.871	5.318	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664837	NMUMOQMAGQBPAE-FMIVXFBMSA-N	414.119	6.496	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671398	YZYOQKUKGKMAIG-RCCKNPSSSA-N	414.505	5.832	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)Nc1ccc(F)c(C(F)(F)F)c1	1891629727	QDUHXCFAJMIYFF-YOEHRIQHSA-N	407.411	5.155	10	10	HKCE	
CCCN[C@@H](c1ccc(N2CCCCC2)cc1)[C@@H](C)NC(=O)OCc1ccccc1	2163148829	BOLZARWLAURTBA-HYBUGGRVSA-N	409.574	5.033	10	10	HKCE	
Cc1cccc(CN[C@H](C)c2cc(Br)c(Br)s2)c1O	2266539420	OSLKESHIGXMOSC-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(C)c(C)c3)C2=O)cc1	2313682705	IZZZRHVQPYNVHC-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1ccccc1C(F)(F)F	2321672266	YGYDTZHDYZKCRE-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332105078	VUHCCZPRJQROLK-UHFFFAOYSA-N	414.119	6.496	10	10	HKCE	
Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c(C)c1	5698184	YHCBUNYEGNBNMR-MHZLTWQESA-N	411.501	5.447	10	10	HKCE	
Oc1ccc(-c2ccccc2)cc1/N=N/c1ccc(I)cc1	6530262	HGTKGGTUNICYBY-QZQOTICOSA-N	400.219	6.079	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635621	BQHQICPWQPKSAH-AKBCKCPUSA-N	424.544	6.013	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457942	HJCSCNGVPBNESZ-ZYVVXELTSA-N	414.593	6.310	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550490	GLXMAVNOUGVXSY-OARDWFSCSA-N	411.545	6.533	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CC=C[C@H]32)CC1	14550898	SUZGRBKHFQCPCF-JTAQYXEDSA-N	417.509	5.293	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21	20679902	HCRZMJVSKRJNSX-TZBSWOFLSA-N	410.517	5.491	10	10	HKCE	
CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Nc2ccccc2)cc1	21891637	SJKLQTZRJDZXSV-SANMLTNESA-N	422.532	5.680	10	10	HKCE	
CCN(CC)c1ccc([C@H]2SC=C3Sc4nnc(C5CCCCC5)n4N32)cc1	103409262	XHZNBTFZKAFTGV-HXUWFJFHSA-N	413.616	5.460	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	226895446	FGKOFPHZVQGCBV-DZBFJFRRSA-N	412.508	6.143	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C\C(=O)O)cc1Br	385248448	KGLDMRXVRDNZJT-PINLSGDHSA-N	400.316	5.352	10	10	HKCE	
Cc1cc(Br)c(O)c(N=Nc2ccc(Br)c(Cl)c2)c1	1084347805	MDUUDLRDGQNHBT-UHFFFAOYSA-N	404.489	6.294	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC	1858590646	CEXNWBNKQJWOEP-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)ccc1OC	1860073627	ZDVKJQOQVRAMES-WOJGMQOQSA-N	419.955	5.462	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865664290	JMGWDIMQLGTBQO-JLPGSUDCSA-N	414.936	6.294	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2095838078	WPBSJZKQFZUYSZ-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
CNCc1ccc(N(C)[C@H](C)c2cscc2Br)c(Br)c1	2186584002	DCEMVDQOFXDDHE-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2223536094	WUFLWYBVKGXJNQ-KRWDZBQOSA-N	403.408	6.142	10	10	HKCE	
Cc1cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1	2297308259	PPJULNADIKVZJR-UHFFFAOYSA-N	424.472	5.609	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(N)cc2)sc(C)c1-c1ccccc1	2318413360	NQRKKNCFGHNZQU-UHFFFAOYSA-N	406.507	5.134	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(C[C@H](c2ccccc2)N2CCCC2)C1=O	2323882399	VYFVASSRXJNNAG-HXUWFJFHSA-N	408.592	5.033	10	10	HKCE	
O=C(O)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332139577	VZLFXJXMWJSQEP-UHFFFAOYSA-N	418.452	5.373	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F	2332148696	ADNFCMCWLLFOPR-UHFFFAOYSA-N	409.205	5.106	10	10	HKCE	
Cc1ccc(CNCc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1Br	2352954308	YMKNCHXMIYPSAI-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OC	2470492	UBRHAQAZBZGGSP-HSZRJFAPSA-N	415.493	5.171	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14460226	DQPOBQGPEVCFJD-RLFYNMQTSA-N	407.682	5.771	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546871	RDMWXXWQMHJZRE-VWLHBSKXSA-N	401.337	5.960	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755764	UVMCKCDLPVBDBU-OASJLCFRSA-N	411.545	6.533	10	10	HKCE	
C/C(=C1/SC(=S)N(c2c(C)cccc2C)C1=O)c1ccc(Br)cc1	39859197	SLIKWUIEHWLUBZ-LGMDPLHJSA-N	418.381	5.862	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1	102739349	DMUURMVPSOALBC-XDHOZWIPSA-N	406.825	5.104	10	10	HKCE	
Cc1cc(C(=O)Nc2ccccc2SC(=O)N(C)C)c(C)n1-c1ccccc1F	110667722	MYYGWBOXKHFYBG-UHFFFAOYSA-N	411.502	5.259	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226792876	UGQFYUCFTBJTQR-SLSDLSHTSA-N	410.517	5.452	10	10	HKCE	
CCN(CC[n+]1ccccc1)c1ccc(N=Nc2ccc(Cl)cc2Cl)cc1	1088675724	CKDFTQGSKRESIM-UHFFFAOYSA-N	400.333	6.223	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc(Cl)cc1	1858590742	HAPXBSDMRBVHJD-VIZOYTHASA-N	414.766	6.048	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccccc1Br	1860074852	SRKCSSZPJJTRKW-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)C)c(Br)c1	2034705065	QIUGGGWLUFPUJM-SFHVURJKSA-N	403.408	6.172	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2034779673	DGXXYHCAJNMNIA-UHFFFAOYSA-N	400.316	5.354	10	10	HKCE	
C[C@H](N[C@@H](C)c1ccccc1O)c1cc(Br)c(Br)s1	2266536090	WZTDLROUDQDNJK-IUCAKERBSA-N	405.155	5.391	10	10	HKCE	
C[C@@H]1Oc2ccccc2C=C1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O	2296716947	KIFVNBFHUALSJZ-ZDUSSCGKSA-N	413.951	5.449	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc2c(cc1Cl)OCO2	2297364754	APQKGFKMZCXBEM-UHFFFAOYSA-N	409.656	5.182	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)c1	2321742624	OWNBYRJPSLODLS-UHFFFAOYSA-N	414.508	5.098	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	2332119640	YWFDFRIAYKXZRJ-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
CC(C)(C)OC(=O)Nc1nc2cc(NCc3cc(Cl)ccc3O)ccc2s1	2382184358	KUZILYDMBNLBLA-UHFFFAOYSA-N	405.907	5.614	10	10	HKCE	
COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc1OC	2470488	UBRHAQAZBZGGSP-QHCPKHFHSA-N	415.493	5.171	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@@H](C)C2	2909594	HPRWYMJDBYYZGP-OAHLLOKOSA-N	424.566	6.037	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635774	ZVJDJAWVFODXFI-JCYRPKCISA-N	424.544	6.391	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459284	YAAJZFBNAGUHDN-OREGWCPLSA-N	413.517	5.849	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468041	PBCYKHXHPLJMEJ-QEEYODRMSA-N	417.336	5.665	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468918	JNTWHSQOKSGOEI-DFIYOIEZSA-N	407.510	5.482	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476634	OLJDLTFHSDPRPT-AWVRMFGXSA-N	411.545	6.881	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550323	SMFAHOCUPJIVPD-JCYRPKCISA-N	424.544	5.494	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20719349	WTCQEXFJEONXNI-ZIHSNCGMSA-N	415.533	6.090	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226705782	PWHSJBPBOSXYPK-ZOCZFRKYSA-N	416.315	5.006	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226727010	NNOHXGZAHWTUES-KHCICDEESA-N	421.493	5.014	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1ccc(O)cc1O	312165561	QIASRDNBNADAML-ZETCQYMHSA-N	421.516	5.449	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1	1860075495	YOGTZEHOJBXABJ-XDHOZWIPSA-N	416.999	5.900	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cc1OCC	1860086889	NGDSLVQFXWPYFB-GIJQJNRQSA-N	421.490	5.168	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)c1	1860086950	RLXVVQHJBWHRLO-WOJGMQOQSA-N	415.511	5.107	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	1860087398	UQFRCMHFAIZWTQ-WOJGMQOQSA-N	404.507	5.217	10	10	HKCE	
CC1(c2nn(Cc3cc(C(F)(F)F)ccc3O)c(Br)c2C2CC2)CC1	2079773659	MZKOLAYOLAWIBS-UHFFFAOYSA-N	415.253	5.347	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231463783	SOKQIMVSJLOGFV-GOSISDBHSA-N	415.419	6.142	10	10	HKCE	
O=C1C(=Cc2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(F)cc1	2297576485	AHRPISANOLAELU-UHFFFAOYSA-N	415.514	6.538	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1OCC	2321606838	NPIMMZNHLBKSDP-UHFFFAOYSA-N	417.527	5.419	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1	2321702566	WZUZZXMQIKEIJI-UHFFFAOYSA-N	403.956	5.781	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c1	2332134538	IKWUKUPFSJUBKS-UHFFFAOYSA-N	411.461	5.042	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCC1	13639380	MTWZOMYMUFGQCP-CNNODRBYSA-N	423.354	5.512	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460245	QPYZHBRTJLMRHX-JTAQYXEDSA-N	400.909	6.419	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466839	ZHIGCUDKFWVZMP-YDIMBITNSA-N	400.909	6.419	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476284	WVRAUBKLINCTJG-VHFRWLAGSA-N	410.517	6.051	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544072	WOTIECYRRABEPG-IPVFLDMMSA-N	413.517	6.242	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363169	FXQOWOXUZXYGTJ-ZCYQVOJMSA-N	420.940	5.839	10	10	HKCE	
C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(N(C)C)cc1	59416082	UZGVMJTZLSHECX-RNXOCXKFSA-N	411.549	5.744	10	10	HKCE	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2c(Cl)cccc2Cl)S1	101455359	HRBMGMNBPKGVND-OVCLIPMQSA-N	407.278	5.082	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2	103006530	YDMNYGXERKWBHY-JAIQZWGSSA-N	421.499	5.077	10	10	HKCE	
Cc1cccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C)cc(C)c2)c1	103408261	FBWICBARUCNSSU-HAHDFKILSA-N	411.461	5.355	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2/Sc3sc4ccccc4c3N2CC)SC1=S	104544959	LJZQPAITQHHMFH-ZKLMZBBOSA-N	404.607	5.439	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226712370	BOQKFCAMASWICW-QQNWGBJXSA-N	409.577	7.103	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc5ccccc45)[C@@H]4C=CC[C@@H]43)ccc21	226778864	KMZYHZDVUIYMQE-VTYUZOFQSA-N	414.552	7.794	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@@H]21	226855493	VJBSRACITYZKNI-FFUSMKSVSA-N	413.517	5.930	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	250792444	SULXPSXJUCVIIB-ZMPRRUGASA-N	413.348	6.056	10	10	HKCE	
CC[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1O	382438536	OGXUEHCBSOROSZ-OAQYLSRUSA-N	412.327	6.297	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)cc1	526202917	FHPQDKRGVDGETE-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526233508	JHMJDPGXVYCIED-VWLOTQADSA-N	412.533	5.681	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)cc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859911273	VSFGPRVIAVSESL-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668598	HADZHWHBVCTZHZ-KOEQRZSOSA-N	410.517	6.079	10	10	HKCE	
Cc1cnc2c(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cccc2c1	1891562021	ZKCOYLKNTHADPP-UHFFFAOYSA-N	415.927	5.121	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1Br	1915779251	YORSBMZHSRYKLK-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)C2CC(OCc3ccccc3)C2)c(Br)c1	2100209609	DZIQJRKYNPEJSZ-PBPGXSGUSA-N	417.391	5.304	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(Br)c1	2129812718	ZFXZTZOMWHNJFG-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2csc(Br)c2Br)cc1	2163096065	GNRKCTIUQBJLDK-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1Cl	2296683386	RDJIBJGTGDGJGK-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682875	MRIJPWOWNYPDOT-UHFFFAOYSA-N	419.887	5.925	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1OC	2318756666	QSPQRORXWXYQKK-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC	2323790810	LVBWAVBMXQYOHA-GOEBONIOSA-N	405.585	5.264	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099358	MWWGZSZBDPHCOR-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104665	FGVZFCCHXPKHPQ-UHFFFAOYSA-N	409.316	6.733	10	10	HKCE	
COc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	2332148594	XGJWNXBVOMRIDU-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	14467010	VVFACDGOHVZMEB-YZZKKUAISA-N	424.327	7.318	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552271	RSEHIEAPLTZLEC-RQTOMXEWSA-N	420.622	6.497	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(C)s2)N3)c1	14553538	FTJCSMICUWWJOT-DCLXLUIPSA-N	400.547	6.444	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678586	GBBNSXIQMYGZBA-RQTOMXEWSA-N	410.517	5.452	10	10	HKCE	
Cc1ccc(OCCn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)cc1C	34880180	HPJBXOSIWYCFAK-JLPGSUDCSA-N	408.501	5.830	10	10	HKCE	
O=C(O)c1ccc([C@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	59267193	OYQYAHPUBRQEQE-WRALFONMSA-N	413.542	6.504	10	10	HKCE	
C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)no3)ccc2O1	254520705	QJJZZDZNYCBQRR-INIZCTEOSA-N	424.460	6.333	10	10	HKCE	
C[C@H]1CCCCN1c1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	256018015	DOCXVVIXWTWDNA-INIZCTEOSA-N	417.473	5.923	10	10	HKCE	
c1ccc(CN(CCCNCc2ccc(N3CCCC3)cc2)Cc2ccccc2)cc1	390524711	IHZBFHHWRUYJDG-UHFFFAOYSA-N	413.609	5.469	10	10	HKCE	
COc1cc(Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1/N=N/c1ccc(O)cc1N	1615943914	FHAJCLXFQMZKJA-WCWDXBQESA-N	413.821	5.704	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S	1858590887	MYKKUNARYVEOTJ-CSRGTXSUSA-N	404.645	6.093	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)cc1OCC	1860086772	GKGFRNSFJCYXOP-DEDYPNTBSA-N	413.564	5.452	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)c1	1860087745	RDVHZZMHIAHTQW-OVCLIPMQSA-N	417.606	5.140	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc(C)c1-c1ccc(C)cc1	1865941347	DNFKVSONZWZCIG-UHFFFAOYSA-N	407.535	5.996	10	10	HKCE	
CCc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC	1866094675	SSFKSKXBUSAHCE-UHFFFAOYSA-N	423.534	5.398	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1Br	1915411158	YSZYBIQOWDHGAL-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
Cc1ccc(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c(O)c1	2079790872	SNTRSIRARIANKZ-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
Cc1ccccc1COc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1	2293803518	PFSGPACQMXPRCU-UHFFFAOYSA-N	421.543	5.568	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc(Cl)c1	2297305912	DLLKYHVMSKOMKC-UHFFFAOYSA-N	415.898	6.145	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CNc1cccc(F)c1	2313501912	FFLYFXVLUOGJFK-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1	2313682084	UWNIJVSYTOLHEL-UHFFFAOYSA-N	405.241	5.010	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1cccc2c(O)cccc12	2321647163	JKQXMHUWMLHLQB-UHFFFAOYSA-N	415.898	5.744	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c(O)c1	2332100217	WVCFDULVMLGHQH-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)cc1	2332119360	FSFVXXXXLFHATR-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1	3769310	GVJKFBQVZICNBE-GDNBJRDFSA-N	409.363	5.465	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466795	XFTQZFOZWBOLQU-KHCICDEESA-N	423.988	5.238	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469659	LYTZXRPXJWKEMF-VRUMLPLGSA-N	401.937	7.054	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470199	BFTGQGYXVNNLSR-SGIRGMQISA-N	410.517	5.452	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477247	KZXPLQTVKCOIRA-BQLSAVKESA-N	415.364	6.348	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)C)cc2)N3)c1	20795442	ISXJSMOMMKTGTM-INNMJMHTSA-N	422.572	7.197	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1	54619272	VJVQVGZZPZQCBI-QFIPXVFZSA-N	416.452	5.458	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1	526473192	FFZBXSABFOMOTP-OAQYLSRUSA-N	407.491	5.340	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCCC3)C2=O)cc1OCC	1858586741	RLROMUSMJKSVHO-HMMYKYKNSA-N	419.612	5.798	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cccs2)cc1	1865670660	LJJCLXRXWHXJCI-DEDYPNTBSA-N	408.910	5.240	10	10	HKCE	
Cc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Br)cc3)C2=O)cc1	1865680113	XYHDZOFHDOUSPU-GDNBJRDFSA-N	409.205	5.106	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	1866164249	UPNPZTHTYQHUHI-MRXNPFEDSA-N	422.550	5.654	10	10	HKCE	
COc1ccc2ccccc2c1CCC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891679740	QHYGPLQZLSIXSO-REWPJTCUSA-N	414.549	5.086	10	10	HKCE	
Cc1ccc(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	1891910395	AUSZWNMFTDZJFA-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2Br)c(O)c1	2079006566	DNXSQOAHGXWTLP-LJQANCHMSA-N	403.320	5.129	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(Br)c1	2095879191	JSSFPRICJQCBJY-HXUWFJFHSA-N	417.391	5.133	10	10	HKCE	
CCN(CC)c1ccc([C@H](O)c2csc(Br)c2Br)cc1	2163104180	BXRAHTLVYXNZFP-AWEZNQCLSA-N	419.182	5.201	10	10	HKCE	
CCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2C2CCCCC2)SC1=S	2296739353	ZTYUVRKYGLPPML-UHFFFAOYSA-N	411.017	5.634	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)SC1=S	2297362275	GCJRXKMXKHMCMM-UHFFFAOYSA-N	401.528	5.262	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3C)C2=O)cc1	2297365181	OKLRFLKCNZIKCP-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
COc1ccc(CN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2323745695	DHOSIFBLXYVIQC-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cn(C)c2ccccc12	2332128025	IKMMSXWENACPKM-UHFFFAOYSA-N	412.320	5.677	10	10	HKCE	
Cc1ccc(CN[C@@H]2CC[C@@H](C)C[C@@H]2OCc2ccccc2)c(O)c1Br	2352683389	HHMCPFDBWOSVLF-YSGRDPCXSA-N	418.375	5.327	10	10	HKCE	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1104148	YDOZIUJGKMOZJX-YDZHTSKRSA-N	420.553	5.040	10	10	HKCE	
O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1c(O)ccc2ccccc12	2921385	DOZJYTVHXGJEEI-VUNQTZOZSA-N	409.485	5.495	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)ccc21	13642526	NZEXAJXHGNEMQC-QRRVGDGBSA-N	409.489	6.549	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14462798	FUVXEWZPNGLINM-HWBMXIPRSA-N	422.594	5.421	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476418	XWZBUDMFAPGAEH-DYLHXGEVSA-N	401.937	7.054	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14545105	DIOQDDZAMMVPOX-CKNGIIGNSA-N	405.929	6.386	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14550058	JNBAAVGOJHPOBJ-WCYRKSIYSA-N	412.508	6.224	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)s1	14552377	HEXCEHHZLWBBFR-JXALWOEJSA-N	400.547	6.444	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(C(C)C)cc2)[C@@H]2CC=C[C@@H]32)CC1	20698073	GTSRFRNPYAMCJB-JQYIIUTOSA-N	414.593	6.509	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711885	PDEJQYFIHQBOFG-PZPWOCDFSA-N	415.364	6.350	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226704085	CBJWBGGBWGQYFC-UMFSSWHCSA-N	415.964	7.178	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226706065	SKHSBYGHYAVSTG-LVCYWYKZSA-N	416.974	5.243	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	226883034	WHIYVVMAIJFQJO-IMWIBFENSA-N	417.509	5.438	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1	526180652	KEGMYFXSYZRYBP-IBGZPJMESA-N	413.882	5.178	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)ccc1O	1860074915	ACRYBOIKXJKCHH-RQZCQDPDSA-N	405.928	5.159	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1	1860084676	AMRIGIGMSJCNKL-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1OC	1860085122	OSVBUZYKBKSKKW-QGOAFFKASA-N	413.564	5.407	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(OCC)c(OCC)c2)cc1OCC	1860495531	FPQZOAUZHXWBCN-UHFFFAOYSA-N	401.507	5.303	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	1865669118	CHWCOEBBMRMURW-JWGURIENSA-N	400.453	5.055	10	10	HKCE	
CCN1N=C(c2ccccc2)/C(=C/c2ccc(N(CC)Cc3ccccc3)cc2)C1=O	1865675122	PRIKJTYYMUHDRA-PLRJNAJWSA-N	409.533	5.363	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3ccccc3OC(C)C)C2=O)c1	1865676240	YFSAGLBPPQMFGD-UNOMPAQXSA-N	416.443	5.435	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1	1865676641	IKWUKUPFSJUBKS-HAHDFKILSA-N	411.461	5.042	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(CC(=O)OC(C)C)cc3)c2C)cc1	1874156176	ZSWJXHINVWJWSK-UHFFFAOYSA-N	404.510	5.149	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2Br)cc1C	2080034905	CZPVKICSYINAFH-QGZVFWFLSA-N	406.368	5.237	10	10	HKCE	
Cc1ccc(NCc2cccc(Br)c2O)cc1CNC(=O)OC(C)(C)C	2231331882	NJKABWDRDPDWJG-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	2318753355	JFDOSFNHMCPBOR-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	2321672145	SEXOCVUCSYNDQK-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709011	NQWMIEGPVBAXIF-UHFFFAOYSA-N	406.507	5.217	10	10	HKCE	
CC=CC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC	2323815982	JLTPIYNDMRXZOL-UHFFFAOYSA-N	408.317	5.177	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	2332099474	YFYZGSKCBGJVDZ-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(OC)ccc1OC	2332114712	IGHWHDAVNFHOSR-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl	3003709	WKLGIAZKOFGJCY-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
O=C(O)CCC/C(=C\c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1	12557368	JXNAGQMUTYRMOX-HTXNQAPBSA-N	406.551	6.082	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14460451	HWSJEDYPRFYJBQ-IMSXRSKXSA-N	420.984	6.571	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466982	DEGMBMUBIWSBQD-QEEYODRMSA-N	403.309	5.508	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1	14472307	DGPWXFDHQRUJRB-HFMPRLQTSA-N	417.509	5.293	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1	14551687	KQLUAWRPZLHEMB-DXBVXKBHSA-N	422.572	7.063	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Cl	17091356	KRFREALACXIODZ-DEDYPNTBSA-N	418.324	5.891	10	10	HKCE	
Cc1cc(Br)ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1	41012017	INBMCMDBGQTMQN-UHFFFAOYSA-N	422.278	5.075	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl	59396502	ORJKNPQYUAKASF-AUWJEWJLSA-N	400.739	6.053	10	10	HKCE	
CC[C@@H](Nc1cc(F)c(Br)cc1C)c1cc(Br)ccc1O	224275634	QJERNVRYCWESRH-CQSZACIVSA-N	417.116	5.928	10	10	HKCE	
Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c[nH]c12	1866077792	OFJVGVNEVXABLR-UHFFFAOYSA-N	419.868	5.117	10	10	HKCE	
CCCOc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871104419	BBEWFYLIDCMDPM-UHFFFAOYSA-N	419.569	6.039	10	10	HKCE	
CCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1	1946826258	JWEVVOWTYMAMTO-UHFFFAOYSA-N	415.625	5.633	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1cccc(Br)c1O	2139002523	ZHJAXOHZLVOBRG-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
Cc1cccc(CN[C@@H](C)c2cc(Br)c(Br)s2)c1O	2266539425	OSLKESHIGXMOSC-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
CCCCN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	2314433675	QHYQKZLSWZEEPF-OAQYLSRUSA-N	407.560	5.748	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cccc(OC(F)(F)F)c1	2321734249	KMSAHQIUFWGJGN-UHFFFAOYSA-N	420.437	5.472	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2326973157	PFCGRDLAAFFGAI-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469413	BPRZLPAZPVOYLE-YZUZCNPQSA-N	422.355	7.399	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546986	HVCFLPMDYSBMFM-WEBUEUPWSA-N	415.364	6.350	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21	14548680	LDEYEZRUJFHKEB-DRMXPCRNSA-N	400.547	5.547	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	14551159	DOEDBGLTFHOYMH-IMSXRSKXSA-N	408.567	5.124	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	14551160	DOEDBGLTFHOYMH-AWRGLXIESA-N	408.567	5.124	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701796	YCRJDTABVMDNPH-SXGZJXTBSA-N	404.337	6.704	10	10	HKCE	
Oc1c(Br)cccc1CNc1ccc(Br)c2ccccc12	123090917	BURQCIDEKDTDTP-UHFFFAOYSA-N	407.105	5.683	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1N1CCCCC1	256018039	GTVJTRJPEBRGSU-UHFFFAOYSA-N	403.446	5.534	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385580694	VPTMXTQFSQTEQU-SJORKVTESA-N	401.392	5.925	10	10	HKCE	
CCN(CC)c1ccc(CNCCC(=O)Nc2ccccc2Oc2ccccc2)cc1	1860708971	CUKVCIKDDRSTDA-UHFFFAOYSA-N	417.553	5.444	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2CCC)cccc1OC	1865668898	WFHZQNOBANWZBS-XMHGGMMESA-N	412.917	5.724	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679495	PTXMPFXIZYWFST-WGOQTCKBSA-N	410.517	5.684	10	10	HKCE	
CN[C@H]1CCCc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21	2012683416	KSWHOPBQFTVYGB-NDEPHWFRSA-N	413.609	5.422	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2ncc(C3CCCCC3)c2I)cc1C	2070321018	DHCVXRCGINLIHQ-AWEZNQCLSA-N	424.326	5.467	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1O	2318757097	WAHNFVRZDSWIBY-UHFFFAOYSA-N	413.564	5.494	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(N=Nc2cc(C(F)(F)F)ccc2Cl)CC1	2330196898	WBYBCLFLCKCAGT-UHFFFAOYSA-N	406.836	5.300	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099397	QMKXMVFLCIWGFJ-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(O)c(OC)c1	2332134699	ALIYDZQHIPLSMM-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
Oc1c(Br)cc2oc3c(c2c1CNc1ccccc1Cl)CCCC3	2054244	DIXJYPGSFDLQKK-UHFFFAOYSA-N	406.707	6.045	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458407	KWNUQJYKRSAFEU-HWBMXIPRSA-N	422.594	5.242	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462856	ZDBBQYFTXVDHDX-IMSXRSKXSA-N	424.610	5.713	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCC1	14464165	UQANYFYTXAXGFD-RZPFDVGOSA-N	408.545	6.292	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477857	DPDVSNGQBZBIMT-QBCAUPEHSA-N	415.364	6.348	10	10	HKCE	
COc1cccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550503	IXMXBZPVLMBHOD-JCYRPKCISA-N	413.517	5.980	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F	17082634	CNIMEMSSBAUVFK-XMHGGMMESA-N	403.404	5.474	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20705481	SUETYOAGRYBKEL-PLXFJCCSSA-N	418.537	6.771	10	10	HKCE	
Cc1cccc(C)c1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21	33417794	NMIWQBLGZPOHOG-DEDYPNTBSA-N	422.575	5.168	10	10	HKCE	
COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)c1	53363365	HDMHDSOWALSSLN-QPPBQGQZSA-N	422.912	5.285	10	10	HKCE	
O=C1/C(=C/c2cccs2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	59397744	HYIZERZKPMCYHC-GHXNOFRVSA-N	405.875	5.826	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cccc(Cl)c3)C2=O)c1	1865656431	KGIAMNCHLZATMY-HAHDFKILSA-N	400.909	5.787	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865668095	GJUJPFHIVKBITC-RGEXLXHISA-N	402.416	5.522	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)c1	1865668845	SSNFZTAWSMUIKT-GHRIWEEISA-N	400.881	5.460	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673801	XVDRBDNLZFTMKE-JJIBRWJFSA-N	403.570	5.732	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C	1874140922	VOZSTIPYYHGGIL-DKERFCRFSA-N	406.570	5.437	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cc(Cl)c(Cl)cc1Cl	1891855818	ROTJFFGOWKIKTH-UHFFFAOYSA-N	409.703	5.164	10	10	HKCE	
Cc1c([C@H](C)N)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901885485	WESDWIIDYIDANN-QHCPKHFHSA-N	401.598	5.462	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(Br)c(Cl)c2)c1O	2236050435	FUZKVROIDPJOGW-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
COc1ccc(NC=CC=CC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1	2295187737	FCTVOIDLRCJQFI-UHFFFAOYSA-N	422.575	5.164	10	10	HKCE	
COc1ccc(N2C(=N)SC(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	2313543933	SKPKMKMLZQJOTG-UHFFFAOYSA-N	421.497	5.298	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S	2321569980	GBQAYUGZYLUXHQ-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
Cc1cccc(N2CCN(N=Nc3ccc(OCc4ccccc4)cc3)CC2)c1C	2330221629	WJEDPOWXFLFTIK-UHFFFAOYSA-N	400.526	5.703	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332096503	PDAQLJQFKZIJQF-UHFFFAOYSA-N	401.897	5.241	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2c2ccccc2)cc1OC	2332124292	MWJZAHKRXFJFRB-UHFFFAOYSA-N	420.553	5.694	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639213	WQPJXDLVIKOYNY-JQVVWYNYSA-N	414.343	5.691	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464525	POBILPMSIQMFII-KHOMTPLRSA-N	416.952	7.058	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2	14478761	DVOVSJWJOXWVFW-FBLLAGFSSA-N	424.610	5.632	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14480121	FDPYUXQTYZNELD-SGIRGMQISA-N	400.566	6.226	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550384	RRKVMQVSZQAEEY-FBLLAGFSSA-N	416.565	5.926	10	10	HKCE	
CCCCCC[C@@H](C)Nc1ccc(Nc2ccccc2)cc1SCCC(=O)O	15779189	UUSPDDMDDAOUDH-GOSISDBHSA-N	400.588	6.768	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	20683593	IBJMTWVXQIJPSC-PMAPCBKXSA-N	409.526	5.718	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccccc3C(F)(F)F)c3ccccn3)c(O)c2n1	54619576	VETFAPRTNRWFIG-NRFANRHFSA-N	409.411	5.864	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226653808	SRQJNBHRBAYZBJ-UMFSSWHCSA-N	408.545	5.794	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226869192	CTJIDYFZTJSCEX-OHUGHZGNSA-N	416.565	5.928	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCCCCC1	250517729	XGGXAOCNXKAFPP-LOLUNWTRSA-N	422.572	6.683	10	10	HKCE	
O=C(O)c1cc2ccccc2c(N=Nc2ccc(-c3nc4ccccc4o3)cc2)c1O	575179036	SUXASBLHHJHRPE-UHFFFAOYSA-N	409.401	6.467	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CNc1cccc(F)c1	1084305921	YNKACNNIPWSVHC-AUWJEWJLSA-N	413.326	5.403	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O	1858588674	RKRKWMOEMVYHLD-LNQKQVFGSA-N	417.625	5.039	10	10	HKCE	
O=C(CSc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(O)c(O)c1	1860799518	OSLKKMKZXLKETA-UHFFFAOYSA-N	419.527	5.863	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC	1865669271	KKHSRKMMXHCTLI-CJLVFECKSA-N	422.525	5.469	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865677458	KBQUIHACINTZGL-GHXNOFRVSA-N	403.162	5.481	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	1865680100	XGJWNXBVOMRIDU-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1	1867935710	ONDWBHIZKLMYBD-VWLOTQADSA-N	408.586	5.297	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(Oc2ccccc2)c1	1892121981	CMFPEGVOGIXSJO-UHFFFAOYSA-N	408.504	5.403	10	10	HKCE	
CCOc1ccc(C=C2N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1	2297453921	AYOXICMWRQJCCL-UHFFFAOYSA-N	400.453	5.367	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S	2323852372	YUGFZEURRFEEMR-AWEZNQCLSA-N	407.630	5.573	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332096483	MSIFFUAVBMIEEL-UHFFFAOYSA-N	415.924	5.236	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OC	2332124455	DKSOQPCIZMFAKF-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125601	UEKUUZZLNMMXJE-UHFFFAOYSA-N	412.917	5.722	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640976	HQHTTXMHRNJVAH-NJSLBKSFSA-N	416.315	5.301	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13643539	VNIPOXQTKAPXPQ-SGIRGMQISA-N	409.533	5.831	10	10	HKCE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2coc3ccc(Cl)cc23)cc1	39883268	JHUIAIQHZLLVOE-UHFFFAOYSA-N	422.912	5.517	10	10	HKCE	
CN1C(=O)/C(=C\c2cc(/N=N\c3cccc(C(F)(F)F)c3)ccc2O)SC1=S	103957059	RGXQUSFSUBFUMO-NSNKSWJYSA-N	423.441	5.657	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S	207332054	RZVJUMCICSNVAQ-JLDLUELGSA-N	421.584	5.633	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2Cl)cc1	526588424	VZCWDMPDLJNHCR-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
COc1ccc(N=Nc2c(C)nn(C(=O)c3sc4ccccc4c3Cl)c2C)cc1	1088644287	OIARAOIMDRGGGN-UHFFFAOYSA-N	424.913	6.481	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)c(F)c1	1860087194	GTWJRTVEWNGUSC-AWNIVKPZSA-N	402.274	5.677	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865654386	SRAMCJXDYWAXGW-JWGURIENSA-N	401.897	5.241	10	10	HKCE	
CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	1874152843	AYMVMRLFUJVDKO-QGZVFWFLSA-N	420.509	5.310	10	10	HKCE	
CCOc1ccccc1N=Nc1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	1903864107	WRLVHADVOGFZOZ-UHFFFAOYSA-N	405.483	5.412	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2ncc(C3CCCC3)c2I)cc1C	2070247107	RGUXCRXOBVXEBQ-CYBMUJFWSA-N	410.299	5.077	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	2296394102	WSEJSTGPFRWION-HNNXBMFYSA-N	418.522	5.246	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)C(=Cc2cccc(F)c2)SC1=S	2314926321	GNGKKNIYPYVGQC-UHFFFAOYSA-N	409.548	5.232	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC	2332106539	DDMLEINQHIFOAE-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
Cc1ccc(CNCc2sc(C)c(Br)c2C)c(O)c1Br	2380810260	VBLDKAOQWBMKMB-UHFFFAOYSA-N	419.182	5.194	10	10	HKCE	
Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c(C)c1	5698185	YHCBUNYEGNBNMR-HHHXNRCGSA-N	411.501	5.447	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)cc1	5837879	DZBFOKKMILMDNG-VGVGFMIESA-N	408.592	5.885	10	10	HKCE	
CC1CCN(c2cc(NCc3ccco3)c3c4c(onc24)-c2ccccc2C3=O)CC1	6737990	NJRFUZCNDDAYHZ-UHFFFAOYSA-N	413.477	5.481	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641356	KCTICKCUDMQUAY-GLDPYIMESA-N	409.526	5.574	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459202	PIBJICWAZQDVHB-AXHZCLLHSA-N	418.537	5.244	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468075	VXEPVSTWGXOTFG-CKFHNAJUSA-N	403.309	5.227	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1	102465206	MDFIRIVARLFKGE-FIWOTUIKSA-N	416.865	5.158	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226724948	ZDIWWFBUIWRWNG-QQNWGBJXSA-N	424.588	6.938	10	10	HKCE	
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	1084398610	CNAGYSGKWFYCKP-UHFFFAOYSA-N	400.482	6.339	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2CC)cc1OCC	1865666415	KCOWNCRYPUEKOL-CPNJWEJPSA-N	412.917	5.724	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1F	1865673786	WWIZCYZOHITKSP-SDNWHVSQSA-N	421.697	5.828	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915509315	MHWZLYUGKQWCKY-CRAIPNDOSA-N	403.364	5.043	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(N)c2Br)C2(C)CC2)cc1C	2080000337	SNZJIIMNGQYQPF-GOSISDBHSA-N	404.352	5.207	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H](C)c2cscc2Br)cc1Br	2186593897	WUZUKVYABLKGCQ-UWVGGRQHSA-N	418.198	5.490	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2296681976	PDFUIKBCDSPESJ-UHFFFAOYSA-N	405.500	5.590	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	2297297018	DXRWZBRPPBKZFZ-UHFFFAOYSA-N	409.529	6.464	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	2297470555	FWFJVHPGEJVBDT-UHFFFAOYSA-N	412.518	5.165	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4cccc5ccccc45)C3=O)c2c1	2321698381	ZEPQGBYIQDXYSH-UHFFFAOYSA-N	416.527	5.736	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332103862	FBPRGDXREZUANW-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2c2ccccc2)cc1OC	2332124604	VIUOQXATYJTUHV-UHFFFAOYSA-N	406.526	5.304	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332140062	XHNODZGPMIRNHT-UHFFFAOYSA-N	403.570	5.751	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1ccc(Cl)c(Cl)c1	1204358	ROFOODGXGMQWCL-QPEQYQDCSA-N	416.289	5.146	10	10	HKCE	
COc1cc(N2Cc3ccccc3C2)cc(OC)c1/N=N/c1ccc([N+](=O)[O-])cc1	4774683	XNICJOHZAYHVRF-WCWDXBQESA-N	404.426	5.548	10	10	HKCE	
COc1ccc(Cl)cc1NC(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C	9228701	KMGPRZNSJYTVGY-UHFFFAOYSA-N	401.869	5.217	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1	12403927	PPRRPBWYTHDAKP-UNOMPAQXSA-N	422.941	5.336	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)cc1	13635780	ZVJDJAWVFODXFI-PPJWLVRDSA-N	424.544	6.391	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(C)cc2)[C@@H]2CC=C[C@H]32)cc1	14458561	DCPYHEVVLKASTG-ZEVJAHDQSA-N	424.544	6.473	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14461800	BTNZLFHZXGZHQP-FBLLAGFSSA-N	415.581	5.595	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	14463516	ONCMGFAFLZOGCI-WRALFONMSA-N	404.554	5.403	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466056	GVJNTUJTGYRXFO-DRSNIGMVSA-N	416.974	5.197	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14466469	ZDHPGLYTTQKLRE-YZIHRLCOSA-N	401.937	6.788	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475492	WWYBUOMMUQEKFU-FBLLAGFSSA-N	412.533	5.433	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547086	SHWBITLIHFGLDY-VFCRVFHLSA-N	417.336	5.196	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCC1	14548071	SVSHSLAUPPJOCG-SBQVMTCPSA-N	424.544	5.998	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712690	OTPYVUFLUSPWQP-XFQAVAEZSA-N	415.364	6.350	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20748416	XZCUDOSWRGYLPL-UMEGOILYSA-N	410.517	6.164	10	10	HKCE	
COc1ccc(C2=C/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)cc1OC	33924638	AVGGPOZIIHWXKV-ZHZULCJRSA-N	408.453	5.992	10	10	HKCE	
Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3O)CC2)c1	34683202	FFIFZRPPOVNDKW-UHFFFAOYSA-N	418.512	5.151	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226685168	UBNBMMKKGYXJFR-OTPAQWSUSA-N	424.610	5.469	10	10	HKCE	
Cc1nn(-c2ccccc2)c(Cl)c1N=Nc1c(C)nn(-c2ccccc2)c1Cl	254760116	VGSUNZCKJGGZIZ-UHFFFAOYSA-N	411.296	6.397	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc2ccccc12	1865658409	HMKYHBZSMSAZGY-RCCKNPSSSA-N	419.322	6.189	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CC)cc1OCC	1865667907	WCFBKRWOYIGGGG-KNTRCKAVSA-N	407.514	5.246	10	10	HKCE	
Cc1cccc(O)c1Cn1nc(C(C)(C)C)c(C2CCC2)c1I	2079720616	QXLOAQBUBYKXHL-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C=O)c2Br)cc1C	2080055351	DLPRGQHMNVAICI-INIZCTEOSA-N	413.262	5.108	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	2321609717	QKNCQXGMTGQFPE-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2332113700	YLNZKQYPOSSFNN-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cccc1OC	2332117595	YOMVASSPNFQZBY-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CC1CCN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1	6737889	QUAZAMGIZICPQZ-UHFFFAOYSA-N	401.510	5.266	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1	9541292	SACYCUBACUGWEK-GMAHTHKFSA-N	421.338	5.686	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)NC)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642991	SVKQCPZMMDASIN-STTRJGPESA-N	421.544	6.001	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463562	RQLFDVQFDLWXAI-PNIUZAESSA-N	422.572	6.913	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14547801	UDHISPNQVSUJBI-UXWDXCIHSA-N	404.513	7.116	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)c1	14553581	OCTGVUZWDHKZAW-RQTOMXEWSA-N	414.936	6.727	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226663161	UNAMWONNGGPHSI-ZRCGQRJVSA-N	400.547	6.160	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	226722937	HXIMPCSTCDQPQI-ZRCGQRJVSA-N	406.957	6.229	10	10	HKCE	
CC[C@@H](Nc1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1O	311526057	QGHBBBSJBRNECY-OAQYLSRUSA-N	412.327	6.297	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526208502	LEUHYKMWHCZLKD-OAQYLSRUSA-N	424.953	5.833	10	10	HKCE	
CCOC(=O)CN(Cc1ccccc1)/N=N/c1ccc(OCc2ccccc2)cc1	1860485561	OQQSCFGVCWYRHR-OCEACIFDSA-N	403.482	5.330	10	10	HKCE	
CN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCCC2)cc1	1999538599	PYKAVYJWLGPCRC-XMMPIXPASA-N	423.601	5.375	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2Br)cc1C	2079954027	GPGIVSYOYRTKBK-KRWDZBQOSA-N	409.324	5.035	10	10	HKCE	
CC(C)(C)OC(=O)NCC1CCC(CNCc2cc(Cl)cc(Cl)c2O)CC1	2159114842	MSCRWGRNXLDQSH-UHFFFAOYSA-N	417.377	5.120	10	10	HKCE	
CSc1ncc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C23CCCCC3)s1	2284701166	YYZMJPUNRUCRSR-MRXNPFEDSA-N	411.637	5.057	10	10	HKCE	
COc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2ccc(C)cc2C)c1	2297300559	XQBAQXBLTPHRRO-UHFFFAOYSA-N	412.489	5.155	10	10	HKCE	
C[C@@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314837719	VYYJAIMUGHROQF-HNNXBMFYSA-N	424.591	5.213	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471305	RLDVQZFVKIXUHP-ZOCZFRKYSA-N	411.889	5.669	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21	14474204	GGZSGQUPAAJAKB-RLSLOFABSA-N	410.517	5.191	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363381	OMVQSYOWILAEKX-DHLKQENFSA-N	420.484	5.161	10	10	HKCE	
CCCCN(C)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21	97475170	AGDWQASCZMMXMS-KQWNVCNZSA-N	400.526	5.137	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226892598	JUGXVSPUJCHINS-YZIHRLCOSA-N	424.544	5.794	10	10	HKCE	
O=C(O)/C=C/c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	380891199	CJKLCGOPCGNADH-WYMLVPIESA-N	411.423	6.010	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	1865665909	SIEXBRXGVSWSSO-MOSHPQCFSA-N	423.299	5.837	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	1865668505	BIAIXMSIMZRODZ-ULJHMMPZSA-N	414.480	5.445	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2ncc(C3CCCCC3)c2I)cc1C	2070321019	DHCVXRCGINLIHQ-CQSZACIVSA-N	424.326	5.467	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=CNc2ccccc2Br)SC1=S	2296842944	IMTMTPVPHLHOAE-LBPRGKRZSA-N	419.369	5.324	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1Cl	2321591258	HNFSLGKRMYKVMQ-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106910	UVVKHUZDKOPIMT-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2CCC)cc1	2332114839	VZMJWAQNBTUEOO-UHFFFAOYSA-N	412.533	6.605	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(C(F)(F)F)=NN1c1ccccc1	2332116339	BIVMSWVUNJJNRE-UHFFFAOYSA-N	422.406	5.614	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332122201	FFZCVFUWKNVZBA-UHFFFAOYSA-N	410.945	5.957	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	5808393	UHNDJAXUINMSNA-QGOAFFKASA-N	402.972	5.592	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14462291	KRQQTDFXAODMNO-ZEVJAHDQSA-N	415.581	5.595	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14467315	QHHCUOGGJYFBNH-USBNGQNGSA-N	411.126	6.288	10	10	HKCE	
COc1cc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468599	NRZNAJUXFFXALJ-LRDNONRASA-N	404.293	5.754	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469844	UBWFCBDFUHQSOA-FBLLAGFSSA-N	411.501	5.879	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476435	WFHWCCPGJAAVQG-XLNZFTOWSA-N	414.461	5.706	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2	16247869	APQKGFKMZCXBEM-QCDXTXTGSA-N	409.656	5.182	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703700	RUOHBHHBWMBFQJ-FKCDAAJZSA-N	411.545	6.879	10	10	HKCE	
COCCCNC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1	33114833	FFHGKQXIZCLHAJ-UHFFFAOYSA-N	420.528	5.319	10	10	HKCE	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(C(F)(F)F)cc1	59396738	WEZNNLDAMHNHAF-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	103217922	FKOOCCZQGUDXHM-WQGACYEGSA-N	421.678	5.543	10	10	HKCE	
CCN(C)c1cccc(NC(=O)c2ccccc2SCc2occc2C(=O)OC)c1	110160882	UUVHRKKIFONLLC-UHFFFAOYSA-N	424.522	5.067	10	10	HKCE	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccccc1NCc1ccc(F)cc1	207369228	DRJJFEYJFALXPP-UYRXBGFRSA-N	405.856	6.073	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226898436	VLFIQQLCORMUOH-FHAGJXEFSA-N	412.533	5.900	10	10	HKCE	
Oc1cc(Br)ccc1CNCCc1cccc(OCc2ccccc2)c1	691389201	BHUAUYVKLILSDF-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
Oc1ccccc1CN(Cc1nc(O)c2c(-c3ccco3)csc2n1)C1CCCC1	732205003	XDPYLCOVYMKAFO-UHFFFAOYSA-N	421.522	5.307	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1Cc1ccccc1Cl	1858591253	HBCPSSKXXGXDMV-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865673789	WZQSZRPWNNLYOR-WZUFQYTHSA-N	421.152	5.620	10	10	HKCE	
CCc1ccc(CCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1	1865966744	KXYWECAPWKFPKJ-UHFFFAOYSA-N	407.535	5.644	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCc2ccc[nH]2)sc(C)c1-c1ccc(Cl)cc1	1866253132	YGCMZZVZXBXDTE-UHFFFAOYSA-N	416.930	5.453	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2095948569	CJBWQOLGKMJIAY-QZTJIDSGSA-N	417.435	6.561	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2sccc2Br)cc1Br	2156989753	MOQARQKWVAQQEQ-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CCN(CC)c1ccc([C@@H](O)c2scc(Br)c2Br)cc1	2163101045	XGLJPJQRYHWXEY-CQSZACIVSA-N	419.182	5.201	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCCCOc3cccc(C)c3)c2)SC1=S	2293128252	OLOLAWHMDHXQMT-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1Cc1ccccc1	2293488676	MINHTYCGLDVOQA-UHFFFAOYSA-N	417.555	5.667	10	10	HKCE	
CCC(C=C1Sc2ccc(OC)cc2N1CC)=C1SC(=S)N(CC)C1=O	2295165130	HBJHZLQRDYRFQY-UHFFFAOYSA-N	406.598	5.013	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)C1=Cc1ccc(Cl)cc1	2297308093	ZUIDRTDLTVYJKM-UHFFFAOYSA-N	411.885	5.006	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)c(OCC)c1	2297366869	BTKHOKZGHQMYEG-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CCN(CC)C(=Cc1cccc2c1C(=O)c1ccccc1C2=O)COc1ccccc1	2297469929	FSICVFKGBPOUHC-UHFFFAOYSA-N	411.501	5.224	10	10	HKCE	
COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S	2929918	DIQAEJLSDUAIGQ-KGENOOAVSA-N	422.575	5.095	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	5838122	OJMZBJKGZIPPBJ-QGOAFFKASA-N	402.972	5.592	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635386	CETOZJMDAAEUML-IMSXRSKXSA-N	402.538	5.584	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463043	VTAIQAXVQAPZJK-WRALFONMSA-N	400.566	6.263	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCCCCC1	14464599	XGGXAOCNXKAFPP-KSCKTEMCSA-N	422.572	6.683	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2	14473682	BZJUAIIRANBGNU-AXHZCLLHSA-N	418.518	5.020	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474267	LNXWNESPLKBGCX-CKRAVPEWSA-N	410.517	5.710	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548075	JKTPUXYIGQQANP-RQBNJVACSA-N	412.533	5.900	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)c1	14553584	YCYBMLGYIFPCPP-ZYLNGJIFSA-N	414.936	6.727	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20698865	YASOENKAOSBJHZ-LSCGWGKXSA-N	422.572	6.683	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C)cc2)C1=O	33810949	QJHLINOCXNEYHR-KIYPBSQKSA-N	422.575	5.171	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	100275833	JVLVPZQMLWAIIJ-HZHRSRAPSA-N	403.522	5.811	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2	144246348	KFBFFOIWLZCQTP-ZRCGQRJVSA-N	407.535	5.184	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226796067	ZVJDJAWVFODXFI-UMFSSWHCSA-N	424.544	6.391	10	10	HKCE	
COC(=O)CCN1CCCc2cc(N=Nc3ccc(Br)cc3)ccc21	254347264	GXCRESHOSPPEFS-UHFFFAOYSA-N	402.292	5.180	10	10	HKCE	
CC[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1O	379656505	PIKWCXTZCKTHLU-FPOVZHCZSA-N	417.391	5.250	10	10	HKCE	
CC[C@@H](NCC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	723948012	NXVBDEKLDIGCGJ-WIYYLYMNSA-N	417.391	5.108	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)SC1=S	1858591041	VFQBVWUOBDNJJT-FABDANFUSA-N	421.628	6.044	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)c1	1860480103	ADMIHFZRNOPXBB-CYYJNZCTSA-N	416.369	5.541	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2ccc(Cl)cc2Cl)cc1	1865665723	INKYRSMODXMKAI-VCHYOVAHSA-N	403.309	5.288	10	10	HKCE	
CN1C(=C2SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(Cl)cc21	2295181763	CDQGWFOZYKXOFI-UHFFFAOYSA-N	418.996	5.154	10	10	HKCE	
Cc1ccc(OCc2cccc3ccccc23)c(C=C2SC(=S)N(C)C2=O)c1	2297358865	PDHPCTWKFIKABM-UHFFFAOYSA-N	405.544	5.558	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134208	XGNWLDUWUXTIAR-UHFFFAOYSA-N	416.864	5.365	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(=O)O)cc1	2332139329	ULYIPHDKJUQGFC-UHFFFAOYSA-N	403.265	5.278	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H](c1ccc(N(C)C)cc1)n1nnc2ccccc21	5328690	QJAZOTWEKZIIGJ-AREMUKBSSA-N	408.505	5.297	10	10	HKCE	
O=[N+]([O-])c1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)ccc1Cl	6971276	WEVPXBSNJYPFKD-NVGCLXPQSA-N	405.679	5.837	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14460567	CSWWPAXILKNZPF-FBLLAGFSSA-N	417.936	6.624	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466644	WGIHOENDSAMYPB-DGCWBMGLSA-N	401.337	6.559	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467663	ZWZGCHSDCJKPGL-PNLZDCPESA-N	418.364	6.950	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14545326	XZCUDOSWRGYLPL-DFIYOIEZSA-N	410.517	6.164	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686028	VNIPOXQTKAPXPQ-RQTOMXEWSA-N	409.533	5.831	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697394	ZDIWWFBUIWRWNG-SKVJQKLOSA-N	424.588	6.938	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cc(Cl)cc(Cl)c3)c3cccs3)c(O)c2n1	54621577	IHINIKPZRQWVEE-HXUWFJFHSA-N	415.345	6.819	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	250576633	PCWHGFLIHQIKLL-DPLHUUCSSA-N	410.583	5.323	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1Oc1cccnc1	256017923	NYCZUNJKGVSLGF-UHFFFAOYSA-N	413.397	5.731	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1	1860076520	HEGALOVORMTGSR-VGOFMYFVSA-N	419.984	5.380	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	1865665620	DFXZFXZZBSPEHN-ZSOIEALJSA-N	415.198	5.351	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cccc1OC	1865668537	DGISZTHUNVAPNL-CJLVFECKSA-N	420.553	5.683	10	10	HKCE	
O=C(CCC1(c2ccccc2)CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866228700	HKSXODZHHYUOBW-UHFFFAOYSA-N	423.512	5.693	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C	1874140921	VOZSTIPYYHGGIL-ABVOBTCJSA-N	406.570	5.437	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H](O)CC)cc1Br	1915396312	BJUZRUJDGMPRER-YLJYHZDGSA-N	419.407	5.287	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2034701642	DHRKMVRVZMWBRM-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
CC(C)NCc1ccc(N(C)C2CC(OCc3ccccc3)C2)cc1Br	2100214337	PMKMTCYDSUZSMF-UHFFFAOYSA-N	417.391	5.131	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S	2293677361	DSIHFKDLUMTZQE-UHFFFAOYSA-N	407.919	5.279	10	10	HKCE	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C=C(c3ccc(C)cc3)OC2=O)o1	2313510578	SQNOVBQXDGTWDF-UHFFFAOYSA-N	403.390	5.153	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332099767	COKZTVICZIUVJC-UHFFFAOYSA-N	414.936	6.472	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147594	MSZOSFJYIKPLTB-UHFFFAOYSA-N	424.125	5.558	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(F)cc2Br)c(O)c1Br	2380750442	WFYQUQUWTNPEPG-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460626	DGIPOMBVNPBQQH-ZOCZFRKYSA-N	401.337	6.559	10	10	HKCE	
CCN(CC)c1ccc(/N=N/C2=N[C@H](c3ccccc3)N(Cc3ccccc3)N2)cc1	215827951	WZKWDRRZDWTVCQ-ZGGJALHESA-N	412.541	5.692	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1O	226683064	IIHOTINARXOJBR-IMWIBFENSA-N	418.537	5.290	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226741264	QOGDSNMFKOEYEO-OHUGHZGNSA-N	406.526	5.293	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	251336637	JQGRMXPUZQUUCM-VAJHCWEMSA-N	412.533	5.900	10	10	HKCE	
C[C@@H](NCCCCCNC(=O)OCc1ccccc1)c1ccc2ccccc2c1O	397946490	XCVZWTLRAAQRGB-LJQANCHMSA-N	406.526	5.293	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526323439	OZRMEQXOANSMKW-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
CC(C)[n+]1c(C=Cc2ccc(N(C)C)cc2)cc(-c2ccccc2)cc1-c1ccccc1	1857878004	CHNJMAUXKRTNAN-UHFFFAOYSA-N	419.592	7.125	10	10	HKCE	
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859616562	QLZQULLZDZBHSM-UHFFFAOYSA-N	417.464	5.310	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	1860086574	SEXOCVUCSYNDQK-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865658507	JRIABRSXTMMIAM-ULJHMMPZSA-N	408.888	6.328	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2034823604	WYNLJKYVTAGHEY-DLBZAZTESA-N	403.408	6.171	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1	2313671279	YFFUNDMSGGKVTR-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
COc1ccc(OCCN2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1	2323719003	BGWADOZEXBKAEZ-UHFFFAOYSA-N	413.564	5.099	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCC	2323790924	VDYKHFNOBQEYSU-GOEBONIOSA-N	405.585	5.264	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2F)cc1	2332096556	UXWRPPYZJSGFRE-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3cccc4ccccc34)N=C2CC)cccc1OC	2332118509	SVMYZHXWXSVUFR-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1OC	2332124467	FJSRDTLRPGTLKW-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
O=[N+]([O-])c1ccc2nc(C=C(O)c3ccccc3)c(C=C(O)c3ccccc3)nc2c1	2333201093	WRLJXZCHZYWTBM-UHFFFAOYSA-N	411.417	5.650	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468585	AJYVDNBOQVBNSS-MDOVXXIYSA-N	414.299	5.210	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469639	XWCAEOWALJZDIE-FXSPECFOSA-N	412.489	6.309	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476339	GRFCPPKMBKOZSX-UXWDXCIHSA-N	424.544	6.075	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21)N1CCCCCC1	14478169	PUWUFPAPGHXULS-IXFSTUDKSA-N	417.509	5.438	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479673	SDBMTHPUNUVJGX-JXQFQVJHSA-N	406.526	5.060	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20687240	CJXMEAGHMRBKNC-PLXFJCCSSA-N	415.581	5.595	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21)N1CCCC1	20706019	QSHKRZILIHYESH-JIGPKXGUSA-N	423.900	5.311	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1OC	53363059	QNWYVDPTFQSGQG-YKSBVNFPSA-N	422.912	5.285	10	10	HKCE	
Cc1cc(C)c(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c(C)c1	54621071	OSQLZMQNMKDLCB-XMMPIXPASA-N	400.497	6.515	10	10	HKCE	
CCOc1ccc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)cc1	59381980	ILNPEAKKSALHIU-XMMPIXPASA-N	413.521	5.607	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccc(F)cc1	59382308	XUJJGQSWIWATTN-ZSOIEALJSA-N	413.326	5.403	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226679862	QBORNAJWSJUHFN-JQYIIUTOSA-N	417.597	5.889	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@H]21	250880090	UNAMWONNGGPHSI-TXTKFYIRSA-N	400.547	6.160	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c1	1860085800	JXHBCSMICVKGIL-CPNJWEJPSA-N	411.548	5.358	10	10	HKCE	
CC[C@@H](C)c1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872741496	RXDUQJLWYBAHNT-QGZVFWFLSA-N	412.537	6.062	10	10	HKCE	
O=C1C(=Cc2ccccc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2318756491	NGTBZQRFDBNDAW-UHFFFAOYSA-N	403.528	5.671	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332114757	NOGQVANQXIDWSO-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)CC1	2315693	GPDKJDQTCPOKSM-XLNRJJMWSA-N	419.594	5.085	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])s1	10910492	AEGBGASKOVBVAZ-OAQYLSRUSA-N	404.447	5.035	10	10	HKCE	
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	14004278	BREIPLSBODWXIB-UURXTDFOSA-N	400.507	5.937	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461143	PWHSJBPBOSXYPK-CKJXQJPGSA-N	416.315	5.006	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccc(C)c2)[C@@H]2CC=C[C@H]32)cc1	14480132	VDAQZOPZRCPGFG-ZEVJAHDQSA-N	424.544	6.473	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545104	DIOQDDZAMMVPOX-PBPSECFOSA-N	405.929	6.386	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699626	RLEPVHWGFAXGLL-JZJXAQOMSA-N	408.929	5.075	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccc(C)c2)[C@H]2CC=C[C@@H]32)cc1	20716588	VDAQZOPZRCPGFG-MVERNJQCSA-N	424.544	6.473	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@@H]21	20720147	OLMWBKNZHDHCIY-COKJOHSESA-N	411.549	6.057	10	10	HKCE	
CC(C)c1nc(CO)n(Cc2ccc(N)cc2)c1Sc1cc(Cl)cc(Cl)c1	32025132	ZGDPGKDUYBCMLP-UHFFFAOYSA-N	422.381	5.587	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1	39436291	OYQSAWZINGOLTK-LCLWPZTBSA-N	402.925	5.745	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620066	MGOJGESHJPXLCW-QFIPXVFZSA-N	418.518	5.770	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	59397116	ISRQLCCSJHUDRS-GQVHDAKQSA-N	401.384	5.464	10	10	HKCE	
CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)c1	108658400	IYJGXKLPAQYXPQ-UHFFFAOYSA-N	407.489	5.567	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	251454881	FGCZVXBUIDVTPJ-RQTOMXEWSA-N	400.566	6.226	10	10	HKCE	
CCN(CC)P(=NN=Nc1nc2ccccc2s1)(N(CC)CC)N(CC)CC	263621580	LQOCTYKKZOUFJX-UHFFFAOYSA-N	423.571	6.267	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1	526559774	HOXJRDMBVYODJR-HXUWFJFHSA-N	412.461	5.150	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc(N=Nc2cc(Cl)cc(Cl)c2O)cc1	1083953714	WKQCHEIMHNPETE-UHFFFAOYSA-N	402.303	5.145	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860084470	ZVGXMJBVKBRXOO-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)ccc1Br	1860087360	RWLGQAGBPMDDQD-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	1865672974	PWUXIVRZJOAJIY-SXGWCWSVSA-N	403.791	5.165	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccccc2F)N=C1c1ccccc1	1865674484	IDXGWTQEHSNLKQ-XLNRJJMWSA-N	414.480	5.445	10	10	HKCE	
CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679335	HZLBDWXKQOIXRL-JJIBRWJFSA-N	412.489	5.470	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2034821736	IDFWEGVDXSIDQK-SJORKVTESA-N	403.408	6.171	10	10	HKCE	
COc1ccc(O)c([C@@H](C)n2nc(C3CCCCC3)cc2C(=O)OC(C)(C)C)c1	2069903347	YZLXACWFYSMNPT-OAHLLOKOSA-N	400.519	5.210	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCC12CCC(Nc1c(N)cccc1Br)CC2	2111606583	OFAWEMOKZCKCOX-UHFFFAOYSA-N	424.383	5.156	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1	2297297014	CUKDMYHXBNLVLU-UHFFFAOYSA-N	403.481	6.320	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1	2297469551	QZTBVIHVLXPFAO-UHFFFAOYSA-N	419.554	5.068	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S	2321672221	NBNJUNIXXUADQX-UHFFFAOYSA-N	403.956	5.878	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc(F)cc3F)SC2=S)cc1	2321703743	GIKOROMDPINFNK-UHFFFAOYSA-N	405.491	5.405	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OCC	2332114139	WRVOAKLYWARPSI-UHFFFAOYSA-N	420.553	6.159	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c1	2332119134	HNNKESMKYVUEFD-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c2ccccc21	2332128917	QZEFUXMYBIYLII-UHFFFAOYSA-N	417.818	5.176	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccc(OC)cc2)cc1	2332139515	OZTYZCWLFNLSSB-UHFFFAOYSA-N	414.480	5.227	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640820	IOSWTUMEAPDMRY-BSRJHKFKSA-N	423.509	5.106	10	10	HKCE	
Cc1cc(/C=C2/C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1	14130434	KUZZJIPHZHOKAR-VXLYETTFSA-N	416.830	6.259	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456903	QCBFEJJPBXXSJE-LZCXECNNSA-N	414.574	6.454	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458096	HUGTUZHZAMYDRO-MASGSYHESA-N	424.610	5.515	10	10	HKCE	
Clc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14465514	XBXXTPJIYUGYFK-JCYRPKCISA-N	407.985	7.516	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CC=C[C@H]32)CC1	14471989	ACPFPOIDHFJMQG-MZKRTTBSSA-N	417.509	5.293	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546138	OSLXBQQGKMCOIV-RLSLOFABSA-N	410.517	5.452	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)ccc1O	20692849	IZUIAUYTMUFVJT-IECBHUPTSA-N	412.489	5.480	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	59232602	UTZHVIIZMMDASD-JCMHNJIXSA-N	412.489	5.155	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1Cl	206388844	BMWGPASLZDRPBW-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	586482749	ZCKJJCQKJRUZLV-XFQAVAEZSA-N	405.494	5.471	10	10	HKCE	
O=C(Cc1cccc2ccccc12)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084267538	NEGUGNVBBDZUFZ-UHFFFAOYSA-N	424.529	6.311	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1C	1084313361	ARQWYGFATCCZTA-CXUHLZMHSA-N	423.390	5.881	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	1860086461	JCVQIELQLBPPAA-RCCKNPSSSA-N	418.543	5.845	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	1860086591	UACXHTHQNOTHLP-SFQUDFHCSA-N	423.481	5.900	10	10	HKCE	
C[C@H](Nc1ccc(Cl)c(I)c1Cl)c1ccc(O)cc1O	2150347400	ZXVGNPGDYRXHJA-ZETCQYMHSA-N	424.065	5.182	10	10	HKCE	
COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)N=C2C)c1C	2294061236	NQPSIHADTOPIAH-UHFFFAOYSA-N	419.912	5.562	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	2296063133	KAJOMFIHBWQVPB-UHFFFAOYSA-N	407.322	5.710	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2313577383	LGBMOMLHFYWXMX-UHFFFAOYSA-N	403.522	5.165	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139963	MTFRKAUBPHHYDH-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CC[C@@H](C)C2	920924	RMIDHPFIGNCEPP-MRXNPFEDSA-N	421.566	5.531	10	10	HKCE	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1	2682680	ICSJZAWNONFROG-LDADJPATSA-N	403.956	6.134	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468942	QFJTUWSYRVNWSM-UZINWLIJSA-N	421.537	5.872	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552043	PBOZBTCOYAPXQS-SXWKCWPCSA-N	404.579	5.861	10	10	HKCE	
c1ccc(/N=N/c2ccc3nn(-c4ccccc4)nc3c2/N=N/c2ccccc2)cc1	15769703	VSDSZSFBQZLBRR-NBHCHVEOSA-N	403.449	7.251	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c(O)c1	20682231	PLAPINMFXAVWHP-IPVFLDMMSA-N	405.538	6.274	10	10	HKCE	
Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)oc2c1C	38643294	QFGVGSDLULALRM-QFIPXVFZSA-N	420.553	5.245	10	10	HKCE	
COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1	53363630	SMQZVYPOGFLROL-YKSBVNFPSA-N	422.912	5.285	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53363801	JHIXXUCNRBZRAU-RDGATRHJSA-N	420.484	5.161	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(Cl)c3)c3cccnc3)c(O)c2n1	54621849	KGLNXGVDAAPSNV-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
Cc1ccc([C@@](Br)(c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1	105418836	UVOGGALQXAIKKJ-QHCPKHFHSA-N	405.291	5.329	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2ccc(C)cc2)cc1	205965862	CNPZJPLGLORFKZ-HAVVHWLPSA-N	415.468	5.280	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226872995	KABMSHVAWOAWIJ-LOYIFYEOSA-N	415.533	6.090	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@@H]2C=CC[C@@H]21	226886134	DPZXAUGVJRXORF-DVBNTOJCSA-N	424.544	5.911	10	10	HKCE	
Cc1cc(=O)c(OCc2ccc(C(C)(C)C)cc2)cn1CCCOc1ccc(N)cc1	1857916399	SGCXTWJYGWGDLR-UHFFFAOYSA-N	420.553	5.085	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc1	1860073425	DTQWQUJLZUYOAP-XMHGGMMESA-N	414.621	5.661	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	1865664536	RJULVBGZZBCKBN-UNOMPAQXSA-N	414.814	5.837	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OC)c1OCC	1865670039	FLYHUMODDNBINX-XMHGGMMESA-N	412.917	5.329	10	10	HKCE	
CC(C)n1ccc2c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21	1874179746	NQNSLLAHGHFHQV-UHFFFAOYSA-N	408.457	5.250	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915451453	UVHULLMOPVFSJT-MAUKXSAKSA-N	404.348	5.077	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)cc1C	2079985183	JZWZXDQUXFNDJS-IBGZPJMESA-N	419.363	5.684	10	10	HKCE	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1	2296398060	QQIRZVDXWROZPZ-INIZCTEOSA-N	414.461	5.127	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S	2313533102	YFCMAZQLVWQCTQ-UHFFFAOYSA-N	403.916	5.682	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1Cc1ccccc1Cl	2318683873	KDKUQMANTZCITI-UHFFFAOYSA-N	424.772	5.504	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O	2332132422	IPRROMAZFZHFOS-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141771	XRBDDFINBKKKNA-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc(Cl)c1	5338047	KKERNZFWTVPSTE-IZBJGVDFSA-N	402.925	5.745	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14460903	XQCDBINUBYEAEZ-PSVSLLHZSA-N	405.223	5.029	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476423	NHHMHFVAOQMJHW-HOOSLVGPSA-N	414.461	5.706	10	10	HKCE	
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14833912	ZURLIUNPVGOQJT-HCBSBNFZSA-N	420.925	6.282	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21)N1CCCCCC1	20708275	AEULOSWULRQMDK-ONBPZOJHSA-N	422.572	6.683	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3F)N2)c1O	20764381	HKORHKPFAIKETH-RDGATRHJSA-N	420.484	5.161	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1OC	53363058	QNWYVDPTFQSGQG-GBXCKJPGSA-N	422.912	5.285	10	10	HKCE	
O=C1c2ccccc2N[C@H](c2cc(Br)ccc2O)N1c1ccc(F)cc1	197463964	LVNANEWQQOGAKB-IBGZPJMESA-N	413.246	5.065	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(/N=N\c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C	215685690	NNFPJXDINMZRRM-MEAZOCMSSA-N	409.490	6.081	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226855728	NROZZHJTSDCNTP-SLSDLSHTSA-N	400.566	6.226	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	303399279	WNMYDUCPZBQAIJ-UHFFFAOYSA-N	412.499	6.412	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(C)c(Br)c2)cc1OCC	1860486972	KBDZPVLIIXUVBK-UHFFFAOYSA-N	406.324	5.577	10	10	HKCE	
CCN1CCc2cc([C@H](CCN(Cc3ccccc3)C(=O)OC(C)(C)C)NC)ccc21	1999527001	HRAXUVFRBHWXKY-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1	2296398061	QQIRZVDXWROZPZ-MRXNPFEDSA-N	414.461	5.127	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1C	2313503208	ARQWYGFATCCZTA-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683367	YJFKGDQWJCPQHG-UHFFFAOYSA-N	405.860	5.616	10	10	HKCE	
CCN1/C(=C/C=C2/SC(=S)N(C)C2=O)Sc2ccc(-c3ccccc3)cc21	1832550	YEZFJUVGGGOIAT-MZTKBTAGSA-N	410.589	5.501	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	5881194	MEIHFTWOUFKLEV-YSHXLHDJSA-N	414.292	6.815	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455964	AYJDDMJPUYMTDE-NHCICSSKSA-N	414.574	6.155	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456082	OWVAHUMBGXRRQI-SGIRGMQISA-N	401.575	6.895	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458141	DWFMFZHNXOFTSW-VMODYCNZSA-N	416.609	6.701	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458235	WERMTTDDNCGGIC-WRALFONMSA-N	422.594	5.433	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464458	SBEKMBZEFMXAST-UWDQQESISA-N	412.533	5.433	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465722	VLOOWOKFVYTCRE-IMSXRSKXSA-N	423.988	5.238	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466984	DEGMBMUBIWSBQD-AUSJPIAWSA-N	403.309	5.508	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14548262	PEINXZXFRYNTRD-PPWJXXJBSA-N	413.517	5.930	10	10	HKCE	
Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3O)CC2)cc1	34683565	JITHSLQMQVORKD-UHFFFAOYSA-N	418.512	5.151	10	10	HKCE	
Oc1c([C@@H](Nc2ccccc2C(F)(F)F)c2cccs2)ccc2cccnc12	54619551	QGVXKRAUOVTVHJ-LJQANCHMSA-N	400.425	6.222	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S	210500197	DAZCHUWZCWGEKV-SAPNQHFASA-N	409.548	5.232	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C	526222934	BPCQNVKHQQAQNH-DEOSSOPVSA-N	416.496	5.566	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OC	1084633143	JZJPCDAEWCDTBU-LDADJPATSA-N	419.955	5.543	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858588731	WUQBENFRABTNAE-FQKDRVBESA-N	412.407	6.019	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085893	RUKIFFCLZAWEGZ-XSFVSMFZSA-N	406.507	5.217	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865669080	ACSRVWXCKMDVDI-KQWNVCNZSA-N	416.908	5.569	10	10	HKCE	
CCNCc1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	1892553896	DTHYMFPVTQZJHW-JOCHJYFZSA-N	417.391	5.134	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNCCc1cc(Cl)sc1Cl	2195420743	MDEMRKMESXCOKY-UHFFFAOYSA-N	415.567	5.509	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCc2c(Cl)cccc2Cl)SC1=S	2293638418	ZWTFHXMHKBCRPB-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1C1CCCCC1	2297350448	KXIPNMHUKQRCDM-UHFFFAOYSA-N	421.946	6.273	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(C2CCCCCCCCCCC2)C1=O	2318684173	SLIHUEFTBIMMJD-UHFFFAOYSA-N	401.641	6.870	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(C(F)(F)F)cc2Cl)C1=O	2321629384	WLCAYRMSEMJGHZ-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)C=Cc3ccc(Br)cc3)cc2)cc1	2329605665	MZXXEJRSDWRTCX-UHFFFAOYSA-N	407.311	5.274	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106891	SHJFZIYLRSUMER-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCN1N=C(c2ccccc2)C(=Cc2ccc(N(CC)Cc3ccccc3)cc2)C1=O	2332139907	HEGOGAVKSMINNB-UHFFFAOYSA-N	423.560	5.753	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14455975	VUHRDWAXUASMPY-RFWXGWTQSA-N	406.595	6.288	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457839	CEKVMWCQEPDYNA-MRCUYLHHSA-N	414.593	6.501	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469738	YVJGGHQBXZAUFF-UMFSSWHCSA-N	411.501	5.879	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477283	VHGVTAPGPHFSSO-VBURHUQHSA-N	415.364	6.805	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477798	UFTBGIXDRLKDFY-CDSQMECRSA-N	415.364	6.348	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548712	FOXUOLUOBSOVLU-TUDHKMOQSA-N	400.547	6.066	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@@H]32)CC1	20708322	QTBBCVAUFWOKTM-JQYIIUTOSA-N	423.560	5.054	10	10	HKCE	
C[C@H]1c2cc(-c3ccccc3)ccc2CCN1Cc1cc(Cl)c2cccnc2c1O	31572847	VCKCSUDUKVCFAG-KRWDZBQOSA-N	414.936	6.380	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)c1	34139061	RKXWVNLHKFBHJU-ZHZULCJRSA-N	415.876	5.598	10	10	HKCE	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccc(OC)cc4)OC3=O)o2)cc1	59425899	ZUXIUEUISHCZPB-RGEXLXHISA-N	416.429	5.113	10	10	HKCE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1	207044193	KCOUSRUCKKPPIW-UVTDQMKNSA-N	419.500	5.141	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226683604	MYYBWSCEISFWAM-QYXIYQDXSA-N	414.574	6.155	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226709659	DZKILBOXYMCIQS-SLSDLSHTSA-N	402.538	5.109	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226737245	GZXFHBKBZPNCEQ-LPMFXHHGSA-N	404.293	5.702	10	10	HKCE	
Nc1ccc(N(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1	244368253	XXJARHDMKQIFCU-UHFFFAOYSA-N	405.807	6.311	10	10	HKCE	
CC[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	312308148	YMUXBOCYXQUWMS-HXUWFJFHSA-N	417.377	5.216	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C/C(=O)O)c(Br)c1	385244800	HHGUFJLJZYVCEK-PABFRNLHSA-N	400.316	5.352	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC	1865669864	ZZYOAFJPLQEOIE-DEDYPNTBSA-N	412.917	5.724	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)ccc3[nH]2)cc1	1873509081	WFTDWWCRGMUCLJ-QZTJIDSGSA-N	404.558	5.194	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)c(Cl)c1	1891362448	KRLLRXBBNWLDIR-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
Cc1cccc(O)c1Cn1nc(C2CCC2)c(C2CCC2)c1I	2079701875	KGAVJRBQTHNLMX-UHFFFAOYSA-N	422.310	5.085	10	10	HKCE	
CC(C)(C)c1c(C2CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079769411	UPYZDROBOAJOSE-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2294082138	HFLWIOOGECWVSL-CYBMUJFWSA-N	416.304	5.427	10	10	HKCE	
CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683216	USECVMREFCZHPF-UHFFFAOYSA-N	401.897	5.785	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321708985	JCOJJEVWMGGTOZ-UHFFFAOYSA-N	424.497	5.356	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1ccccc1Cl	2332099769	CPTWVQHHJILBPE-UHFFFAOYSA-N	414.814	5.837	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c(OC)c1	2332140164	HHWNCONHNMDAKB-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1	2332148298	NWIUIIDJFIMMEM-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(C)s1)[C@H]1CC=C[C@H]21)c1ccccc1	14456819	NQLYXFKOBCZFHO-FZOAFFARSA-N	414.574	6.550	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14462293	KRQQTDFXAODMNO-JCYRPKCISA-N	415.581	5.595	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462373	ICGOVVJSQCOORU-RQTOMXEWSA-N	403.570	5.499	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	14477987	AFYWQWGRZIXZKP-IUKKYPGJSA-N	411.461	5.674	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@H]2C=CC[C@@H]21	14544493	OLLQDUWOZQUONA-BCQCSXDESA-N	424.544	5.911	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(OC)c1)[C@@H]1CC=C[C@H]21)c1ccccc1	14550571	HWKPQQGVLXZQAM-PPJWLVRDSA-N	424.544	6.188	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14550891	RWBGKWLTDAPANR-MIZPHKNDSA-N	417.509	5.438	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3F)N2)c1O	20764369	HKORHKPFAIKETH-WIOPSUGQSA-N	420.484	5.161	10	10	HKCE	
Cn1c2ccccc2c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc21	34718984	WJJKXXPHOFNOOL-KGENOOAVSA-N	400.528	5.737	10	10	HKCE	
Cc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)coc2c1	39884003	VRJIOBNTZJNXGA-UHFFFAOYSA-N	402.494	5.172	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NC(=S)N[C@@H]3c2ccc(N(C)C)cc2)cc1	105440404	SFNLJAGCGHRUKI-ILZRLUQISA-N	418.610	5.073	10	10	HKCE	
S=C(NCc1ncccc1Br)Nc1ccc(Nc2ccccc2)cc1	242836560	FTMPTZGCWJLLMI-UHFFFAOYSA-N	413.344	5.074	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CC)c(Br)c1	387304606	ZCWFGXXRSMDCCJ-ZWKOTPCHSA-N	403.408	6.315	10	10	HKCE	
O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2c3c(cccc13)CC2	1081120333	NKBAXTDMWKMBRV-UHFFFAOYSA-N	413.502	6.155	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1F	1865664352	NAIREMVMXUSSSJ-AQTBWJFISA-N	408.835	5.448	10	10	HKCE	
CCCCC1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1	1866011058	PIBMJCXBSVZCPC-GCKKQHTFSA-N	413.650	5.392	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1cccc(NCc2cc(Br)ccc2O)c1	2040722384	XRGINRGFDXJFQS-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1	2173443022	HSWGHEHBJYGUEK-LJQANCHMSA-N	405.369	5.376	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1C	2296733651	UJSLZOXWIPDPEP-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	2323888672	BHGCSYYYEBOUJW-UHFFFAOYSA-N	407.482	5.669	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(N=Nc2ccc(OCc3ccccc3)cc2)CC1	2330221750	FQKVBTHYZTXCQU-UHFFFAOYSA-N	410.518	5.207	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	2332143688	YVOIHPMOQPCYBV-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C4CCCCC4)C(=S)N3C)c2C)cc1	3667679	NOGZJHUXXFLFJP-PXLXIMEGSA-N	407.583	5.135	10	10	HKCE	
CCOc1ccc(N2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)cc1	9153853	DPULTCVFRLZYFZ-UHFFFAOYSA-N	413.473	5.524	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OC(C)C)cc4[C@@H]4C=CC[C@H]43)ccc21	20685130	GYRTUHKLYZRKCX-NWKHUOOYSA-N	422.572	7.428	10	10	HKCE	
CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1	53364837	KZCJJZRQAGPNKE-RCZVLFRGSA-N	402.494	5.022	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c(C)c1	59382211	AHYPMECUTCEFOH-CXUHLZMHSA-N	423.390	5.881	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	102446742	MUNNEBSRRLZLGD-FRYOISGKSA-N	417.321	5.178	10	10	HKCE	
CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1	105765074	KWDXTJACJVKUQR-UHFFFAOYSA-N	407.489	5.567	10	10	HKCE	
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1	245297621	VGZBYWAKZZXLHH-RXVVDRJESA-N	412.898	5.358	10	10	HKCE	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	250329254	CRTFPBNLIYZITM-SAFLGMMZSA-N	408.545	7.040	10	10	HKCE	
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1Nc1ccc(N=Nc2ccccc2)cc1	256018235	COYHTKWJVOHATG-GOSISDBHSA-N	419.445	5.135	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	384046268	OLNJWBNATXOVTE-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Br)c1O)c1ccccc1Br	708101043	YKTFPAYWOZEMRQ-SECBINFHSA-N	419.544	5.421	10	10	HKCE	
COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084057168	NPESTFOXCZXAEV-YIETZVBVSA-N	416.506	5.637	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)cc(OC)c1OC	1858586386	DKPYJVXSGGXCLO-QGOAFFKASA-N	421.584	5.027	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)c1	1865668694	KXNUVFNOSOPVCY-BOPFTXTBSA-N	408.807	5.477	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CC)cc1OC	1865669632	SKTAHCIFCKWEQT-HMMYKYKNSA-N	400.478	5.443	10	10	HKCE	
COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1	1865680056	VBZZCLUTCBJNIP-PXLXIMEGSA-N	418.880	5.192	10	10	HKCE	
COc1ccc(Cl)cc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872739671	YJHBAVSEPYSWEF-UHFFFAOYSA-N	420.900	5.210	10	10	HKCE	
COc1ccc(-c2cccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1	1892116518	UDSLLTKLHRNLSU-UHFFFAOYSA-N	422.531	5.287	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2Br)cc1C	2080030054	IGCFWKQWPOFHCP-SFHVURJKSA-N	420.395	5.114	10	10	HKCE	
COCCCCN(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	2095868920	VJBSDHXISSVFSM-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C=C(c2ccc(Br)cc2)OC1=O	2297556137	FNGWTUDYERISJD-UHFFFAOYSA-N	407.263	5.592	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1OC	2318756621	OSVBUZYKBKSKKW-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1c1ccc(F)cc1	2321609747	ATTKEXGKOKNSQI-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	2321647208	ZGCRGZSPKOSAII-UHFFFAOYSA-N	421.543	5.738	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)[C@H](C)c2cccs2)c(O)c1Br	2327612795	PBUNBAYXOYQESF-MRXNPFEDSA-N	416.384	6.288	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2cccc3ccccc23)N=C1C(F)(F)F	2332133245	RVMOHQOOTDLWFI-UHFFFAOYSA-N	424.422	5.977	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140230	MXAZBURPRXDUMC-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12	3648716	VDLOYHPPGYEXEA-DHZHZOJOSA-N	405.929	5.839	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O	14459934	XWVGXUCYXGCCLN-UZINWLIJSA-N	413.517	5.849	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	14466975	UPYUCWQYZOKSRW-BWACUDIHSA-N	411.126	6.288	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471306	RLDVQZFVKIXUHP-MRUHUIDDSA-N	411.889	5.669	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	14477986	AFYWQWGRZIXZKP-BSRJHKFKSA-N	411.461	5.674	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2C)[C@H]2CC=C[C@H]32)cc1C	14478849	CMAZSZJPDWIKJC-FXSPECFOSA-N	408.545	6.691	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544360	SZPKUOCVJFGKJQ-IPVFLDMMSA-N	401.506	5.700	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c1	14550387	UBDWBIAJIHJVQM-YZUZCNPQSA-N	402.538	5.394	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710504	WFHWCCPGJAAVQG-IMWIBFENSA-N	414.461	5.706	10	10	HKCE	
O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(NCCO)c3ccccc23)c([N+](=O)[O-])c1	606508057	DQMYXIPCBKSDCB-UHFFFAOYSA-N	415.793	5.129	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc3c2)c1	1859444405	JZMRVJWGSPPPEA-UHFFFAOYSA-N	412.537	5.846	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911284	VWNZHNZSZRQYPE-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
CCOc1c(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cccc1OC	1865670429	ZDSTZSQTYHSNHR-PTNGSMBKSA-N	424.806	5.096	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	1865679209	AXVXIIHRTZHNSU-JXAWBTAJSA-N	420.871	5.318	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679380	KSBPRIGNNSTEGD-HZHRSRAPSA-N	416.908	5.721	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1-c1ccccc1	1866087896	OKRFAWLDIBFTIC-UHFFFAOYSA-N	405.519	5.641	10	10	HKCE	
CC(C)Oc1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872739826	HCBYSPBZBOSINF-UHFFFAOYSA-N	414.509	5.335	10	10	HKCE	
CCN(CC)c1cccc(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c1	1872841092	UWTQJNWYKYUQCK-UHFFFAOYSA-N	417.553	5.430	10	10	HKCE	
CCCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	1874151049	CTHRCJPKIGBGGK-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CO)c2Br)C2(C)CC2)cc1C	2079992991	LWXRIQVDGUPPEO-IBGZPJMESA-N	419.363	5.117	10	10	HKCE	
O=C1C(=CNc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C1CCCCC1	2296842933	CHFPEXYANAGITR-UHFFFAOYSA-N	420.909	5.805	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1	2313510602	UZFHFWJGMIFHJS-UHFFFAOYSA-N	403.390	5.153	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccccc1C(F)(F)F	2321672180	BXUXSEDDSKJFMH-UHFFFAOYSA-N	416.427	5.081	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S	2321692159	KEZFIVIOQWXUHI-UHFFFAOYSA-N	407.919	5.672	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13636464	LQKJSTIKJIWKQY-QONNDPFASA-N	424.544	6.093	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463373	QKPUEGCSEQYURS-ZMZRDZHMSA-N	424.610	5.713	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471202	VPHPKXLYXZBBCT-CKJXQJPGSA-N	414.889	5.490	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14480722	JJPCVRKMLPGXJB-PPJWLVRDSA-N	424.544	5.842	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20687347	KAEXFUMMHDOLAT-OASJLCFRSA-N	423.560	5.856	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21)C1CCCCC1	20754512	XDZPCMUZVWSPLO-ZFGGDYGUSA-N	404.529	6.057	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	586482746	ZCKJJCQKJRUZLV-WHSLLNHNSA-N	405.494	5.471	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)c(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911205	TZTYGHCSFVYULG-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)c1	1865668899	WGIYERFNXVGASN-ATVHPVEESA-N	408.807	5.477	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccnn2C(C)(C)C)sc(C)c1-c1ccc(C)cc1	1866189266	WRLUYLBHKNBVDX-UHFFFAOYSA-N	411.527	5.022	10	10	HKCE	
CC[C@H](N[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2127785552	APLNZNPLGXFEBM-BSIFCXSSSA-N	417.391	5.106	10	10	HKCE	
CCCN1C(=O)C(=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S	2297555784	WDWUAGQGPWFVHA-UHFFFAOYSA-N	413.608	5.471	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1c(Cl)cccc1Cl	2313499181	WBELNRAQJCQHFM-UHFFFAOYSA-N	416.304	5.175	10	10	HKCE	
CC1=NN(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Br)cc1	2313501686	MRKSMTMSBQJXIW-UHFFFAOYSA-N	420.104	5.018	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)SC2=S)cc1	2313610155	SREOINSKWOXWRF-UHFFFAOYSA-N	413.564	5.451	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccncc1	2323763033	FBOLGBPNCBXILL-UHFFFAOYSA-N	418.543	5.062	10	10	HKCE	
O=C1C(=Cc2ccccc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332094674	LVLPQZPKIVJPPU-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CCC)cc1OC	2332124482	GVHHNXXZWVXDFB-UHFFFAOYSA-N	420.553	5.846	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332140862	QDKPXCHSIVTWQQ-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	2904370	WPJBCYOFXIDZEW-XDHOZWIPSA-N	411.935	5.908	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14545481	FVAWLYDWWOVSCS-WZOHSFFVSA-N	416.565	5.974	10	10	HKCE	
CCc1ccccc1NC(=O)CN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S	33330984	PQWRXHZYAODHML-WQBPOOPKSA-N	422.575	5.035	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21	59462436	QPXDEEWBKBNMGI-GQSCTRQFSA-N	402.925	5.745	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226834556	NCSSTFURASOIHI-IWHLBADBSA-N	411.545	6.879	10	10	HKCE	
CCCN[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1O	1915206055	MGRWEQJIUFQPNK-JOCHJYFZSA-N	412.574	5.650	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H](O)CC)cc1Br	1915396309	BJUZRUJDGMPRER-FXAWDEMLSA-N	419.407	5.287	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079037775	OSJFXAHXSUJKSH-AWEZNQCLSA-N	419.241	5.126	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)C)c(Br)c1	2223534777	GFEBTWKRVSGHRF-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
COc1cc(C=C2C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc(OC)c1OC	2294581389	PRBHSELHBJUJMW-UHFFFAOYSA-N	402.446	5.155	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccccc2C)C1=O	2314828425	UGZAECCLJFUFLI-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1ccccc1F	2332104808	UMQDLRJLGYLLFW-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1	12412753	MLRLAWKJTIJIQE-XKZIYDEJSA-N	420.871	5.864	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635391	CETOZJMDAAEUML-HFMPRLQTSA-N	402.538	5.584	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)OC)cccc4[C@H]4C=CC[C@H]43)ccc21	13642634	NYQDEJGXFPHNRP-QRRVGDGBSA-N	422.528	6.428	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14460950	ZKEBVPVJSHRRFT-JKDFXYPNSA-N	421.132	5.744	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	14475568	FYALJYIWVLQWDW-VBOOUTDYSA-N	422.572	6.683	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691135	NOOHABGKPJVXHP-CBGDNZLLSA-N	415.318	6.043	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1cccc(Cl)c1	253490890	KKERNZFWTVPSTE-ONCXSQPRSA-N	402.925	5.745	10	10	HKCE	
CC(C)(C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(Br)c1	384123864	KFBKAOZSFQQUGU-IBGZPJMESA-N	417.391	5.133	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1	526427641	SXKDTWAPIBWBOX-IBGZPJMESA-N	413.882	5.178	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cc1OC	1860083854	ABQWGJXSENSDMK-CPNJWEJPSA-N	413.564	5.507	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	1860087434	XGKCQELZBRYFME-SFQUDFHCSA-N	423.481	5.900	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865656627	OUHGPANYOASMSB-ATVHPVEESA-N	400.787	5.842	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1F	1865665660	FUMFYUXMKSEYRT-QPEQYQDCSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCC)c(OC)c1	1865669230	INQCNPYMOMOFDI-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC	1865669427	NJRMZBGRQDVCRU-KGENOOAVSA-N	410.489	5.205	10	10	HKCE	
CN1CCCc2cc([C@@H](O)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999521382	LVMOSHQNMWYJBX-DEOSSOPVSA-N	424.585	5.320	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2034789104	WKTPBPWKSYMTPS-QGZVFWFLSA-N	403.408	6.172	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N12	2297317080	ORVLVTPGGHHARR-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321635284	DGRPDLFJVXZRSS-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1ccc(Cl)cc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330211694	KNUREEVTQFRHJX-UHFFFAOYSA-N	420.944	5.755	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332099775	DCTFDXUULIINPG-UHFFFAOYSA-N	420.862	5.982	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2sccc2C)cc1	2332127569	LIBUTRZFKYKANF-UHFFFAOYSA-N	406.482	5.034	10	10	HKCE	
CCCN1N=C(CC)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	2332131419	PRMQZCWXJRMACE-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
CCC(=O)Nc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)c1	5307392	HABCOPSXAJSOCJ-VWLOTQADSA-N	412.537	5.457	10	10	HKCE	
Oc1c(Br)cc(Br)cc1/N=N/c1ccc(Cl)c(Cl)c1	13980713	AJGBQKTUSJJZAF-ISLYRVAYSA-N	424.907	6.639	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462275	QBORNAJWSJUHFN-FXSPECFOSA-N	417.597	5.889	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465561	GULDTMJECVYPMS-ARESOWRYSA-N	416.974	5.243	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474265	LNXWNESPLKBGCX-PEKRRXIPSA-N	410.517	5.710	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(O)cc2O)N3)c1	14553519	RSMGEHCTVAWPKN-OHUGHZGNSA-N	412.489	5.485	10	10	HKCE	
O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	40143212	DSMLWFBKIGQBJP-HXUWFJFHSA-N	421.294	5.146	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1	83328518	XXCVAIQAZFWSAQ-QLYXXIJNSA-N	424.544	6.480	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226747122	VEKLQTGMYZUJFS-SXGZJXTBSA-N	406.309	5.551	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1CNC1CC1	381879484	NJQXRFBQEWXXDZ-UHFFFAOYSA-N	421.382	5.908	10	10	HKCE	
CN(Cc1cccc(NCc2c(O)cccc2Br)c1)C(=O)OC(C)(C)C	706809508	CNKYTRUEDFDXLE-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)OCc1ccccc1	1857997059	YZAWISDJWAKIRW-UHFFFAOYSA-N	409.417	5.058	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)cc1OC	1858591721	XCCFYCQXVLAOJL-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	1860076570	KXFDLFYFXHGRKJ-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	1860084683	BBQCVPMRJQQGFF-RQZCQDPDSA-N	424.374	6.186	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860085765	YUSHHYIIKUJWIN-LFIBNONCSA-N	424.374	6.188	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	1865664709	VSRABMOZLRVRPY-KQWNVCNZSA-N	414.936	6.294	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cc(C)ccc2O)cc1	1865665792	MCSHVIJFCNOSSO-XMHGGMMESA-N	418.880	5.197	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1Cl	1865680038	UGFVUDGMOZNJED-JXAWBTAJSA-N	403.825	5.083	10	10	HKCE	
COc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1	1865981293	LWCOPTYGYDXOGC-UHFFFAOYSA-N	413.271	5.085	10	10	HKCE	
c1ccc(S[C@H]2CCCCO2)c(N=Nc2ccccc2S[C@@H]2CCCCO2)c1	1933300697	SXOBGIXQLJFPNV-SZPZYZBQSA-N	414.596	7.339	10	10	HKCE	
Cc1c(C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)sc2ccccc12	1987576318	GLVMEARHVNOBKY-UHFFFAOYSA-N	423.578	6.610	10	10	HKCE	
C[C@@H](O)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	2077088489	VCIZOXULILFHQG-IIBYNOLFSA-N	404.348	5.078	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079998389	QDQKZGUGQVTPJD-NRFANRHFSA-N	416.949	5.693	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100223374	PXXVPBQDENGUIP-RVHYNSKXSA-N	417.391	5.289	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1ccccc1Cl	2321591255	FRXNAWCYLDFPCC-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321604266	SUGYLZDDBGPMAQ-UHFFFAOYSA-N	403.956	5.841	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	2321646922	JCTHDKXMGIVETB-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
c1ccc(C(c2ccccc2)N2CCN(N=Nc3cccc4ccccc34)CC2)cc1	2330222019	WYUMPPYCOIHZJE-UHFFFAOYSA-N	406.533	6.246	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(C)C)cc1	2332104253	VCIIMTWEEQBFPO-UHFFFAOYSA-N	411.343	6.159	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC	2332124372	VPYDGYZDPBFUMK-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455915	SSSKBMYDFSIUKY-IZIIKQMZSA-N	414.574	5.856	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461298	MORJUVHNJNZASR-LRAJWGHMSA-N	413.315	5.330	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1	14464565	MKIFZKXMUVVQEW-RZPFDVGOSA-N	410.517	5.139	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14470682	UXAFGEAVAHKUNZ-XFQAVAEZSA-N	412.873	5.642	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543769	MSUYQDTUYGTWJC-JCYRPKCISA-N	416.565	5.928	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552241	UCLLKRXRFRDAAH-JLHGSKIFSA-N	412.986	6.627	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	20764160	LCFZMGZBQAHALZ-ZJSXRUAMSA-N	424.903	5.806	10	10	HKCE	
N#Cc1c(/C=C\Nc2ccccc2)nc2c(c1-c1ccccc1F)C(=O)c1ccccc1-2	104215896	UEMGJHIHZMOSGL-PFONDFGASA-N	417.443	6.054	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C)s2)N3)c1	226805159	FTJCSMICUWWJOT-NMMYMHLASA-N	400.547	6.444	10	10	HKCE	
COc1cccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526147486	YZBYYNUJVLWHBK-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(NCc2cc(Br)cc(F)c2O)cc1	715802890	CZOHLZNAMBMZSI-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N([C@@H](C)[C@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	1858588715	VDAYKMGIJZWUPH-ICRMEEOLSA-N	412.580	5.202	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858590092	WVXAFGVOORMZFS-IUYSQWDXSA-N	414.365	5.368	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OCC	1860076876	VIQNMVMZWBYENW-LDADJPATSA-N	419.955	5.543	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCCc2ccccc2)sc(C)c1-c1ccccc1	1860403660	NUYGNQMSNZRPJH-UHFFFAOYSA-N	407.535	5.862	10	10	HKCE	
O=C(C[C@@H]1CCCC[C@@H]1c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866152279	SHXSTPNZKKNAPW-VQTJNVASSA-N	423.512	5.765	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2ccncc2)sc(C)c1-c1ccc(C)cc1	1866161257	QHJQKCKKZACYAK-OAHLLOKOSA-N	408.523	5.346	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(C(F)(F)F)cc1Cl	1891100551	IZEOABGOSIMBEP-YOEHRIQHSA-N	408.851	5.278	10	10	HKCE	
CN[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999526977	HHYQEPQLTBGRSA-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
CC(C)(C)c1c(C2CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079763324	INBRPXKFAMVRTC-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2095954156	PJLPVUDLUSBSGV-LJQANCHMSA-N	417.435	6.246	10	10	HKCE	
CCCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	2297512371	DRGZAAFMDAZPEO-UHFFFAOYSA-N	411.889	5.015	10	10	HKCE	
COc1cc(Cl)c(C=C2SC(=S)N(CCC3CCCC3)C2=O)cc1OC	2297559732	DNUVLPLQOQJMQK-UHFFFAOYSA-N	411.976	5.139	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2313510723	JAICEWIVPVBKLS-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
FC(F)(F)c1ccccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330210376	XLEHRPPZQDZEEG-UHFFFAOYSA-N	424.470	6.111	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@H](C)O)c(Br)c2)c1Br	2369667187	JMQXJMPPVKYLQC-VIFPVBQESA-N	419.182	5.271	10	10	HKCE	
CN(C)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	3769254	VJFDCJKIRGXKLY-YBEGLDIGSA-N	409.363	5.465	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639074	FBINUTNWXBDZNT-QKLQHJQFSA-N	411.343	5.414	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14461996	WYRPFBXSRVYQLL-CLCZQPDDSA-N	404.598	6.784	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462313	DNAAFAQHAUNIRA-SGIRGMQISA-N	417.597	5.888	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(C)C)cc2)N3)CC1	14463410	OHEHMBRGDULWOP-OASJLCFRSA-N	414.593	6.509	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466094	JOKVQFWKOBXMKN-CKJXQJPGSA-N	416.974	5.243	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549334	JBBCXSYCLCKWFE-ITLAICGJSA-N	405.541	7.608	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21	20748396	SQVJXVXUAYDOMJ-STXHMFSFSA-N	417.290	5.516	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	33924310	HNONPDFBPQOAEX-XDHOZWIPSA-N	422.487	5.569	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226845352	ABNFYAWBNYOQCM-UMEGOILYSA-N	416.952	7.058	10	10	HKCE	
C[C@@H](NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1O	390579454	GMUXTVNBILLTSP-HSZRJFAPSA-N	424.588	6.289	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1ccc(NCc2c(O)cccc2Br)cc1	706863284	AJRBCZWSKNAPLN-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1cccs1	1086849255	PWEOHABMUQOQND-LJQANCHMSA-N	404.495	5.407	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1OCC	1860087100	ZPZBTDUWLBCZHY-WOJGMQOQSA-N	403.500	5.029	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087269	LLDYYTJJZKBEQF-YRNVUSSQSA-N	416.427	5.081	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2CCC)cc1	1865668324	RBFTWIYICGXJLN-CJLVFECKSA-N	410.945	6.101	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1	1865678822	GFOBLJNTHBIJHO-YBEGLDIGSA-N	412.333	5.358	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3c(N)cccc3Br)C2)CC1	2106206292	SXWXUZBALSCCEJ-AWEZNQCLSA-N	424.383	5.013	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	2231463396	OMTXOYXRJOMPPY-ROUUACIJSA-N	415.419	6.142	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	2313609310	HHKQCRJLXTUVLA-UHFFFAOYSA-N	403.956	5.925	10	10	HKCE	
O=C1C(=Cc2ccc(N3CCCCC3)o2)SC(=S)N1Cc1ccccc1Cl	2314646864	RXTDMUXPAYRULG-UHFFFAOYSA-N	418.971	5.325	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	2332096439	HVOOOQQFUKFFMK-UHFFFAOYSA-N	401.897	5.241	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccc(F)cc1	2332140671	AJICSRYKODJHSD-UHFFFAOYSA-N	424.397	5.675	10	10	HKCE	
CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3cccc(C)c3)ccc21	3057213	VWKBMBIQLJBZRC-UHFFFAOYSA-N	411.615	5.003	10	10	HKCE	
CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1	4059079	JOJYMNNDMTWEFJ-FOCLMDBBSA-N	422.617	8.380	10	10	HKCE	
Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1C	5748101	MDPSQBCHGVAOQN-HHHXNRCGSA-N	411.501	5.447	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460625	DGIPOMBVNPBQQH-QYWGDWMGSA-N	401.337	6.559	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476516	KHBJOGOGWCPFRV-DFIYOIEZSA-N	411.501	5.879	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14480723	JJPCVRKMLPGXJB-ZEVJAHDQSA-N	424.544	5.842	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21)N1CCCCC1	20708251	FSRFYNLYKHUBSR-MVERNJQCSA-N	408.545	6.292	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226653531	DWFMFZHNXOFTSW-NOTUOJBMSA-N	416.609	6.701	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226739004	VIIMYRWSGYHLMU-DYXJYMTDSA-N	416.974	5.243	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226850101	BBXNZZDDEFTMPE-PZPWOCDFSA-N	402.321	6.387	10	10	HKCE	
COc1ccc(O)c(C2=NN3[C@H](c4ccsc4)Oc4ccc(Cl)cc4[C@H]3C2)c1	245297620	VGZBYWAKZZXLHH-NQIIRXRSSA-N	412.898	5.358	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Br)c1O)c1cccc(Br)c1	708098936	MMTOCWBANXLGMH-SECBINFHSA-N	419.544	5.421	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2	1081168693	KFBFFOIWLZCQTP-TXTKFYIRSA-N	407.535	5.184	10	10	HKCE	
COc1ccc(CCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1858586860	WMNADSCFQWQTLW-LFIBNONCSA-N	424.374	5.446	10	10	HKCE	
Cc1ccc(CCC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1	1859889093	KZRKWXVLBMGZJS-UHFFFAOYSA-N	411.501	5.145	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	1865656635	PIZXQBXVKFOWRJ-LFIBNONCSA-N	403.707	5.294	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676998	QIUODKWOAAZSRN-MHWRWJLKSA-N	418.280	5.484	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1	2293115947	WEQRHRNSFZGUOI-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1	2296887285	HKJGCWZUJLPCAB-XCZPVHLTSA-N	407.561	6.554	10	10	HKCE	
CCCCN1C(=O)C(=CC=C2Sc3ccc4ccccc4c3N2C)SC1=S	2297550655	KJORLTNDWDUGIJ-UHFFFAOYSA-N	412.605	5.767	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccc2)SC(=S)N1CCC1CCCC1	2297559958	ZVYQYVMMOGDOPA-UHFFFAOYSA-N	423.603	6.047	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1F	2297561035	GXOVALGEQFHLAS-UHFFFAOYSA-N	414.480	5.991	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=S)N1Cc1ccccc1	2314488431	OFOPZFSGVSWFFK-UHFFFAOYSA-N	422.487	5.892	10	10	HKCE	
O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(Cl)cc1	2314831636	OWGVORDFJVURGJ-UHFFFAOYSA-N	422.984	5.022	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139961	MMUYUNRDAQJJFT-UHFFFAOYSA-N	420.896	5.794	10	10	HKCE	
Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1/N=N/c1ccc(C(C)C)cc1	4299683	GIUOFOYISBJXFV-GHVJWSGMSA-N	400.479	5.415	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458539	NZVQHNPIDDLHCY-ZEVJAHDQSA-N	408.545	6.094	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226745484	WGIHOENDSAMYPB-YPENRWOSSA-N	401.337	6.559	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2	226854835	YJDXGKPRCHBVTD-RNHFSVANSA-N	404.554	5.784	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCCCCC1	250517725	XGGXAOCNXKAFPP-CRRLPVGBSA-N	422.572	6.683	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	250858127	HLZSALSDZRWUBC-JLHGSKIFSA-N	423.900	5.311	10	10	HKCE	
CC1CCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])CC1	256018033	GBBZHJBLTVKZAJ-UHFFFAOYSA-N	417.473	5.780	10	10	HKCE	
CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	311292970	DVLQYZSSJKBBFT-IBGZPJMESA-N	405.366	5.118	10	10	HKCE	
CC[C@@H](C)N(C(=O)CC1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916932	JCTHLOLHBQWONI-QGZVFWFLSA-N	403.522	5.564	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl	1860076611	PHBGDHKUBDTBML-RIYZIHGNSA-N	411.291	5.307	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(Cc3ccncc3)cc2)C1=O	1860085954	YFHOOBNHHPTFNV-RCCKNPSSSA-N	402.544	5.387	10	10	HKCE	
FC(F)(F)c1ccc(/N=N/N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1860484647	XSASOSCBVXUZDS-CYYJNZCTSA-N	403.835	7.060	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccccc2)cc1	1865649889	JRXFHTSGPIIODV-RCCKNPSSSA-N	402.881	5.179	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	1865680133	ZGCWNAAXEQPOMY-GZTJUZNOSA-N	403.707	5.294	10	10	HKCE	
CCCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1	1874151006	AQYFDGJAQWDZQF-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
[N-]=[N+]=NC[C@H]1CCCCN(Cc2c(Br)cccc2Br)C1	1912198864	LPWAOETTXCUXJM-LLVKDONJSA-N	402.134	5.124	10	10	HKCE	
C[C@H](O)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	1946810130	RUOMTJFDBYFOQN-ZDUSSCGKSA-N	402.254	5.461	10	10	HKCE	
FC(F)(F)CN(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	2034712901	JOICRTRREOQMTF-UHFFFAOYSA-N	413.281	5.270	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc([C@@H](C)NC)cc1Br	2035638418	VQUQJYJPIYNDRR-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
O=C1C(=CC=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1Cl	2053589546	LGYDPRKACXQVRG-UHFFFAOYSA-N	402.884	5.210	10	10	HKCE	
O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C(=O)[C@H]21	2297710359	DCRGAADTEDREEN-MZURWIMNSA-N	421.456	5.061	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	2321635516	CRHAKIPQVNAJKT-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(CCC3=CCCCC3)C2=O)cc1OCC	2323839873	KBIOQFLYQQDYBX-UHFFFAOYSA-N	417.596	5.576	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2326973175	SZUOEKOWWVNYKH-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
Cc1ccc(CN[C@H]2CCCC[C@@H]2OCc2ccccc2)c(O)c1Br	2327799517	WMUARVJEFXSYPQ-OALUTQOASA-N	404.348	5.081	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cccc(Br)c1	2332097998	MSKRCJLEXOSCEM-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC	2332113877	SYOAEQWFKGNLBN-UHFFFAOYSA-N	418.415	5.223	10	10	HKCE	
O=C(N[C@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O)c1ccccc1	2811362	JOLVTJDJGLWIHV-XMMPIXPASA-N	404.469	5.613	10	10	HKCE	
O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	2983068	KYHWAJDRIFUGEZ-VWLOTQADSA-N	417.892	5.483	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(O)c1	13640217	UEMNUECSCFOROG-YZIHRLCOSA-N	415.489	5.382	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21	14466980	UPYUCWQYZOKSRW-XWCIJXRUSA-N	411.126	6.288	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549318	MPSGNYOKGAMJDF-ZXDNMGRFSA-N	418.540	6.569	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21)C1CCCCC1	20695203	HWSJEDYPRFYJBQ-ZFGGDYGUSA-N	420.984	6.571	10	10	HKCE	
COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	36059970	LPGAGUCQEXUGTO-XXBNENTESA-N	422.868	5.002	10	10	HKCE	
CC1CCN(c2nc3ccccc3cc2/C=C2/SC(=S)N(C(C)C)C2=O)CC1	208280928	WUMRYNQTIVBHHS-CPNJWEJPSA-N	411.596	5.081	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226642813	VNIPOXQTKAPXPQ-SLSDLSHTSA-N	409.533	5.831	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226708900	RQLFDVQFDLWXAI-QQNWGBJXSA-N	422.572	6.913	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	250501620	GSYLJCFFZDPYMY-YZIHRLCOSA-N	410.517	5.608	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1cccc(Cl)c1	253490888	KKERNZFWTVPSTE-HNBVOPMISA-N	402.925	5.745	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\N3CCCC[C@@H]3CC)SC2=S)cc1	1084042827	NMCDDLXSVHWWGJ-DAMBIUFKSA-N	404.601	5.336	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)c1	1858591177	AQERAKBLEFCZAA-CPNJWEJPSA-N	401.528	5.057	10	10	HKCE	
Fc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	1860481443	YQCMNHYHZWPACL-CYYJNZCTSA-N	408.908	5.885	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667233	MBGJWAAFHYWQNG-PXLXIMEGSA-N	418.924	6.084	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CCC)cc1	1865668407	VZMJWAQNBTUEOO-LYBHJNIJSA-N	412.533	6.605	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c(=O)oc2cc(Cl)ccc12	1866293093	QYWICFOQTVCBMK-UHFFFAOYSA-N	418.880	5.180	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O	2090028555	MATMSJNDQKATFL-MGPUTAFESA-N	414.347	5.201	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)c1	2321602868	HSKUPGDKWYPNEZ-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1OCC	2321733851	JRZRHDRNMCVJPT-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3ccccc3Cl)N=C2CC)cccc1OC	2332118480	PUJVVILVYAZKJI-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(F)cc2F)cc1	2332129820	QGEQRTYLQKOREQ-UHFFFAOYSA-N	418.443	5.112	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3ccccc3OC(C)C)C2=O)c1	2332133995	YFSAGLBPPQMFGD-UHFFFAOYSA-N	416.443	5.435	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2	4698945	NRDYEOBJMGFFQC-OAVHHTNSSA-N	407.819	5.972	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	9833451	DNPKSKJFPIKADE-IYOUNJFTSA-N	418.718	5.716	10	10	HKCE	
COc1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640971	HQHTTXMHRNJVAH-IQUTYRLHSA-N	416.315	5.301	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	14460836	KPVDZFXLJBSEEU-IUUKEHGRSA-N	411.126	6.288	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	14462939	PCWHGFLIHQIKLL-AWRGLXIESA-N	410.583	5.323	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14463951	ORXMYWYUEWQJHG-HTZUNMPGSA-N	400.736	7.627	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469711	IHWDJQXAOWMCJY-MZLICYQSSA-N	416.452	6.139	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544878	WIYNHHFDVCJJIA-RAKYAITLSA-N	419.528	5.924	10	10	HKCE	
CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1OC	20070673	NOPNGIPQCQNRQM-CJFMBICVSA-N	416.477	5.042	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4cc(O)c(O)c(O)c4)cc3)sc2c1	217278916	JAXMRPDDMAVQLX-UHFFFAOYSA-N	407.451	5.033	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@@H]2C=CC[C@@H]21	226858938	NGKJMTLLGWFGTD-HYGBWUFJSA-N	416.348	6.378	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2)c1ccccc1	226860213	ZITVMAIPGGQKOB-VHSZZVNMSA-N	424.544	6.188	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226873064	JJPCVRKMLPGXJB-UMFSSWHCSA-N	424.544	5.842	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865677003	QPXINDQUKOBNMP-STZFKDTASA-N	417.852	5.078	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)SC1=S	1871287895	ZPRMEIULVNLRGK-YBFXNURJSA-N	401.528	5.262	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)nc1-c1ccccc1	1892123972	HNUQFWPZNYOFQB-UHFFFAOYSA-N	422.531	5.712	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1Br	1915271362	GMVQEJHGIXNECS-VGSWGCGISA-N	419.407	5.143	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2034747196	NQVCJIYBEGHADE-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	2053513853	XOZJSHKNHZNBOB-UHFFFAOYSA-N	405.542	5.706	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2294498914	WZUYBTOBEHHKBX-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	2296684238	MIDDMNCOLZMMQG-UHFFFAOYSA-N	411.939	5.024	10	10	HKCE	
Cc1ccc(C(=O)N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2297451042	AYMCZBWOWNMADR-UHFFFAOYSA-N	408.331	5.343	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1c(F)cccc1Cl	2313577346	CWCYTEMFYOHAMV-UHFFFAOYSA-N	413.876	5.480	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(Cl)cc2)sc(C)c1-c1ccccc1	2314754339	PSYLZXSBPUOHJX-UHFFFAOYSA-N	411.910	5.815	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC	2321591366	ROFQHAZQXPCPLV-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S	2321635579	QORGZMCNSFQNIP-UHFFFAOYSA-N	417.983	6.186	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1	2321646751	GLMXBJYZOAVVSN-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125644	YKLZCXDBUWUNRT-UHFFFAOYSA-N	420.553	5.681	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141394	SLXVKEKHDGUEQD-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	3070920	ARCKRZFPRJVRRB-HHHXNRCGSA-N	411.501	5.392	10	10	HKCE	
CCOc1cccc2c1N[C@@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21	13642664	FFLYWWATXXBUOA-NJVGLYJLSA-N	408.545	7.040	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	14460784	VTBSQTNLZWSTAT-FHSNZYRGSA-N	421.132	5.744	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCCC1	14471947	BXZAJAAGQWUZIN-IPJJNNNSSA-N	403.482	5.047	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1OC	14479692	JJDCSTHYXDFJPF-STSQHVNTSA-N	406.526	5.059	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549763	FGKOFPHZVQGCBV-QALTUIAKSA-N	412.508	6.143	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20679106	HSAMPRTZNOBWDC-RQTOMXEWSA-N	402.538	5.538	10	10	HKCE	
CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O	59135802	HGMOFJGRKMTLEG-LGMDPLHJSA-N	420.465	5.049	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1C	59382289	ARQWYGFATCCZTA-SXGWCWSVSA-N	423.390	5.881	10	10	HKCE	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1	96556974	PPJULNADIKVZJR-CIAFOILYSA-N	424.472	5.609	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	1860076532	HTUFYHBTVTYNHZ-LICLKQGHSA-N	424.374	6.188	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1	1860087067	XQONCQHKXKCHPK-XDHOZWIPSA-N	422.531	5.141	10	10	HKCE	
CCCCOc1c(Br)cc(/C=C2/C(=O)N(CCC)N=C2CC)cc1OC	1865667901	VWGSUJZPMYPKHP-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(OC)ccc1OC	1865668274	OSTSARPQBWOPCH-XNTDXEJSSA-N	405.281	5.207	10	10	HKCE	
CCN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	1865669507	MRSCFYQSLIAURH-KQWNVCNZSA-N	416.908	5.569	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c2ccccc21	1865670633	KFHFHVBUBOIQKE-JCMHNJIXSA-N	409.464	5.148	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1-c1ccc(Cl)cc1	1865960961	ZPTQRDOCGQLPJB-UHFFFAOYSA-N	403.887	5.707	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Cl)c(I)c1Cl)CCC[C@H]2N	2150347341	XRNNIYINZXOLTG-LLVKDONJSA-N	421.109	5.033	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2ccccc2F)o1	2297578463	NITSMXFPZCDDIK-UHFFFAOYSA-N	424.815	5.243	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	2313499128	OWIBJPIMXHQGPC-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CN1CCCCCC1	2313503255	MTLGEVYSWDULBO-UHFFFAOYSA-N	401.384	5.028	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2313577364	HTTUYPGGJXGIHX-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	2318757020	UACXHTHQNOTHLP-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
COc1ccc(OCCN2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2323719424	QYAIZGWDNAZXTC-UHFFFAOYSA-N	421.543	5.129	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	2332099889	OTDIWPXBZZIKLB-UHFFFAOYSA-N	414.814	5.837	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099899	PGUPUHDHHGDJBH-UHFFFAOYSA-N	401.337	6.487	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccccn2)N=C1c1ccccc1	2332113620	QITIAJOGWAZFEK-UHFFFAOYSA-N	405.457	5.078	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c1	2332119156	JINQDLSKTYXSQB-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	13638484	RQBXHOILNFHGMH-DPLHUUCSSA-N	417.350	7.019	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462903	HANFXXQTCRAHEL-FXSPECFOSA-N	414.593	6.699	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471111	PWEPJVVQSPJDOB-ZOCZFRKYSA-N	400.862	5.100	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2	14550591	BHKOAWWFDOGHLJ-RQTOMXEWSA-N	404.554	5.784	10	10	HKCE	
Cc1ccc2nc(NCc3ccc(N(C)C)cc3)c(-c3noc(C(C)C)n3)cc2c1	33331591	LVZUIEUQYDZPLX-UHFFFAOYSA-N	401.514	5.395	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1	54619295	FMYFNMYJCCTULM-JOCHJYFZSA-N	413.477	5.022	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@@H]3C=CC[C@@H]3CN42)c1	247407681	OSXPNPRPAJYLGH-SFVACJEJSA-N	420.512	6.642	10	10	HKCE	
CC(C)(C)OC(=O)NCc1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1	383387861	CDXBPRBGKRSRQY-UHFFFAOYSA-N	411.329	5.014	10	10	HKCE	
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	1084535355	HVWATKKQGXNIPM-UHFFFAOYSA-N	405.439	5.137	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	1860084955	BDYJHKINHYKOPR-DEDYPNTBSA-N	407.516	5.350	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	1865665066	ZNWGIXABXLSIDI-FLIBITNWSA-N	417.189	5.477	10	10	HKCE	
CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1CCC1	2079647623	LKLRGJIDSJYCIJ-UHFFFAOYSA-N	403.242	5.248	10	10	HKCE	
CCCN[C@@H](c1cc(Br)c(Br)s1)c1ccccc1O	2090036041	YRCYBVDBFLTUHG-CYBMUJFWSA-N	405.155	5.068	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)SC2=S)c1C	2297366885	JWDOOVFUHSLMPT-UHFFFAOYSA-N	410.347	5.722	10	10	HKCE	
O=C1C(=Cc2ccc(Br)s2)SC(=S)N1c1ccc(Cl)cc1	2313609422	HOEYURCIXZGWQX-UHFFFAOYSA-N	416.774	5.570	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1	2313681599	IWFPELRRIJQFHS-UHFFFAOYSA-N	410.930	5.839	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1OC	2321601628	GMAQSWBYZDGYCE-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1F	2321614868	CQBCVKZFEWLROY-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3Cl)C2=O)cc1	2321628976	SQWBHOGZQKYCCD-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	2332104295	SIEXBRXGVSWSSO-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(N)=O)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642333	RQLFHTUYKAGSCH-FXJWSJNKSA-N	407.517	5.740	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC(C)C)cccc4[C@H]4C=CC[C@@H]43)ccc21	13643085	PXAVDCLFROYZRL-AHPZTNMXSA-N	422.572	7.428	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455921	XYXUIUBORDYJGI-XQFWAAQXSA-N	400.547	5.813	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471161	HNPYTMDTJWBPBF-JLHGSKIFSA-N	414.889	5.490	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14545719	FIJLBDHDYOVMND-UXWDXCIHSA-N	417.593	7.261	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549429	KLORZZFGWPRBOM-OBZNHSRCSA-N	405.541	7.607	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	14550739	ZURNVRSBSSXNDE-JTAQYXEDSA-N	411.461	5.674	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(OC)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20679059	OZGIEGSFSJTDEF-JQYIIUTOSA-N	424.544	6.188	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3ccccc3O)C2)cc1	53363083	QOASSDIYKPBDQY-ZCYQVOJMSA-N	402.494	5.022	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1	53364944	NGNRASULLBIOSE-MBSDFSHPSA-N	424.859	5.136	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3Cl)c3cccs3)c(O)c2n1	54621907	LCCRGQLABZITTN-HXUWFJFHSA-N	415.345	6.819	10	10	HKCE	
CN(C)c1ccc([C@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccccc2)cc1	59462695	GVXDCNCPJCUUJJ-MUUNZHRXSA-N	418.544	6.140	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	83295933	JFTHZJOTTDZLJE-XSFVSMFZSA-N	417.852	5.391	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Br)cc1Br)CC(C)(C)C[C@@H]2N	110038561	XFAJWCOOLXXROQ-AWEZNQCLSA-N	412.169	5.283	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226695540	DEGMBMUBIWSBQD-SIFCLUCFSA-N	403.309	5.508	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226905488	AXJRHCUUMGSYQE-MHIIWPAESA-N	419.566	7.780	10	10	HKCE	
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(N=Nc2ccccc2)cc1	256017996	ZPBUADWUBONKDE-UHFFFAOYSA-N	415.413	5.749	10	10	HKCE	
C[C@H](NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(N(C)C)cc1	390558777	JVCNTYPBMAZGIE-QHCPKHFHSA-N	401.598	5.496	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526208490	LEUHYKMWHCZLKD-NRFANRHFSA-N	424.953	5.833	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865658563	LOVJTPFYGHPIPY-UQQQWYQISA-N	422.915	6.323	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865658624	PGUPUHDHHGDJBH-SFQUDFHCSA-N	401.337	6.487	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O	1865671766	CJZSURDQNWEZJW-MHWRWJLKSA-N	419.706	5.394	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(Br)c1	2129812721	ZFXZTZOMWHNJFG-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
O=C(NN1C(=O)C(=Cc2cccc3ccccc23)SC1=S)c1ccc(Cl)cc1	2314717480	FGRYMPXYACGZIU-UHFFFAOYSA-N	424.934	5.039	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1Cc1ccccc1Cl	2323865101	HBCPSSKXXGXDMV-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
CCCCCOc1c(Br)cc(C=C2C(=O)N(CCC)N=C2C)cc1OC	2332114631	ZQTIQVNWNMZFSS-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	2332114715	IPAHWJPHLJWMGO-UHFFFAOYSA-N	410.517	5.696	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134058	FQTLFZMJFPKOIX-UHFFFAOYSA-N	424.500	5.488	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141690	QJKZQJQZUJFULO-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/N=N/c2cccc(Cl)c2)cc1	8626730	MVQMIWDGRHMTFX-CYYJNZCTSA-N	414.799	5.996	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1	14550041	FTUYWBVCPDSSIG-UMFSSWHCSA-N	412.508	6.319	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@@H]2C=CC[C@H]21	20718971	DPZXAUGVJRXORF-ZVUIFXONSA-N	424.544	5.911	10	10	HKCE	
CSc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1	33317986	BBXKETWKGTYOSQ-XFXZXTDPSA-N	423.346	5.387	10	10	HKCE	
CC(C)(C)c1cc(CN2CCN(C/C=C\c3ccccc3)CC2)c(O)c(C(C)(C)C)c1	33394645	YPVCQKVQWMCQOP-RAXLEYEMSA-N	420.641	5.818	10	10	HKCE	
CC[C@H](C)n1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc21	33918710	ZCJNBJASVDSGDD-YQNUULROSA-N	405.429	5.258	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1	206451423	ZNENCHQNZSAKNL-QGOAFFKASA-N	417.596	5.061	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/C(C)=C/c3cc(Cl)ccc3O)SC2=S)cc1	213996062	DJBOCEUSMFKLMV-ZTFBWAHWSA-N	417.939	5.406	10	10	HKCE	
COc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526220965	XWTNCKDCBYKVBM-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cnc(C2CCCCC2)s1	1859707583	UTUDQRZYWAVPQF-UHFFFAOYSA-N	416.502	5.219	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)cc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916737	CPGBOKYTBUZFHG-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1OCC	1860086954	ROYKYVOGESFRAF-WOJGMQOQSA-N	403.500	5.029	10	10	HKCE	
CSc1cccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	1860488004	ZDEYIMQMMYDARI-OCEACIFDSA-N	402.567	5.814	10	10	HKCE	
CCCCOC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	1874151748	WNFRABFNSQKCQH-UHFFFAOYSA-N	404.510	5.612	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)nc1-c1ccccc1	1892043280	TYFFCYFBXBEFDS-UHFFFAOYSA-N	423.519	5.107	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@@H](N)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1977941814	PVYSFMYEAVNCNY-HSZRJFAPSA-N	409.574	5.114	10	10	HKCE	
CCN(CC)c1ccc([C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)cc1	1977941846	QFYIZSOBHNCNND-HSZRJFAPSA-N	411.590	5.231	10	10	HKCE	
CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1Br	2231464418	AHKXSSIFZYDWJZ-YLJYHZDGSA-N	419.407	5.115	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl	2293175839	DBTNUNYVQSVOBU-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C=C2SC(=S)N(c3ccccc3)C2=O)c1C	2297357772	UUINYRIJRDVHDH-UHFFFAOYSA-N	420.559	5.509	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457280	HXGLCMVQODMZIA-XLNZFTOWSA-N	418.537	5.244	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479511	JKIZRSQMQGLJHI-UZINWLIJSA-N	407.554	6.489	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	14544658	ADFXOXFARVPWJV-KPHUOKFYSA-N	412.274	5.599	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21	14548152	VJBSRACITYZKNI-ZPTOUWTESA-N	413.517	5.930	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701231	GXTHJNOZVZHDKJ-AGKHESDQSA-N	407.253	5.442	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3ccccc3c2)cc1	100148262	USTVAUXVDPVHMZ-IMRQLAEWSA-N	418.496	6.225	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	251223266	ITXABGMGUREIJO-HQYOWAIWSA-N	414.574	6.374	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNCC(C)C)c(Br)c1	387323495	UQFQTNLYVOYGNC-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
CCN(CCCCO)c1ccc(N=Nc2ccc(S(C)(=O)=O)cc2Cl)c(C)c1	1088696552	RBKQWGQODWRGJF-UHFFFAOYSA-N	423.966	5.066	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865654253	MSIFFUAVBMIEEL-KQWNVCNZSA-N	415.924	5.236	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCc2ccncc2)sc(C)c1-c1ccc(C)cc1	1865862536	AGAOLBIJIWCZBN-UHFFFAOYSA-N	408.523	5.175	10	10	HKCE	
Cc1cccc(C(C)(C)C)c1OCc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1	1872857790	IKAHCVGYZVUERV-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	2034709113	COSZNZMJPPPQQD-UHFFFAOYSA-N	415.297	5.516	10	10	HKCE	
CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S	2053466792	BLMVCOIRBAKPBI-UHFFFAOYSA-N	419.575	5.459	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2095870112	KTBUYKZAEZUKTB-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100222642	KMIAUYJSAAYOCH-ONGXBYRLSA-N	417.391	5.289	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S	2296545535	YKZQDGMIOIFSMS-UHFFFAOYSA-N	405.548	5.069	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1	2297560134	QHUJSHVTJSFPPJ-UHFFFAOYSA-N	419.955	5.067	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1	2313540904	BGTSOVWACZBHIC-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2cc3ccccc3nc2N2CCCCC2)SC1=S	2314647747	GURGBGBDBJDJDV-OAHLLOKOSA-N	411.596	5.225	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1	6391389	PIGDSVGFADCIHR-GSWFEHRJSA-N	415.559	5.742	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	6391417	CFICJIJHFRZIQR-GSWFEHRJSA-N	415.559	5.886	10	10	HKCE	
CCOc1cccc(CN[C@H](C)c2cnn(-c3cccc4ccccc34)c2C)c1O	11839440	XFDRSUJNICMAMR-QGZVFWFLSA-N	401.510	5.289	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477154	RTCCFFTZQVHXFV-YGKZAACZSA-N	402.365	7.245	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549363	UMMMYUUJAWCKLE-BOCWGRARSA-N	421.540	6.845	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2)[C@@H]2CC=C[C@@H]32)cc1	20757977	YTYNTLVDDIWLOU-TZBSWOFLSA-N	410.517	6.164	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(/C=C1/C(=O)N(c3ccccc3)N=C1c1ccccc1)=C2	33523506	KCPUCEWAMVFVTN-LWJGVMBGSA-N	422.484	5.237	10	10	HKCE	
CC[C@H](C)N1C(=O)/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC1=S	208274427	GURGBGBDBJDJDV-FHHIAAGZSA-N	411.596	5.225	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1	1083906122	LNDJTMDZAAYKNN-QHCPKHFHSA-N	401.466	5.912	10	10	HKCE	
CC[C@@H](C)N(C(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917577	SUDAIQASZNUXHJ-NRMGUKERSA-N	423.512	5.615	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086454	IQSRWUAVJLQKGD-XSFVSMFZSA-N	422.962	6.489	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678899	JYDVPVAPIQQCFH-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
Oc1cccc(Cl)c1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br	2079822247	BDMFZRUPYMMVCX-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079998020	LBEPKZJKPBWGII-GOSISDBHSA-N	408.926	5.186	10	10	HKCE	
O=C1C(=Cc2ccc(Sc3ccccc3)o2)SC(=S)N1Cc1ccccc1	2293806434	VEULDROBVIMNIO-UHFFFAOYSA-N	409.557	5.832	10	10	HKCE	
COc1cc(N2N=C(C)C(=CNc3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl	2297465631	WSEFPDLXJXHBJD-UHFFFAOYSA-N	410.688	5.374	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	2321576597	YKZLSSPKIRTATC-UHFFFAOYSA-N	405.947	6.182	10	10	HKCE	
COc1cc(N2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c(OC)cc1Cl	2321629408	BTEWQJMXEOBHHV-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2c1	2321669698	KRYPBFSHYRSGFZ-UHFFFAOYSA-N	414.939	5.544	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321692190	LXFUAKHUZKXJRV-UHFFFAOYSA-N	423.481	5.898	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332094804	JIECKLJXBULDGL-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c1	2332119139	ICAOJQZDGURFHA-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
O=C1/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC(=S)N1Cc1ccco1	2411109	CNNUKOWZNIIGQX-LICLKQGHSA-N	424.528	5.551	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	3000668	HKFKLTKYMSXISC-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
C[C@H]1CCCN(c2cc(NCc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737984	PRBUYMIFRAPISI-KRWDZBQOSA-N	423.516	5.888	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1C	6886703	RAPKHGMLAOSHME-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13644802	STTQQGNHVOPDNP-OARDWFSCSA-N	416.609	6.928	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457858	DPKJBDROVRORMS-SKPFHBQLSA-N	410.583	5.125	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466098	JOKVQFWKOBXMKN-GCKMJXCFSA-N	416.974	5.243	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2)N1CCCCCC1	14466718	VIHIKQWEQDIELQ-JXQFQVJHSA-N	406.957	6.183	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467797	YCRJDTABVMDNPH-AUSJPIAWSA-N	404.337	6.704	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccnc2)N3)cc1	14547716	DPBHRRQQHMVCRP-PLXFJCCSSA-N	423.560	6.458	10	10	HKCE	
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1	40645448	ZPBUADWUBONKDE-CYYJNZCTSA-N	415.413	5.749	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1	59396732	PHISQDCLSGTOQL-AQTBWJFISA-N	414.508	5.180	10	10	HKCE	
O=C1Nc2c(cccc2C(F)(F)F)[C@H]1/N=N/c1ccc(C(=O)N2CCCCC2)cc1	103039023	YOGXXLNCRULPCX-RSKBYLLGSA-N	416.403	5.109	10	10	HKCE	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC[C@@H]2CCCO2)c1	108916863	LSVSCLMHYIRTFI-NRFANRHFSA-N	404.510	5.213	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NCc3ccccc3)ccc(NCc3ccccc3)c21	111920155	LEVZIKPSFVIDHR-UHFFFAOYSA-N	418.496	5.686	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226712233	POBILPMSIQMFII-RQBNJVACSA-N	416.952	7.058	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226745817	GVJNTUJTGYRXFO-JLHGSKIFSA-N	416.974	5.197	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226845689	VHGVTAPGPHFSSO-LNPFQXMTSA-N	415.364	6.805	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250644023	IHWDJQXAOWMCJY-NMMYMHLASA-N	416.452	6.139	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)C)cc2)N3)CC1	251703689	OHEHMBRGDULWOP-FKCDAAJZSA-N	414.593	6.509	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1CCc1ccccc1	1858586765	SPZPJAZOVMVWMJ-MHWRWJLKSA-N	422.344	5.032	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)N=C2CCC)cc1OCC	1865666585	NHPDDBFSMLDUEJ-HMMYKYKNSA-N	400.563	5.692	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079879519	DSICLQXAUFKBIF-OAHLLOKOSA-N	416.852	5.001	10	10	HKCE	
Cc1ccc(C)c(C2=CC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1	2313510631	XVZZIJMKCMKWDB-UHFFFAOYSA-N	416.904	6.517	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	2321684711	XCEHWEBISBDLJV-UHFFFAOYSA-N	422.619	6.206	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323850795	LWMMVZXMSQMQLY-AWEZNQCLSA-N	402.412	6.554	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@H](C)CC)ccc21	3586156	NVQLBKXHSHLQQB-HXUWFJFHSA-N	409.643	6.155	10	10	HKCE	
Cc1ccc(SCCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	7597183	AZHOPHYPHINPQW-UHFFFAOYSA-N	415.514	5.281	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	13914973	RFOOBEHMOYKJDK-UNOMPAQXSA-N	424.972	6.447	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544393	KABMSHVAWOAWIJ-OREGWCPLSA-N	415.533	6.090	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21	14547949	GJWINZDCVDKGHM-DGCWBMGLSA-N	416.735	7.332	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c[nH]c4ccccc24)N3)c1	14553659	LIFUDCJVGYBSOP-SBQVMTCPSA-N	419.528	6.555	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20705144	PEQKRNKVNCPNBB-TXTKFYIRSA-N	417.509	5.484	10	10	HKCE	
CCCN1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	33728072	BHTWGKFJCMIABY-WQRHYEAKSA-N	421.946	5.669	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(Br)cc1Br	36957028	CIRZJMWTYRDHCE-HZMBPMFUSA-N	411.137	5.886	10	10	HKCE	
COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1	53363309	FLBNVKNJODTHLM-LADGPHEKSA-N	406.913	5.585	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	59397114	ISRQLCCSJHUDRS-DYTQJMLRSA-N	401.384	5.464	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226778461	RTSHHLUEGYSHRG-LVCYWYKZSA-N	411.343	5.870	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	251369200	QKPUEGCSEQYURS-DZBFJFRRSA-N	424.610	5.713	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589606	AXIZNTMHWJHNBB-RWZPWVAFSA-N	414.365	5.368	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC	1860075392	SRDSRLWCZPLMER-WOJGMQOQSA-N	419.955	5.462	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860085297	CBZKCIULRRJOQH-LICLKQGHSA-N	424.374	6.188	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)cc1OCC	1865665094	AXWOIUWVIRVDJC-HMMYKYKNSA-N	424.516	5.595	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2OC)cc1	1865679292	FOHRSMBGGALSDQ-KGENOOAVSA-N	418.880	5.192	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(Cc4cccc5ccccc45)[nH]c3c2)c1	1872807383	KYAJZZGIPUULDE-UHFFFAOYSA-N	420.516	5.625	10	10	HKCE	
Cc1cc(NCc2cc(Br)cc(F)c2O)c(C)cc1Br	2203757549	VBXBAUGFGFTMCQ-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CC[C@@H](C)c1ccccc1OCCOc1cccc(C=C2SC(=S)NC2=O)c1	2297335550	AGPZARALFMYPHR-OAHLLOKOSA-N	413.564	5.147	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)SC2=S)cc1	2297455013	RPKHGJLWTNLPTJ-UHFFFAOYSA-N	409.507	5.796	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1	2321647551	IIPURIOBJKEPNZ-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c1	2444406	YGRURPWHCHGFES-OMCISZLKSA-N	409.294	5.093	10	10	HKCE	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)C1	6781988	IDRUJYAFCPWVHI-NHCUHLMSSA-N	412.577	6.141	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459860	CDXWCDJBOSRRDI-IXFSTUDKSA-N	418.537	5.099	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)c1ccccc1	14464729	CJCXXJDDDJJALQ-CKOJHNACSA-N	416.524	6.919	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465690	ZBBQYALDNISNMV-MXBUBSDBSA-N	408.929	5.075	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471406	AFYMRZQLYGGOLE-ZOCZFRKYSA-N	411.889	5.215	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552303	IOEPFYHSLFMQRX-VIZSFHNOSA-N	408.567	5.001	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	14553510	OYCICJUACXYXCE-ZEVJAHDQSA-N	410.517	6.082	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	20715810	ZPFPMLBAJUUGDW-IEGUWTFLSA-N	406.526	5.060	10	10	HKCE	
O=C(O)c1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	33446956	WUKCPHYOEOXDGM-VGOFMYFVSA-N	410.303	5.097	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(OC(C)C)cc3)c3cccs3)c(O)c2n1	54621501	QOWQMMBUBYQELR-QHCPKHFHSA-N	404.535	6.299	10	10	HKCE	
Cc1nccn1Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1	110842626	CKNNCVWQGKMKBN-UHFFFAOYSA-N	402.473	5.039	10	10	HKCE	
Cc1cc([N+](=O)[O-])cnc1O[C@@H](c1ccc(-n2c(C)ccc2C)cc1)C(F)(F)F	247940972	USUXLNLAGLGODT-SFHVURJKSA-N	405.376	5.388	10	10	HKCE	
CC(C)CCNc1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	256017848	BQCWTOWOXOCNFZ-UHFFFAOYSA-N	405.462	6.002	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(C)c2ccccc12	1865670586	HOQANLVWYBVDOK-CPNJWEJPSA-N	422.326	5.527	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Cl)cc1Br	1891105825	CYYYLNFEXOKHQN-YOEHRIQHSA-N	419.750	5.021	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1946820778	BSBHKOKDVKCVQZ-QFIPXVFZSA-N	419.588	5.635	10	10	HKCE	
CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Br	2079124034	GLOFAALRMSAMFK-KRWDZBQOSA-N	423.351	5.034	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2095888990	QMYJKYDQRIQUMO-UHFFFAOYSA-N	415.419	6.286	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)cc1Br	2186589199	DGVMMOAWHOVMGF-VHSXEESVSA-N	418.198	5.490	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(Br)c1	2231465648	POHXRLBDPMJUDO-PXNSSMCTSA-N	417.391	5.133	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1	2295914234	YFTZHXPYXMWNMQ-UHFFFAOYSA-N	424.591	5.178	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O	2296807971	FJVKYPWTOXCWME-UHFFFAOYSA-N	422.575	5.090	10	10	HKCE	
CCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C)CC2)SC1=S	2314647597	DYWYQARNNKBIEF-UHFFFAOYSA-N	411.596	5.082	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC	2321614907	KLKHMHUKDLEYSQ-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2ccccc2Cl)N=C1c1ccccc1	2332133753	WJUVZYXMQJCBOQ-UHFFFAOYSA-N	416.908	5.962	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13636067	KSYBJFKDSTXEML-DPZBCOQUSA-N	411.545	6.533	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2)N3)CC1	14460631	GYIXTIZJQIPJHO-IMSXRSKXSA-N	406.957	6.039	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461190	NYLITMLDNUZGDG-QYWGDWMGSA-N	414.343	6.160	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14463031	MNRKWRVOAFZVJO-VRIJDZSUSA-N	416.565	5.545	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCCCCC1	14464601	XGGXAOCNXKAFPP-CKOJHNACSA-N	422.572	6.683	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@H]3CN42)c1	17264438	OSXPNPRPAJYLGH-KTCXRXHYSA-N	420.512	6.642	10	10	HKCE	
CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1	33908985	NGVJOMLEXYUZJT-MFOYZWKCSA-N	422.337	5.165	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccnc2)N3)cc1	226899106	DPBHRRQQHMVCRP-JQYIIUTOSA-N	423.560	6.458	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	311309135	QONGVRLCTMBRQE-CVEARBPZSA-N	403.350	5.015	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858590284	HTDCXMQBBMOGFM-RIYZIHGNSA-N	402.412	6.409	10	10	HKCE	
CC(C)N(C(=O)c1cccc(Cl)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891630	IWKONVMOEZNPNE-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1cccc(C(F)(F)F)c1	1860074833	RCAPQHATNGHEEG-MKMNVTDBSA-N	401.381	5.389	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)ccc1[N+](=O)[O-]	1860087820	VKXIBUVALOWQSQ-OVCLIPMQSA-N	408.863	5.102	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865653991	CTWISKWHSXCPDW-ATVHPVEESA-N	411.263	5.967	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(C(C)(C)C)cc2)cc1	1865658713	QQQGPIMJEDXFIJ-XIEYBQDHSA-N	424.544	6.136	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccccn2)cc1	1865673285	XAROFMMZCINRKG-HAVVHWLPSA-N	405.457	5.078	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080022164	GLJUYTLKVBDQMM-LJQANCHMSA-N	418.965	5.723	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Br)c2ccccc12	2297100762	DVKGAPHIKAHATG-UHFFFAOYSA-N	420.310	5.629	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O2)cc1	2297329690	CODHHZDGGRWYSM-UHFFFAOYSA-N	407.809	5.798	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12	2313681398	DBQONGVPGPOACQ-UHFFFAOYSA-N	418.516	5.224	10	10	HKCE	
CC(C)=C(Br)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	2317925081	KWWWABQQHZVSQA-UHFFFAOYSA-N	409.368	5.153	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N([C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	2323680903	VDAYKMGIJZWUPH-WSMBLCCSSA-N	412.580	5.202	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl	3460752	JZOBUKUXXRBIIU-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
O=[N+]([O-])c1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)ccc1Cl	6971297	WEVPXBSNJYPFKD-XWCIJXRUSA-N	405.679	5.837	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2	12630576	BPZMYJPKCXFYRX-OAVHHTNSSA-N	418.718	5.716	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14460522	NBFUNIYHMGJABX-PLXFJCCSSA-N	417.936	6.624	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463333	ROJNRYBHCISAJD-IWVFXYMLSA-N	415.621	7.986	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21)N1CCCCCC1	14466296	RIIZAYKZASOHEE-BSRJHKFKSA-N	406.957	6.183	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2Cl)[C@H]2CC=C[C@H]32)CC1	14466308	GVBGNUHJUORRMF-BSRJHKFKSA-N	406.957	6.039	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14544004	XVCSMHMUIJRWRM-MOMDTQCHSA-N	419.524	7.467	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545063	HTIPGDOOJFLIFM-ZCUZBQTDSA-N	412.577	7.344	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14549551	MVIHFJPKVULNCX-HFMPRLQTSA-N	420.509	5.453	10	10	HKCE	
Nc1ccc(Oc2ccc(-c3nn(-c4ccc(N)cc4)c(=O)c4ccccc34)cc2)cc1	32296430	RGAUDZCZLUZPOR-UHFFFAOYSA-N	420.472	5.009	10	10	HKCE	
CCCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(C)c(C)c3)C(=O)N=C2S1	32964210	RZSUFLJHBGBBCJ-VKXGLNTFSA-N	419.554	5.294	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cccc(OC)c3O)C2)cc1	53362931	VLZXDSMODMSCEQ-ZJSXRUAMSA-N	422.912	5.285	10	10	HKCE	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)C/N=N/c2ccc3c(c2)OCO3)cc1	107944122	HRYJFFYAZXZTQY-OCEACIFDSA-N	410.514	5.861	10	10	HKCE	
COc1ccc(OC)c(-c2nc(NCc3c(O)ccc4ccccc34)sc2C)c1	197564272	LBEDBTIEVJKCPN-UHFFFAOYSA-N	406.507	5.607	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226705768	IFLKRTXWBGMSOM-ZOCZFRKYSA-N	400.316	5.768	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226707282	DGIPOMBVNPBQQH-WHSLLNHNSA-N	401.337	6.559	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226905703	JQGGZAGPDYUVIM-NYULUDCUSA-N	404.513	6.778	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309788419	ANTSIIYELMDATD-UHFFFAOYSA-N	423.398	6.154	10	10	HKCE	
C[C@@H](NCc1cccc(Br)c1O)c1ccc(NC(=O)OC(C)(C)C)cc1	311302259	JTHYGSKBQKGANM-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	1084369837	ZSQQGPKYOJVNJN-LHHJGKSTSA-N	400.739	6.053	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OCC	1865665310	MRHKYUQIUQAVGV-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCCCCCOc1c(Br)cc(/C=C2/C(=O)N(C)N=C2CC)cc1OC	1865666226	FOLLYVJLZVAZKY-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
Cc1cccc(O)c1CNc1ccc(Cl)c(I)c1Cl	2104511433	XBXXNMMMASQFGH-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321647899	ZFXVNFDXMLDLBY-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)c2ccccc21	2332128997	ZXHOHYDWFHTSIL-UHFFFAOYSA-N	403.791	5.180	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3ccccc3OC(C)C)C2=O)cc1	2332133653	KTUGTCGIGMMAEO-UHFFFAOYSA-N	410.517	5.612	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1	4729456	NAFXRZWOCSMECU-NVQXNPDNSA-N	416.521	5.194	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2	13640456	GHYVEBGSMRUQHU-XLNZFTOWSA-N	406.526	5.187	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1	13644957	JYKQUFQCEQAVGT-PLXFJCCSSA-N	415.581	5.451	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691364	CEKVMWCQEPDYNA-VBANMALSSA-N	414.593	6.501	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	20713007	AFYWQWGRZIXZKP-PNCHPQGNSA-N	411.461	5.674	10	10	HKCE	
CCCCc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])S2)cc1	39870104	NRQBFWFFVKAENS-FJEAZPSFSA-N	407.495	5.576	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3O)C2)cc1	53363081	QOASSDIYKPBDQY-NOZRDPDXSA-N	402.494	5.022	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1	54620819	LMFCGUVZFWMJJK-HSZRJFAPSA-N	416.477	5.610	10	10	HKCE	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccccc1F	83292924	MDZQHJOJMKMZDM-UNOMPAQXSA-N	417.527	5.025	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	250576500	KCTFBQCMQXJCDK-XXAUWVGASA-N	407.513	6.837	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccc(F)cc1	1858591670	UVTRTJQLAYSFNY-CXUHLZMHSA-N	412.338	5.576	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC	1865669862	ZWTYDXAPBUHCPT-KGENOOAVSA-N	410.489	5.205	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)cc4Cl)ccc3[nH]2)cc1	1872738537	BQUXXRDYAPGEKQ-UHFFFAOYSA-N	408.864	5.341	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(C)C)cc1Br	2034696934	XMWFGGFHPYJLHG-UHFFFAOYSA-N	403.408	5.857	10	10	HKCE	
Oc1cc(Cl)ccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br	2079826078	JPAOREGECARREQ-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
CCCNCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(Br)c1	2129820136	QPPRCBGLYUWGQE-FQEVSTJZSA-N	417.391	5.134	10	10	HKCE	
CC(C)(C)OC(=O)NCc1cc(F)ccc1NCc1cc(Cl)cc(Cl)c1O	2283881278	YGLISQDDBMBQQS-UHFFFAOYSA-N	415.292	5.475	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2314534096	YHIZHGRWUIFNOV-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141210	LEERIWNPBMCCCD-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3C)C3CCCC3)ccc21	3585786	ZJMTXHHQARQMNB-UHFFFAOYSA-N	421.654	6.218	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13638606	CLOCEHIBLPFJOB-LQWHRVPQSA-N	412.327	5.842	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549144	OPYCGPNRMNLGAO-VMODYCNZSA-N	406.485	7.036	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549335	JBBCXSYCLCKWFE-BOCWGRARSA-N	405.541	7.608	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	20699087	SBEKMBZEFMXAST-QFZWGZQFSA-N	412.533	5.433	10	10	HKCE	
CCCNC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(SC)cc1	23325889	DDGCMMZSCJVICR-UHFFFAOYSA-N	408.567	5.334	10	10	HKCE	
Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccccc3O)CC2)cc1	34683358	UROLXLPBOSHRIX-UHFFFAOYSA-N	414.549	5.320	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C(\C)c3ccc(Cl)cc3)SC2=S)cc1	39859095	PVVCPLPPEKFGIJ-RGEXLXHISA-N	401.984	6.479	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	226693479	KKVXUGIWGJMHFH-WHSLLNHNSA-N	411.889	5.813	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858588504	JPJCMIXHRRLUQR-WTTUOHCKSA-N	412.407	6.019	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC3=CCCCC3)C2=O)cc1	1858591142	ZHBIRUQUHHIRKF-CAPFRKAQSA-N	400.613	5.625	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	1860084464	ZMOFVCLOAPPXQL-OVCLIPMQSA-N	422.940	5.376	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1OC	1865677482	LNPWZXAKXIMDLA-JXAWBTAJSA-N	418.880	5.192	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079002102	BXVNUSHKHUISLK-FQEVSTJZSA-N	402.922	5.384	10	10	HKCE	
Oc1cc(F)ccc1CNc1ccc(Cl)c(I)c1Cl	2139876309	QGKRQVLIWKHHMD-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2294028548	UVVRZAKBYZIAOW-UHFFFAOYSA-N	416.304	5.175	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(OCc2cccc3ccccc23)c1	2313538530	NTSBOKLRQAIIEF-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	2332119325	BIAIXMSIMZRODZ-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1	5839061	PEIRAQYQMXXOCA-FMQUCBEESA-N	412.671	6.429	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14458058	LZTAVKUEEFISSX-QVNGGLPSSA-N	423.600	7.450	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459382	PHTXWGUVEIPTHO-HLFMIMNKSA-N	412.917	5.619	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460608	GTFSXTJKNIFVPV-JNEVIBOXSA-N	416.974	5.243	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544358	SZPKUOCVJFGKJQ-YZIHRLCOSA-N	401.506	5.700	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2	14546397	YJDXGKPRCHBVTD-ZYLNGJIFSA-N	404.554	5.784	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2cccc(C)c2)C1=O)=C\c1ccccc1	15045793	FENWACQMNARCSF-ITZIZTMESA-N	422.575	5.170	10	10	HKCE	
COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1	33417096	PLTJKQCCOWFFAA-UYRXBGFRSA-N	421.499	5.139	10	10	HKCE	
CC(C)CN(C)C(=O)c1ccc(/N=N/[C@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1	102095841	PPCFLDXSMKVOSH-RSKBYLLGSA-N	418.419	5.211	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(Cl)c2)N3)c1	226804436	CTRTXMMWRPNZDJ-OTNCWRBYSA-N	414.936	6.727	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1Cl	1860084819	NUCZVNURDCGUHO-GIDUJCDVSA-N	410.303	5.128	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC	1860086329	YZOIWYHZGQKQBT-KGENOOAVSA-N	421.543	5.653	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cccs2)cc1	1865670867	WKHRKXBPWMGHME-DEDYPNTBSA-N	408.910	5.240	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	1865675298	ZLBUZFWYTKLVNL-HKWRFOASSA-N	418.899	5.872	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)cc1Br	1914856528	CUDMPVVJVFCSMD-HZPDHXFCSA-N	416.384	6.332	10	10	HKCE	
NCc1cc(F)c(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946807838	FNXHDDRQNCFXNW-UHFFFAOYSA-N	405.233	5.006	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(Br)c1C(F)F	2079003024	SMSDVTOZWJWTOA-UHFFFAOYSA-N	411.168	5.233	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccco1	2296661454	ZWDNQFFIQAZPPC-UHFFFAOYSA-N	401.896	5.594	10	10	HKCE	
COc1ccc(C2=NC(=Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1	2297453983	SGKCGBYXHQKVBI-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)c1	2321604275	XCKNGUDLTMBHBJ-UHFFFAOYSA-N	403.956	5.843	10	10	HKCE	
Cc1cc(C=CC(=O)NCCC2=CCCCC2)c(C)n1-c1ccc(C(F)(F)F)cc1	2324532302	PQZIEUMPSZUBFA-UHFFFAOYSA-N	416.487	6.133	10	10	HKCE	
CCN(CC)c1ccc(C=C2c3cc(C(C)=O)ccc3-c3ccc(C(C)=O)cc32)cc1	3090400	QDKOQGYYBVPTOW-UHFFFAOYSA-N	409.529	6.507	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14465388	IVOTVVCALWYQOV-FXSPECFOSA-N	417.936	6.624	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469454	DOHASHBYCPGDRI-ZEZDXWPOSA-N	424.588	6.938	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473509	UPPVFOMXOMRVIW-ZMPRRUGASA-N	411.889	5.813	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755464	CAJJNNJSUNCPRK-PLXFJCCSSA-N	424.544	5.794	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363230	ZWQPOXZWJIXIDQ-LADGPHEKSA-N	408.904	5.970	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226721649	XZWGDOWADXNFHI-MVERNJQCSA-N	406.570	5.775	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCC[C@H]1CN(Cc1ccccc1)C2	380520591	BNDLDULNFGNSLK-AVRDEDQJSA-N	405.369	5.091	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC	1860084878	UJBPVYODUFNKMY-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1	1860085014	GDXALLISFWJIBD-CPNJWEJPSA-N	411.548	5.161	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2sccc2C)cc1	1865670733	OORWCPNJFPGISV-CPNJWEJPSA-N	422.937	5.549	10	10	HKCE	
CCCC[C@@H](CC)CC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC	1866107087	UPDUDDQCWOQVEK-QGZVFWFLSA-N	401.572	6.364	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2cccnc2)sc(C)c1-c1ccc(C)cc1	1866162518	JIWRAAUCFBQDIF-HNNXBMFYSA-N	408.523	5.346	10	10	HKCE	
CC(C)NCc1ccc(N(CCC(C)(C)O)Cc2ccccc2)cc1Br	1915788727	PVKZABHKKBQTOK-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2c(O)cccc2Br)c1Br	2079711574	FNFNYIRPVNAARP-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2cc(Br)c(Br)s2)cc1	2163132976	IGSJPTXVCSNQEU-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(F)c(C(F)(F)F)c3)o2)SC(=S)N1C1CC1	2294821394	SWVCWJDYHFLZRO-UHFFFAOYSA-N	413.417	5.468	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	2296033239	TWSAWMFWGIVGAX-UHFFFAOYSA-N	406.359	6.346	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c(C)c1	2296728846	ZZNYWYIRKYWCMT-UHFFFAOYSA-N	411.549	7.668	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1ccc(F)cc1F	2321754113	ZVCZWCYVVRCZIX-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332116736	TWEYIFIKPYXKFC-UHFFFAOYSA-N	417.336	6.369	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(C(F)(F)F)cc2)cc1	2332140727	FOLLTUIZJYCOGD-UHFFFAOYSA-N	422.406	5.549	10	10	HKCE	
CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S	2673000	QVTJNHWQRUBZKH-RGEXLXHISA-N	411.548	5.216	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479697	YMMJJUCSHZLBFB-WDEBQMKVSA-N	406.526	5.059	10	10	HKCE	
Cc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCC(=O)O)C1=O	16926418	QBKQJSQPGGOYOM-SDXDJHTJSA-N	405.585	5.402	10	10	HKCE	
Cc1ccnc(CNC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1	243341025	LSWDHBOYRRXSGX-UHFFFAOYSA-N	404.564	5.462	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cccc(Cl)c1Cl	1084303166	CXKQTFKSDVIOLJ-GZTJUZNOSA-N	416.304	5.175	10	10	HKCE	
O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1	1084366845	NAVRUXPDWCLSKU-RFUMYBEHSA-N	402.884	5.210	10	10	HKCE	
Nc1nc(-c2ccccc2)c(N=Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1	1088734451	BUUPDSRVLBIFBQ-UHFFFAOYSA-N	406.898	7.253	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1	1860073593	WFGWYHAUYCFAJW-MKMNVTDBSA-N	418.729	6.192	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	1860085359	GKDGMGFRLPXFOX-HMMYKYKNSA-N	410.564	5.091	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1860086182	OZBKTGWITYIFAY-KGENOOAVSA-N	405.544	6.033	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cccc4ccccc34)C2=O)c1	1865658807	SMBUGWUPIKWIBO-IMRQLAEWSA-N	416.524	6.287	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C)cc3Br)c2C)cc1	1874144796	NEQRCQXDVHVAMW-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079041061	UUSJGJJRAKFMHV-HNNXBMFYSA-N	418.843	5.382	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H]1CC12CCC(NCc1cc(Cl)cc(Cl)c1O)CC2	2146637228	CBNSHSGJVIIRDS-FXUPRZHBSA-N	415.361	5.015	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1	2296680715	KGDANWDCPMPWLM-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccccc2OCc2cccc(F)c2)SC1=S	2297363017	LBENXRGFUXTANA-UHFFFAOYSA-N	401.528	5.262	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC	2321602914	RSHLUNCPNZVVSL-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1cc(F)ccc1F	2321758022	WDMXCUGPHIAGBJ-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(C3CCCCCC3)C2=O)cc1OC	2323739997	JXXIUVDSNXFEDC-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc2c(c1)OCCO2	2332127441	YKSFRXBFOKRRBQ-UHFFFAOYSA-N	417.292	5.351	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	13643484	JLINHHBPCIZGGA-QKLQHJQFSA-N	416.306	5.184	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469685	LLJDMHPKUSZSEN-IMSXRSKXSA-N	414.461	5.706	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1Cl	14470610	GAPSBDUVJXYNON-GLDPYIMESA-N	418.880	6.867	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14472722	ZKCUFOFOISQHHO-GCKMJXCFSA-N	412.873	5.642	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc4ccccc4c2)N3)CC1	14475532	KHUFXWSYIMYKJK-OARDWFSCSA-N	422.572	6.538	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477291	IKMQJQRVVJSKCK-ZMPRRUGASA-N	415.364	6.350	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479629	BXOAHSOVSPWXLQ-AEFRCRGFSA-N	406.526	5.059	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764644	QYYUDNNKBVTBBK-LADGPHEKSA-N	424.903	5.806	10	10	HKCE	
CCCCN1C(=O)/C(=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21	33397206	IWPNSOLOZISVDR-FMQUCBEESA-N	422.575	5.226	10	10	HKCE	
Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12	33448418	WBSFROGDNOTYDQ-KQWNVCNZSA-N	407.473	5.345	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226726882	GWNSDYSVCXAXDG-LNEBKTTKSA-N	418.581	5.917	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)o1	1083986114	DTFVAMGYVWYWCW-HYARGMPZSA-N	415.449	5.532	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860086395	DWODVRYTXWPHMK-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
O=[N+]([O-])c1cccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	1860486647	CVONXOAWMPSMLB-OCOZRVBESA-N	401.470	5.001	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668748	NPIPMAFGUIRUGF-WGOQTCKBSA-N	410.517	5.684	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1	1865676026	MLNCVDMVOXTOQR-KQWNVCNZSA-N	414.480	5.443	10	10	HKCE	
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1	1865931757	QWPVWYDCODNYPT-UHFFFAOYSA-N	418.537	6.156	10	10	HKCE	
C/C=C/C=C/C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC	1866014328	HGWOUXFLHITSMZ-YTXTXJHMSA-N	420.328	5.343	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(N(C)C)c2)sc(C)c1-c1ccc(C)c(C)c1	1866044387	BRRXWEGRMWPUJD-UHFFFAOYSA-N	422.550	5.445	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ccccc3n2)sc(C)c1-c1ccccc1	1866145794	FIEHLOGIURNKTI-UHFFFAOYSA-N	402.475	5.311	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1cccc(NCc2c(O)cccc2Br)c1	2040726659	WCDYZPUEJVIVQK-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)C)cc1Br	2223532914	UGITWQZSKGASBO-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
CCCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2296880266	ZMXNLVGRNPHSBL-UHFFFAOYSA-N	411.976	5.055	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)C=Cc3cccc(Cl)c3)cc12	2297332714	VDLOYHPPGYEXEA-UHFFFAOYSA-N	405.929	5.839	10	10	HKCE	
COc1ccc(OC)c(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1	2314736269	CEHRLCHZQHGRLZ-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3cccc(OCC)c3O)SC2=S)cc1	2321592560	KIRNQSKYTBIWLM-UHFFFAOYSA-N	413.564	5.539	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)cc1	2321703747	KDWOAUFYWHTMDC-UHFFFAOYSA-N	413.564	5.526	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CCC3=CCCCC3)C2=O)ccc1OC	2323839998	YHCSZEIJLJULCC-UHFFFAOYSA-N	403.569	5.186	10	10	HKCE	
Oc1ccc(Cl)cc1[C@@H](c1ccccc1)n1c(-c2ccccn2)nc2ccccc21	5635416	ZBCDZJSRJWKZSH-XMMPIXPASA-N	411.892	6.095	10	10	HKCE	
Brc1ccc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1	6971299	KLYFCRCTRIKBNK-JJRVBVJISA-N	405.133	6.038	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13643545	VNIPOXQTKAPXPQ-WRALFONMSA-N	409.533	5.831	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458493	SRQJNBHRBAYZBJ-FXSPECFOSA-N	408.545	5.794	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14458955	IZUIAUYTMUFVJT-JXQFQVJHSA-N	412.489	5.480	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	14467080	QXCVRUAVKUWNMQ-PSVSLLHZSA-N	401.120	6.832	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCC1	14548047	SSVOLFUCYIDHME-BNIKKZEQSA-N	410.517	5.608	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	14549789	XDZPCMUZVWSPLO-AWRGLXIESA-N	404.529	6.057	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14552416	GIMFIBXTPBAHBX-OARDWFSCSA-N	422.572	7.197	10	10	HKCE	
Oc1ccc(Cl)cc1CN1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1	37522271	ITDGEYXIJAACIY-OAQYLSRUSA-N	420.862	5.861	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226808185	XFKDDECNWDTHFD-OTNCWRBYSA-N	414.936	6.727	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1OC	1865669185	GEFFEMXSMPOFRX-CJLVFECKSA-N	406.526	5.456	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(N(CC)Cc3ccccc3)cc2)C1=O	1865675185	STSHLILVSZGGTO-HKWRFOASSA-N	415.459	5.267	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)c2N)sc(C)c1-c1ccc(C)cc1	1866169982	AQPFJDOKOGIABO-UHFFFAOYSA-N	414.914	5.306	10	10	HKCE	
CC(C)(C)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2223532160	HLBJTMGLJLWVNY-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
CC(C)[C@@]1(NCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	2290019727	USAVBMSZQOPPIU-HXUWFJFHSA-N	417.377	5.214	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	2297469071	OZHRLRNSXVOLJN-UHFFFAOYSA-N	417.321	5.178	10	10	HKCE	
CC(Nc1ccccc1Cl)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682735	JNRKXNPEBPXHRS-UHFFFAOYSA-N	405.860	5.616	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Cl)cc1	2321721590	QFCAIQAFYRADHO-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323802856	XVGSVFAVRAVMGV-UHFFFAOYSA-N	412.418	5.865	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccc(O)cc2)cc1	2332099554	FZEQCCPTGPNAEH-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CCC)cc1	2332119097	CXTIPPMREFAMOT-UHFFFAOYSA-N	414.908	5.850	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)ccc1OC(C)C	2332125519	LGHNOBZMKHQWHH-UHFFFAOYSA-N	400.478	5.442	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479508	JKIZRSQMQGLJHI-SWYRRKHMSA-N	407.554	6.489	10	10	HKCE	
Cc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCCc2ccccc21	35565144	CMQWYMTUSMXJCL-AREMUKBSSA-N	413.565	6.173	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1	59396878	SREOINSKWOXWRF-MOSHPQCFSA-N	413.564	5.451	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1	100147769	HLQBKMMEKREVLL-HMAPJEAMSA-N	420.871	5.864	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086425	HARBCBXECHCDDN-DEDYPNTBSA-N	424.497	6.114	10	10	HKCE	
CCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871103637	NARLPTAGOAFTPS-UHFFFAOYSA-N	405.542	5.793	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034703143	YYISCQOPGXYFFF-KRWDZBQOSA-N	401.392	6.056	10	10	HKCE	
CC(C)NCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(Br)c1	2129817161	HOSHRXZLWZUIKF-HXUWFJFHSA-N	417.391	5.133	10	10	HKCE	
COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1	2313681519	GZVOEKGXYUAVFE-UHFFFAOYSA-N	413.477	5.596	10	10	HKCE	
O=C1C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1Cc1ccco1	2314487522	JAEPBGFPKLUDAE-UHFFFAOYSA-N	418.499	5.489	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	2326823502	OHOVIVUCNUUCHH-UHFFFAOYSA-N	405.519	5.779	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2c(OC)ccc3ccccc23)cc1	2332113890	VJKRUHBBFICEMP-UHFFFAOYSA-N	414.505	5.143	10	10	HKCE	
O=C(CCC(=O)c1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	10909375	FSPWRVDUIURMIO-MHZLTWQESA-N	409.485	5.414	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(cccc4[N+](=O)[O-])[C@H]4C=CC[C@H]43)ccc21	13642554	OMJFVEBZXFLYMA-MVIPISOYSA-N	409.489	6.549	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458198	AEPYVOSSIPBWCB-QONNDPFASA-N	422.572	6.715	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465090	HXIMPCSTCDQPQI-JTAQYXEDSA-N	406.957	6.229	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14472129	GEVVXZFCRZJYQI-ZEVJAHDQSA-N	412.489	6.043	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476465	UZGRYMUEYBONPF-LZCXECNNSA-N	411.501	5.879	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477639	OLKRQNQNWYLUQD-BXTJHSDWSA-N	415.364	6.348	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549259	PDVXXLUOGCQMHN-ZYLNGJIFSA-N	416.351	8.126	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	14551152	BOUFHCQDRIXCRF-IMSXRSKXSA-N	411.461	5.674	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)cc1	20071277	NCALGPLTBLDDCX-RDGATRHJSA-N	416.477	5.042	10	10	HKCE	
CN1C(=O)/C(=C/c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S	34112101	FNIIDELHNIEDOI-ZROIWOOFSA-N	423.346	5.077	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374650	PDVXXLUOGCQMHN-DFIYOIEZSA-N	416.351	8.126	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3ccc(C)c(C)c3)C2=O)cc1	205955074	IZZZRHVQPYNVHC-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226742076	IOIBVUREWRIWRN-MPCDZSKCSA-N	420.509	5.186	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2)c1ccccc1	226907366	YBBVWSWBIPMBOB-REHUZNOOSA-N	400.547	6.241	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1C	526221632	JQFXZTBWZVRUAF-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)ccc1O	1860085072	KMSHLEVVHHBRGU-UDWIEESQSA-N	423.515	5.056	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679416	LZCGNMMRQSSJAS-YZSQISJMSA-N	424.544	6.074	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	1865679921	NGBGQZXTMOSFRI-LDADJPATSA-N	417.734	5.684	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)sc(C)c1-c1ccc(Cl)cc1	1866035689	SPFQDAABCFKBJE-JLJPHGGASA-N	415.942	5.704	10	10	HKCE	
CC1(c2nn(Cc3cccc(Cl)c3O)c(Br)c2C(F)(F)F)CC1	2079827490	PJWWKAPLXHVKGJ-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2Br)cc1C	2080035128	QLDBDYWWJBSWRG-AWEZNQCLSA-N	419.241	5.045	10	10	HKCE	
O=C1C(=Cc2ccsc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629368	PVGDCTJSBWWMLK-UHFFFAOYSA-N	405.875	5.826	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1OC	2321689131	MIBNSAAGYBEYAW-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1	2323854317	JZYOEQMHTOFZJW-UHFFFAOYSA-N	413.608	5.644	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332119131	HADZHWHBVCTZHZ-UHFFFAOYSA-N	410.517	6.079	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)c1	2332119308	YPIZKFUGCIIMMB-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	2332130782	VBQYJFWFWKVGQX-UHFFFAOYSA-N	419.422	5.016	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	1461921	BFPNPUOQODBWAM-WRALFONMSA-N	416.546	5.622	10	10	HKCE	
CCOc1ccc(C2=Nc3ccccc3N[C@@](C)(c3ccc(OCC)cc3)C2)cc1	5737035	WSKIMPHQCOGFJJ-AREMUKBSSA-N	400.522	6.336	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(N(C)C)cc2)[C@H]2CC=C[C@H]32)CC1	13644375	ABMUIXYJEWYBFJ-HWBMXIPRSA-N	415.581	5.451	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458541	NZVQHNPIDDLHCY-FXSPECFOSA-N	408.545	6.094	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466052	GVJNTUJTGYRXFO-HYFFOGBASA-N	416.974	5.197	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470043	HEFNWMJAQKCSEZ-FXSPECFOSA-N	424.544	5.842	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477004	MRWYCNKYAOHQHG-LRDNONRASA-N	423.365	5.070	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	14549976	DYZKMTHQMWCNJX-FBLLAGFSSA-N	412.508	6.319	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)c1	14553580	OCTGVUZWDHKZAW-HWBMXIPRSA-N	414.936	6.727	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710507	WFHWCCPGJAAVQG-IECBHUPTSA-N	414.461	5.706	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363223	DUZDJHPOKCPIRF-JYFHCDHNSA-N	418.512	5.715	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363375	OMVQSYOWILAEKX-RCZVLFRGSA-N	420.484	5.161	10	10	HKCE	
CN(C)c1ccc([C@@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccccc2)cc1	59462696	GVXDCNCPJCUUJJ-NDEPHWFRSA-N	418.544	6.140	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226781644	WRDLCEWZUULMMZ-KHCICDEESA-N	409.526	5.718	10	10	HKCE	
COc1ccccc1-c1noc(CNc2ccc(Cl)cc2C(=O)c2ccccc2)n1	248185995	HORYYEFBVAKZTB-UHFFFAOYSA-N	419.868	5.242	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C/C(=O)O)cc1Br	385248436	KGLDMRXVRDNZJT-JQVXPOPVSA-N	400.316	5.352	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	385436717	BDFYBZWDOVBOKX-KRWDZBQOSA-N	415.419	6.142	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1	526495423	IXXANCJGCAORNB-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	1860085609	DRIIBXFJWWEMHU-RCCKNPSSSA-N	418.543	5.087	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2CC)cc1OCC	1865666271	HMDALRYOPRCPJO-QGOAFFKASA-N	412.917	5.329	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(F)cc2F)cc1	1865673394	BRJVWEZCGJBLSP-UDWIEESQSA-N	424.834	5.461	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2223539745	QIFPRPLQWYXYLK-KRWDZBQOSA-N	401.392	5.754	10	10	HKCE	
C[C@@H](c1cc(Br)c(Br)s1)N(C)Cc1ccc(N)cc1	2266533161	DOWZSLBFCBVAAN-VIFPVBQESA-N	404.171	5.048	10	10	HKCE	
CN1C(=O)C(=Cc2ccccc2OCc2c(Cl)cccc2Cl)SC1=S	2293261719	NFXNYXZWEWUWRZ-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CC(=O)N(C=CC=CC=C1SC(=S)N(Cc2ccccc2)C1=O)c1ccccc1	2294737352	FPCSFEIRRCDMQE-UHFFFAOYSA-N	420.559	5.054	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	2313609483	JRQIOAPNXXNQKU-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
Cc1cc(O)ccc1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2321624740	JRUNXNJJHLMKGG-UHFFFAOYSA-N	424.316	5.008	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1	2321643974	KCIHHKNODWNYEZ-UHFFFAOYSA-N	402.522	5.031	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccc(C)cc1	2332107528	KLWYCOBOWLGFPF-UHFFFAOYSA-N	406.526	5.230	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332122521	ZSPWWPTUVPMEPB-UHFFFAOYSA-N	418.496	6.073	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	13636237	JIIUXHZJZLTCMQ-FBLLAGFSSA-N	402.538	5.394	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2)c1ccccc1	13640550	KYYSMRZXLCAHFA-ZYLNGJIFSA-N	412.489	5.201	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl	14476884	DDXYSCCSUVVTDE-NXMSCROESA-N	407.344	7.564	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547065	NFRMCECCLVHRKN-POUQZMQPSA-N	415.364	6.348	10	10	HKCE	
COCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	33436373	VCGSSJYVDPYDIO-NTEUORMPSA-N	414.335	5.101	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	226695417	MMRYWHATPBOGMI-PQNGQFLHSA-N	411.461	5.674	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1OC	226855256	QIRXAVBXZRZIBZ-IMWIBFENSA-N	418.537	5.156	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cccc(Cl)c1Br	715735253	DGNMGEDJHGXTRW-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	1858590007	STIUIGQYMZEGKO-UPLXUCPZSA-N	423.603	6.046	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccc1F	1891362683	YJZNVGUEYAVQMQ-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br	1915477829	FLAYYXGUWAZUCC-INIZCTEOSA-N	405.380	5.161	10	10	HKCE	
O=C1N=C(c2ccc(Br)cc2)SC1=Cc1c(Cl)cccc1Cl	2053623303	QJHIGXIUYPRNJN-UHFFFAOYSA-N	413.123	5.817	10	10	HKCE	
CCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1I	2185104498	WEODXHORPQZMRM-UHFFFAOYSA-N	422.093	5.478	10	10	HKCE	
CC(=O)Oc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2297357099	AYIXWIPHRUBZGR-UHFFFAOYSA-N	424.330	5.325	10	10	HKCE	
CC(Nc1cc(Cl)ccc1Cl)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683427	ZTQYYLLXJNXDJR-UHFFFAOYSA-N	422.315	6.130	10	10	HKCE	
CCCCOCCCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323744107	YKMYGDUPNQIGGA-UHFFFAOYSA-N	404.384	5.401	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cccc3ccccc23)cc1	2332099958	WBXFTBBPSHFJNK-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1	6782108	KQUCTIPQQLVYJA-IBGZPJMESA-N	402.538	5.035	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CC[C@H](C)C2	6878000	HMCCDACSMNACEL-IBGZPJMESA-N	416.565	5.628	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460655	FVIZUQMJBXIGFP-IMSXRSKXSA-N	408.973	6.429	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475327	KBZVLYRMQROZBR-TUGCOKMYSA-N	424.544	5.575	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477878	QNRZBEILOWIELE-WHSLLNHNSA-N	417.336	5.196	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710492	DYPWOUKXZMWTRH-KYTVRQNUSA-N	413.517	6.109	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	20713189	NBRUXGAUFBCOTC-STSQHVNTSA-N	417.509	5.484	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21	20752873	FLZNRVLWCMIHJP-WXVUKLJWSA-N	400.547	5.847	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1cc(Br)ccc1Br	37121846	OKWINKBDELBMLE-HZMBPMFUSA-N	411.137	5.886	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2F)cc1	526201430	ZZZLDZXXRGXTCU-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865676282	ZZRDXFRAIAHCDC-LFVJCYFKSA-N	410.473	5.016	10	10	HKCE	
CCCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873421877	VORPMUYWZWUGEY-UHFFFAOYSA-N	413.521	5.005	10	10	HKCE	
Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	1891922320	MJKQEXFCBLAYBM-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@H](N)c1ccc(N2CCCCC2)cc1)Cc1ccccc1	1999538146	JYOULHPRQQKLHP-DEOSSOPVSA-N	423.601	5.504	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](CC)c2cc(C)c(C)cc2O)c1Br	2079972699	YOQQCMZRKOLDGP-OAHLLOKOSA-N	423.351	5.268	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	2159222820	WFFVYFBXYYLNMT-PDFPEKILSA-N	405.369	5.232	10	10	HKCE	
Cc1ccccc1COc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1Cl	2297314569	MKKLAJKGUIKZOP-UHFFFAOYSA-N	409.898	5.004	10	10	HKCE	
COc1ccc(C2=CC(=Cc3c4ccccc4cc4ccccc34)C(=O)O2)cc1OC	2297550763	AVGGPOZIIHWXKV-UHFFFAOYSA-N	408.453	5.992	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1cccc(OC(F)(F)F)c1	2321734189	VGHCCYXYFBRLDQ-UHFFFAOYSA-N	417.380	5.269	10	10	HKCE	
Cc1cc(Br)c(F)c(NCc2ccc(C)c(Br)c2O)c1	2381126805	BQSPLSNILJMUIM-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCc1ccccc1NC(=S)N(Cc1ccc2c(c1)CCCN2CC)C1CCCC1	3056852	YGBRBZXORUEWLN-UHFFFAOYSA-N	421.654	6.163	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458043	IBUTXXYOYQUXFO-BRWNIOCJSA-N	423.600	7.450	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459410	IJVYSWQJMSYYMR-FHAGJXEFSA-N	420.553	5.490	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462818	CXXNCKQSCBNRKC-HWBMXIPRSA-N	424.610	5.667	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473277	QJOQQLQXAFOCTC-DRSNIGMVSA-N	414.889	5.490	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476436	WFHWCCPGJAAVQG-JXQFQVJHSA-N	414.461	5.706	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(F)c1	17090876	DRXYGDCRUXMQQK-XDHOZWIPSA-N	416.840	5.276	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	20756317	ZURNVRSBSSXNDE-TXTKFYIRSA-N	411.461	5.674	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226845263	CGEDYAKASCUVAJ-WIEQDCTASA-N	401.337	6.414	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCCCC1	226895094	SVSHSLAUPPJOCG-CLHVYKLBSA-N	424.544	5.998	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@H]21	250213654	NGKJMTLLGWFGTD-LSASZHKBSA-N	416.348	6.378	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1ccc(O)cc1O	312165560	QIASRDNBNADAML-SSDOTTSWSA-N	421.516	5.449	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C)cc1	526496870	PVZQDQVKITWDSF-HSZRJFAPSA-N	418.562	5.960	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(F)cc2F)cc1	1865673655	PQVPLCQVLTYBIT-LDADJPATSA-N	424.834	5.461	10	10	HKCE	
CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1	1874157951	WGNFYNNFJZXLKP-QGZVFWFLSA-N	420.509	5.310	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1	1915481939	YKERPVDDRXKOHP-INIZCTEOSA-N	405.380	5.161	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@H](O)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1977937368	YFEOKSNAHYOJDJ-QHCPKHFHSA-N	410.558	5.148	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2034781279	DKZGBFPQUWZVEH-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2cc(Br)c(Br)s2)cc1	2163143521	IGSJPTXVCSNQEU-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
C[C@H](N[C@H](C)c1ccccc1O)c1cc(Br)c(Br)s1	2266536088	WZTDLROUDQDNJK-BDAKNGLRSA-N	405.155	5.391	10	10	HKCE	
CSc1ncc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)s1	2284687628	HPYGPWCOPFSMIK-HNNXBMFYSA-N	411.637	5.057	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1	2297512919	SXOQUQXQPMBLJN-UHFFFAOYSA-N	411.596	5.005	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	2321646895	ZCTQZIZYZLFGQX-UHFFFAOYSA-N	404.900	5.216	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)cc1	2321720145	VRQVPGCBIIRZDF-UHFFFAOYSA-N	411.548	5.220	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321721306	GXQCNOVEMSBZSH-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2sccc2C)cc1	2332127672	WHTJTOMUTCWMNG-UHFFFAOYSA-N	406.482	5.034	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132597	QMSFALHFLOMGIB-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133234	PQNMCERACTZKPW-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140872	QYXVOZJVEQJJMF-UHFFFAOYSA-N	413.226	6.208	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13635911	BERUHYLDXGWTBR-XFAFFCHDSA-N	413.517	5.980	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	13643481	JLINHHBPCIZGGA-SQGPQFPESA-N	416.306	5.184	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457776	YSWIJGVSPKBBHQ-BKSPAHHJSA-N	422.594	5.223	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470473	GHIACCWAIFJZRK-DPZBCOQUSA-N	424.544	5.794	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	20683586	IBJMTWVXQIJPSC-IEGUWTFLSA-N	409.526	5.718	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700433	GLPWBXPUIHANJW-IECBHUPTSA-N	414.936	6.097	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1Oc1ccccc1	40645923	AJQADQORBIXVLW-CYYJNZCTSA-N	412.409	6.336	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226834059	KLPVJHCZDDVZTR-WIEQDCTASA-N	417.336	5.196	10	10	HKCE	
COc1ccc(OCCN=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	1860488915	QEIJMLPSUNEXAU-UHFFFAOYSA-N	407.314	5.591	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(Cl)c(Cl)c2)cc1	1865665017	XHYYZTYBVLATFT-SFQUDFHCSA-N	424.287	5.232	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](O)CC)c(Br)c1	1915399653	OLMKOPYAHMPDHC-XLIONFOSSA-N	419.407	5.287	10	10	HKCE	
C[C@@H](O)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl	1931961436	SWVLPAKDIOTXEP-HXUWFJFHSA-N	408.973	5.532	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(Br)c1	2231473030	ZZOLSIBKOWNREN-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	2297356895	KOIZLYHNXMLYON-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
CN(C)c1ccc(C=Cc2cc(C=Cc3ccc(N(C)C)cc3)c3ccccc3n2)cc1	2297476512	JYZURQWLRUTRQE-UHFFFAOYSA-N	419.572	6.708	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	2321744103	VQBCECDQXMGZCR-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
CCOc1ccc(NC(=O)N(Cc2ccc3c(c2)CCCN3CC)C2CCCC2)cc1	3057295	NPMSCYSGJUNOAU-UHFFFAOYSA-N	421.585	5.835	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1	13644951	JYKQUFQCEQAVGT-UMFSSWHCSA-N	415.581	5.451	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14456100	KUUYJENNJIXDGO-JLRUASKGSA-N	401.575	6.895	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14475718	RZTATADRIUJLOK-XLNZFTOWSA-N	400.434	5.919	10	10	HKCE	
COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OC	33410617	SKLVBNYSGCPGPY-QPEQYQDCSA-N	421.674	5.101	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C)cc2)C1=O	33810951	QJHLINOCXNEYHR-YCJXTATNSA-N	422.575	5.171	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)c(OCC)c1	35376949	HWSOIIXIFWIWKB-XDHOZWIPSA-N	413.564	5.507	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H](CNCc1cc(Cl)cc(Cl)c1O)c1ccccc1	379928834	AUCDRTFCOYINDR-KRWDZBQOSA-N	411.329	5.055	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526224556	PAOTXQOJOOULGP-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084433102	ZURLIUNPVGOQJT-YRCUWOAVSA-N	420.925	6.282	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656614	NYTDPSXIMMLFFQ-GZTJUZNOSA-N	403.707	5.689	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673811	YCZQYXSKJZZNIR-CJLVFECKSA-N	409.961	5.768	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679722	CMNLLNRRTSRUEM-GZTJUZNOSA-N	403.707	5.294	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Br)cc1	1865679767	FRDFOQROHZSVOF-XMHGGMMESA-N	405.295	5.799	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3cccc4c3OC(C)(C)C4)c2)c1	1872825097	WCNVQKGUCNEDAY-UHFFFAOYSA-N	416.521	5.297	10	10	HKCE	
COc1ccc(N2CCN(C(=O)c3cc4c(C)cccc4c4cc(C)ccc34)CC2)cc1	1891998135	BGIYIDFUMRGSSF-UHFFFAOYSA-N	424.544	5.581	10	10	HKCE	
CC(C)(C)c1nn(Cc2cc(Br)ccc2O)c(Cl)c1C(F)(F)F	2079714115	BDGFTVKAUGOPJW-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
CC[C@H](Nc1cccnc1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O	2109207529	LFDGELMYEOVLNX-AWEZNQCLSA-N	422.323	5.460	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2297448103	QJEJTAALRYJTGQ-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CC(NC1CCCCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2313683109	RWCCYVRNACGMAE-UHFFFAOYSA-N	416.550	5.244	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O	2321609749	BTCMLUMJJLOVTJ-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1	2321717996	FJARLLNXICYYCC-UHFFFAOYSA-N	411.548	5.177	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OCC	2332113849	QCVUIKBTYDYUQJ-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147536	JQVHMTODTZXIMO-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13636327	HSAMPRTZNOBWDC-FBLLAGFSSA-N	402.538	5.538	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468247	VQMXUZOMUIFABG-QYWGDWMGSA-N	414.299	5.210	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	20752300	GSYLJCFFZDPYMY-YPCDYVTLSA-N	410.517	5.608	10	10	HKCE	
O=C1/C(=C\C=C(/Br)c2ccccc2)SC(=S)N1c1ccc(F)cc1	33446624	XVMRWKRDMMYSOD-MBKDJOQRSA-N	420.328	5.510	10	10	HKCE	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1	35200061	NYRRPORIECKVAW-AQTBWJFISA-N	409.557	6.145	10	10	HKCE	
Fc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(Br)cc23)cc1	205952724	VZDOHULSIUTHPX-UHFFFAOYSA-N	401.666	6.687	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	1865664752	XMGSMSAEUOXCPQ-RVDMUPIBSA-N	421.697	5.828	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	1865665787	LRVZIWUXINNXNP-RGEXLXHISA-N	404.872	5.618	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670071	HAUUZFNMXWKCKU-LTGZKZEYSA-N	416.908	6.115	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(Br)c1	1915420499	INYUKSORSWYWPL-HZPDHXFCSA-N	415.400	6.298	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CN=[N+]=[N-]	1951351374	YLCBZNFAWAXSBV-UHFFFAOYSA-N	406.078	5.369	10	10	HKCE	
CC1(C)C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1OCc1ccccc1	2038728627	KICXSJVQDZZEAA-HKUYNNGSSA-N	424.766	5.282	10	10	HKCE	
Oc1cccc(F)c1CNc1ccc(Cl)c(I)c1Cl	2104479068	BEBVFYRKWZTCPP-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC[C@H](OCc3ccccc3)C2)cc1Br	2129810950	PHSIODBDRVRKCN-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
CCCN[C@@H](c1ccccc1O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1	2283651458	HETYPMSAKZNHBI-ZEQRLZLVSA-N	404.510	5.101	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	2297335381	BOOJSUDALYWVFT-UHFFFAOYSA-N	414.310	5.200	10	10	HKCE	
CCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S	2314647559	BZAAENUHMBMUDR-UHFFFAOYSA-N	411.596	5.145	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(Cl)c1	2332099389	PYNRFIGOPUKDTO-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c(O)c1	2332100060	HJWZKJLCZDGLMT-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332120875	QXOSCBRDWWOALB-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
Cc1cc(Br)cc(/N=N/c2ccc(Br)c(Cl)c2)c1O	6477333	WQQMRDPSJKKDPW-ISLYRVAYSA-N	404.489	6.294	10	10	HKCE	
O=C(O)CCCCCNC1=NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1	6890585	UTEVLRAVRFIHQY-QNGOZBTKSA-N	418.518	5.198	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O	14459993	DANDAOMCKVKZLX-ISJBWFOZSA-N	419.565	6.577	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546725	UPNJKNLWFMMHKR-ARGWCVDVSA-N	423.365	5.070	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccs1)N2)N1CCCCCC1	14548562	AGZGSYMPWZWAHM-SVMVAKDDSA-N	414.596	5.139	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1	14550042	FTUYWBVCPDSSIG-FXSPECFOSA-N	412.508	6.319	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	20706113	BFKIUSOJABUHBV-HTZUNMPGSA-N	411.889	5.213	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712511	HLWSMSMWBABADP-SXGZJXTBSA-N	401.337	5.960	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccc(C)cc3)C2=O)cc1	33625137	TZJWOWNGZNAGDG-ZHZULCJRSA-N	411.596	5.112	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)c1	83308397	LRJYKGLBTZQWMJ-BUVRLJJBSA-N	420.468	6.117	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Br)cc1Br)CC(C)(C)C[C@@H]2O	110036328	PUGAHPPAFMHKBM-INIZCTEOSA-N	413.153	5.317	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(Nc2nc3ccccc3s2)C1=O	210511216	VSLIUCVRDUAFAI-RTNVFWHRSA-N	409.561	5.471	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226682286	OJRUYBBPTKVAIB-QSEAXJEQSA-N	414.593	6.310	10	10	HKCE	
CC[C@H](Nc1ccc(Br)nc1C)c1cc(Br)ccc1O	234038363	IUDGWPSFPYXZNZ-LBPRGKRZSA-N	400.114	5.184	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(C)c2)o1	1084303892	RJVOPMKAFWSFEX-CPNJWEJPSA-N	421.294	5.824	10	10	HKCE	
Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)o2)cc1	1087985723	ODJBITYJNFGBBT-CYYJNZCTSA-N	411.465	6.032	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917397	OZMOAJCRIGPAOH-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1cccc2ccccc12	1860086257	UBAWIZHUYBQAFB-GZTJUZNOSA-N	416.354	6.552	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccc(Br)c1	1865656965	YPRFICNJQAGVCD-SFQUDFHCSA-N	401.279	5.170	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865664187	DZSRXCKIRAPOBC-PDGQHHTCSA-N	400.787	5.842	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)c1	1865678288	CXYXMNJHDHDKGZ-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865679128	WQGYVJBHUYFUCC-LDADJPATSA-N	406.835	5.941	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Br	2095879970	UIZJRJGDEGTYII-NRFANRHFSA-N	417.391	5.133	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1Br	2231455535	YKPSHDLIFSUUPA-MSOLQXFVSA-N	419.407	5.115	10	10	HKCE	
N=C1C(=Cc2c[nH]c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12	2297470596	RTTPILCNHQSEPO-UHFFFAOYSA-N	405.527	5.148	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	2332104153	NOOOJBSCMOXMAP-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118555	YMORMPAHBGPBFI-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1	2332134321	KPHIUATZXIEYTC-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134458	ZUYISAMHWPNFDZ-UHFFFAOYSA-N	424.671	5.357	10	10	HKCE	
Fc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14549908	SYYSEHFWCVOANU-FBLLAGFSSA-N	401.481	6.110	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCOc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	20720526	RAXXQKDXRIEOBU-ZKOMGTKCSA-N	422.528	6.452	10	10	HKCE	
COc1ccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621700	RLQPBMOUDZDUFR-QFIPXVFZSA-N	404.897	6.112	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226905710	JQGGZAGPDYUVIM-GKAFBRTNSA-N	404.513	6.778	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	251378262	SIWTVQCLZFTVHX-VJESKBHDSA-N	414.343	6.159	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526304751	UJDTUCZTTKUQIH-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
Cc1cc(Br)c(F)cc1NCc1cc(Br)cc(F)c1O	715744486	HSJNJGOTMIVWSD-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
O=C1/C(=C/C=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1	1084423761	HFKGZBKHFPLQCU-QQDISNATSA-N	402.884	5.210	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(C)c(C)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917148	LLXXFITUTFVGIT-SFHVURJKSA-N	411.501	5.524	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O	1860086417	GGOHDTTUGDJNSF-CXUHLZMHSA-N	405.928	5.159	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2ccccn2)cc1	1865673156	UPECPMVEUCDZDN-LDADJPATSA-N	424.287	5.232	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cccc(Br)c2O)c1	1925139469	MZRBKORNJZWSCF-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)c(OCC)c1	2293783529	HWSOIIXIFWIWKB-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
COCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	2297349860	YOPDLRSJNGGLKF-UHFFFAOYSA-N	414.335	5.101	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)c1	2332099863	LKUIOAAYMRLMKP-UHFFFAOYSA-N	414.471	5.945	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C	2332113675	WHWVDIPDSXEHIU-UHFFFAOYSA-N	411.288	5.961	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1O	2332125513	KULZTSSBGJXKQQ-UHFFFAOYSA-N	405.679	5.004	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccccn2)cc1	2332128727	XAROFMMZCINRKG-UHFFFAOYSA-N	405.457	5.078	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	2332147683	RCFZGIDHHHAQKX-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458119	OJRUYBBPTKVAIB-VMODYCNZSA-N	414.593	6.310	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14476052	QQGNENLESUQDIZ-UMEGOILYSA-N	414.461	5.706	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14478822	NROZZHJTSDCNTP-SGIRGMQISA-N	400.566	6.226	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546826	ROLAFEXMLUVDFO-VWVPQACVSA-N	415.364	6.348	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549357	CYROTHFZIWPZTI-IALVYGIMSA-N	405.541	7.607	10	10	HKCE	
COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1	33591112	IVNQBDUJXNLIHN-JYRVWZFOSA-N	401.510	5.194	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362914	UELUDUHRLBGDFP-UPVQGACJSA-N	422.912	5.285	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(SC)cc1)N2	226804400	RSEHIEAPLTZLEC-TZBSWOFLSA-N	420.622	6.497	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(C)CCOCc2ccccc2)c(Br)c1	384006245	IPSDKTBFHYQCJT-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
COc1ccc(O)c([C@H](C)NCCCN(Cc2ccccc2)Cc2ccccc2)c1	390579908	IAHCOORXTSHFON-NRFANRHFSA-N	404.554	5.144	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526150546	SYTWYXLTNCYKLX-JOCHJYFZSA-N	422.525	5.791	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2c2ccc(Br)cc2)cc1	1083963596	ZPMLBCADUQBFKS-UYRXBGFRSA-N	407.267	5.185	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	1084538175	JXUQVOIQSJWLPU-XSFVSMFZSA-N	413.564	5.452	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)c2c1	1860086332	ZEPQGBYIQDXYSH-SRZZPIQSSA-N	416.527	5.736	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(F)cc1F	1865673771	WFEUCPISIACHOZ-OQLLNIDSSA-N	409.263	5.854	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1cccc2ccccc12	1865676648	ITCOSIAPQWUURE-QJOMJCCJSA-N	419.440	5.583	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccccc1C	1865677125	XBOHWYRJEXYDQH-LPYMAVHISA-N	406.526	5.230	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2N)sc(C)c1-c1ccc(C)c(C)c1	1866122666	XFECINLJBPCKNF-UHFFFAOYSA-N	408.523	5.270	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	1946785831	SBYHBCFYJQFZMQ-ZDUSSCGKSA-N	401.270	5.298	10	10	HKCE	
CC[C@H](N[C@H](C)c1cscc1Br)c1cc(Br)ccc1O	2186652224	NUXQJULGBBQIIJ-OTYXRUKQSA-N	419.182	5.781	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1F	2332104920	FUMFYUXMKSEYRT-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)s1	14456631	IGBPPNUNCNMZCU-DRMXPCRNSA-N	406.595	6.288	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476587	KZLTYUJLQWPSEB-CUVVAGTFSA-N	401.937	7.054	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479631	BXOAHSOVSPWXLQ-YWYGCRHHSA-N	406.526	5.059	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764329	UKABBQGHTWZMPB-XUZZJYLKSA-N	424.903	5.806	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226698927	UXAFGEAVAHKUNZ-WHSLLNHNSA-N	412.873	5.642	10	10	HKCE	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	226795868	CRTFPBNLIYZITM-WOIMOHSLSA-N	408.545	7.040	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCC)N2	226859908	DDELLFOZPLLDHA-SWYRRKHMSA-N	418.581	6.174	10	10	HKCE	
Nc1ccc(NC(=O)Nc2c(Br)cc(Cl)cc2Br)cc1	312165377	BRJJLNOVGSTFIT-UHFFFAOYSA-N	419.504	5.091	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526246909	RGSWFZNGOGKUOY-XMMPIXPASA-N	416.496	5.566	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O	1084288724	MSOVESRAFXSSLC-VIZOYTHASA-N	412.319	5.113	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	1858588462	HAZDWCIZBXFCLR-CMXQDHFUSA-N	417.596	5.120	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858589135	OIDYVZPFWYNETI-UJFYRASASA-N	422.344	5.551	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860075021	DYYCIEFQPAXGMP-OVCLIPMQSA-N	424.772	5.817	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)ccc1[N+](=O)[O-]	1860087789	UHOJOUSUBVHEBU-OQLLNIDSSA-N	424.425	5.328	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865656797	SBUHFTUCNRVUTL-ATVHPVEESA-N	400.787	5.842	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664807	LWGOSJAXBDDWOP-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2C(F)(F)F)cc1OCC	1865666380	IJVLTMNGMOOCPS-SSZFMOIBSA-N	412.452	5.208	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)c2C)sc(C)c1-c1ccc(C)cc1	1866124296	QTJHNRDZDLIJHE-UHFFFAOYSA-N	413.926	6.033	10	10	HKCE	
C[C@H](NC(=O)CCCC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)C1CCCCC1	1866250446	JMTDRJWJLAWWSV-IBGZPJMESA-N	421.585	5.053	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)N=C2c2ccccc2)cc1	2040464294	ISBMDZHMLVBMSG-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2cc(Br)c(Br)s2)cc1	2163143520	IGSJPTXVCSNQEU-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
CCC(CC)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1	2296400328	SCVIWQUASSJENJ-UHFFFAOYSA-N	419.554	5.150	10	10	HKCE	
O=C1C(=Cc2ccsc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2321609752	FQZZBNDGSGSIKO-UHFFFAOYSA-N	405.875	5.826	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1c1cccc(F)c1	2321614900	DBSZBGQGIVTFGT-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639413	RPJCXAQVLGWRIQ-HMFYCAOWSA-N	411.343	6.014	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13644619	WYVIADBTFOYGGG-OARDWFSCSA-N	410.561	6.201	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2sccc2C)[C@H]2CC=C[C@H]32)cc1C	14455998	BORYFLQPYDCABQ-NHCICSSKSA-N	414.574	6.752	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@@H]21	14466889	UOAQWTLVTIIODB-XMZIXOGTSA-N	401.120	6.832	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	14475567	FYALJYIWVLQWDW-PNIUZAESSA-N	422.572	6.683	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	14477850	JDRCHNJBWHHIKB-DRSNIGMVSA-N	413.348	6.056	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@@H]32)c1	14553696	JCOQWWCACTYOLS-FXSPECFOSA-N	410.517	6.082	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20700505	RIIZAYKZASOHEE-PNCHPQGNSA-N	406.957	6.183	10	10	HKCE	
CCCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	33827246	ZMXNLVGRNPHSBL-DTQAZKPQSA-N	411.976	5.055	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1	83333215	LSLLEGPWYVWHIX-QNGOZBTKSA-N	416.550	5.462	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226716526	FFIGILPOGBWXLG-UMFSSWHCSA-N	414.593	6.653	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226850357	RAALRZNKXGBNIZ-XFQAVAEZSA-N	411.889	5.215	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226878070	HZNVBPNZSZPYHK-KHCICDEESA-N	406.526	5.012	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc(Cl)ccc2O)cc1	1865666692	SIMFNGNHWMPOMA-KGENOOAVSA-N	418.880	5.197	10	10	HKCE	
C[C@@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	1868176366	RITRJUCAGXLYCH-AWEZNQCLSA-N	403.865	5.248	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1	2294259279	ZXXZCPJWWOOIKJ-UHFFFAOYSA-N	402.837	5.720	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2297296619	OUUCRFRURKWRGV-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
COc1ccc(OC)c(C2=CC(=Cc3c4ccccc4cc4ccccc34)C(=O)O2)c1	2297550854	KOUFYWOQSIEVHH-UHFFFAOYSA-N	408.453	5.992	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1	2313510568	RTCVWIQXKUOMGT-UHFFFAOYSA-N	423.808	5.498	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)cc1OCC	2321733873	ROYKYVOGESFRAF-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1	6033174	YANSOAKHRDKTLI-BKUYFWCQSA-N	400.434	5.068	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460320	QEWRVFWFWQGRLE-IPJJNNNSSA-N	416.974	5.197	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14465251	MYEXDFUMCNPYMS-IMSXRSKXSA-N	420.984	6.571	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465560	GULDTMJECVYPMS-XXULJNORSA-N	416.974	5.243	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475526	ABNFYAWBNYOQCM-RLSLOFABSA-N	416.952	7.058	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548196	PBHZTCFXLNLYRS-YZIHRLCOSA-N	401.506	5.787	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14552284	IVOVWCHWOYEMSQ-HWBMXIPRSA-N	418.606	6.251	10	10	HKCE	
Cc1cc2nc(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)sc2cc1C	15221460	OFSVKJADLLVHEZ-QNGOZBTKSA-N	409.514	5.748	10	10	HKCE	
CC[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O	20505113	NEZWIQOVEGHNPL-CYBMUJFWSA-N	409.538	6.678	10	10	HKCE	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	22146090	FKOOCCZQGUDXHM-BFQNTYOBSA-N	421.678	5.543	10	10	HKCE	
CCCN1C(=O)/C(=C/C=C2/Sc3c(ccc4ccccc34)N2CC)SC1=S	33926883	JTFHAWPSZIGVMA-MJZABRMRSA-N	412.605	5.767	10	10	HKCE	
Cc1ccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621430	LYPBNPLFXCKZPQ-OAQYLSRUSA-N	405.479	5.728	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	96577893	PYCVVQVGLUXXNW-RCCKNPSSSA-N	419.527	5.893	10	10	HKCE	
Cc1cc2c(n1-c1cc(Br)ccc1Br)CC(C)(C)C[C@@H]2N	110040218	RIUHKKXPWJKNQG-AWEZNQCLSA-N	412.169	5.283	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2)c1ccccc1	226661638	FJORPRRPSYHSKI-OTPAQWSUSA-N	414.574	6.550	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226681256	OWKMCOWIFZTAGU-ALTZYDRJSA-N	423.600	7.648	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673606	NUJJBRJRACJOLM-SFQUDFHCSA-N	417.278	5.183	10	10	HKCE	
CC(C)(C)OC(=O)NCCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	1925124415	IXXDRHYASJSQJA-UHFFFAOYSA-N	411.329	5.378	10	10	HKCE	
CCNCc1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1946828451	YWACFZFEXBZECP-UHFFFAOYSA-N	423.551	5.213	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079998873	DNBLAPSUVMXMLS-LJQANCHMSA-N	402.922	5.303	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2231464782	FDCAXMHAPYETKX-GOSISDBHSA-N	417.435	6.390	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2297350976	MSRSVTABVZPCBW-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C)o1	2313549125	NTGIUJNEYGSKMC-UHFFFAOYSA-N	421.294	5.824	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	2318756449	LYDAXQZUHYAAEH-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332122308	PGLXTJXYHHJWPM-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461140	IFLKRTXWBGMSOM-WHSLLNHNSA-N	400.316	5.768	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476838	DKTGIJMHVVBURH-UMTXDNHDSA-N	424.544	5.794	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@H]2C=CC[C@@H]21	14544492	OLLQDUWOZQUONA-BERHBOFZSA-N	424.544	5.911	10	10	HKCE	
Fc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14549906	SYYSEHFWCVOANU-HWBMXIPRSA-N	401.481	6.110	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2)c1ccccc1	14550638	XSDKGJMCKGYONJ-DPZBCOQUSA-N	424.544	6.188	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750392	ZGZJVHJPEBHQBX-YHQOMNDMSA-N	417.336	5.196	10	10	HKCE	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2C)c1C	96499250	OUOVPUAGADKNTB-HMAPJEAMSA-N	418.587	6.117	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)cc1)N2	226785006	IKRDYYSCGBNWBP-OTNCWRBYSA-N	404.554	5.784	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	249851327	XZWGDOWADXNFHI-UMFSSWHCSA-N	406.570	5.775	10	10	HKCE	
COc1c(Br)cc(Cl)cc1NCc1c(O)cccc1Br	706868976	XWAGSXQFCSUUPO-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
COc1ccc(N(Cc2nc(O)c3c(-c4ccco4)csc3n2)C(C)C)cc1F	728927763	GJZOEYOAYSPYAG-UHFFFAOYSA-N	413.474	5.220	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@@H]1/N=N/c1cccc2c1OC(C)(C)C2	1616045710	GKLKSWASDFRXFG-GSWFEHRJSA-N	417.296	5.582	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1Cl	1891362353	GJNOYWGJWXJWSI-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915451136	QLYYJFAFYBGAAA-QAPCUYQASA-N	404.348	5.077	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2034749507	VMHFRYTXLWWLIE-HNNXBMFYSA-N	411.334	5.781	10	10	HKCE	
O=[N+]([O-])c1cc(C=Cc2nc3c(ccc4ccccc43)s2)ccc1N1CCCCC1	2055816064	ODDHYHHTVCVLCO-UHFFFAOYSA-N	415.518	6.518	10	10	HKCE	
COc1cccc(O)c1[C@H](C)n1nc(C2CCCCC2)cc1C(=O)OC(C)(C)C	2069900758	CUYJJHYONRRCAV-HNNXBMFYSA-N	400.519	5.210	10	10	HKCE	
CSc1ccc(C=C2SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1	2313513780	HAEYVYNVHGCTKH-UHFFFAOYSA-N	424.469	5.533	10	10	HKCE	
O=C1C(=Cc2ccc(Br)s2)SC(=S)N1c1ccccc1Cl	2313610552	ZFMOTKCOSUQABT-UHFFFAOYSA-N	416.774	5.570	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@@H]4CCCC[C@@H]4C)C3=O)n12	2323790868	QLRQWGXMGWJMIM-GXSJLCMTSA-N	412.005	5.138	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14456097	KUUYJENNJIXDGO-LFAGZIFBSA-N	401.575	6.895	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464460	SBEKMBZEFMXAST-XTJBDQBJSA-N	412.533	5.433	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	20682766	OAICMBVHVXZLMP-JZKQVHKSSA-N	406.309	5.846	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20692544	LJSKUVQRTMEAHQ-JQYIIUTOSA-N	408.545	6.488	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	33759848	QRBKPGMONBGFLJ-GPXJOPDISA-N	412.518	5.414	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1O	36347503	FOFUDJHOZXCVHY-OAQYLSRUSA-N	417.336	5.504	10	10	HKCE	
CCn1c(=O)c2c(-c3cccnc3)c(Nc3ccc(C)cc3C)oc2c2ccccc21	39921067	JBWGFKHCJRLUFN-UHFFFAOYSA-N	409.489	6.190	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53363870	FHYDLGVQWMMFAM-OFNKIYASSA-N	410.876	5.416	10	10	HKCE	
CC(C)(C)c1ccc(-c2nnc3n2N[C@@H](c2c(O)ccc4ccccc24)S3)cc1	59168433	MWPSBGPJLVQLOD-OAQYLSRUSA-N	402.523	5.449	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)ccc1Br	1860087201	HHFXJUKREYLJFI-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1	1873424748	VCJAQLDMJCIMSJ-UHFFFAOYSA-N	413.521	5.003	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1c(O)cccc1Br	2069951203	BUYPQRDDGQSYOY-UHFFFAOYSA-N	421.335	5.012	10	10	HKCE	
Cc1c(NCc2c(O)cccc2Br)ccc(Br)c1Cl	2138173425	JSZOHFVFAVAEAP-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296712200	JNBPRNTYKIJSAO-INIZCTEOSA-N	419.575	5.539	10	10	HKCE	
COc1ccc2ccc(OC)c(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)c2c1	2297308118	GYHVBIMSUBGHQY-UHFFFAOYSA-N	423.465	5.233	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=S	2321635306	MAVVNTCPMQSOFZ-UHFFFAOYSA-N	412.580	5.337	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(C(C)(C)C)cc2)C1=O	2321647833	HYORYGMAQSKEQA-UHFFFAOYSA-N	407.564	5.346	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc(C)c1-c1ccc(F)cc1	2326823099	CFDPDVRELNBWSS-UHFFFAOYSA-N	409.482	5.691	10	10	HKCE	
CC(C)(C)c1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	2330201605	SINBQDSVNWCQLF-UHFFFAOYSA-N	412.581	6.390	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F	2332133134	HGDIGGHEEVTTEP-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
CC1CCN(c2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1	6738005	NTMLPCQCBIHNLV-UHFFFAOYSA-N	415.537	5.512	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458074	BDSRJJNHYHJJPJ-QEMZJVQQSA-N	415.621	7.788	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@@H]21	14460958	GMUROBKPDRNKES-DINDLPBHSA-N	411.126	6.288	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14466569	VYFHAJIFQGROAA-LZCXECNNSA-N	407.985	7.516	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478763	PZNXHXGZKLDVCA-ZEVJAHDQSA-N	408.545	5.794	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546179	JUGXVSPUJCHINS-LZCXECNNSA-N	424.544	5.794	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549079	PFIDHRBIAABDOG-ITLAICGJSA-N	418.540	6.802	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@H]21	14552512	AFSQMMCODOFPCS-LZCXECNNSA-N	410.517	6.082	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	19890075	LTTOSZJGXVJENP-VPZZIHKRSA-N	406.309	5.846	10	10	HKCE	
COc1cc(/C=C2/SC(N3CCCCCC3)=NC2=O)ccc1OCc1ccccc1	96480323	OQILVLJEUFVCIQ-CJLVFECKSA-N	422.550	5.121	10	10	HKCE	
Cc1cccc(COc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)c1	103719285	HQEAYAMRTMFDRK-ONVPTEKUSA-N	409.898	5.004	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	250542939	YWHHCIAGUJEUCH-BNIKKZEQSA-N	411.549	6.011	10	10	HKCE	
O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)c1cc(Cl)ccc1Cl	254753348	ZBHZNRJEHKOTCV-UHFFFAOYSA-N	406.294	6.210	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1	526322837	KAONBVFPZSRTMW-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668940	XWHFGFAHTKMJNI-ZVHZXABRSA-N	416.908	6.034	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	1865674648	PSRUDEBTIQQYKZ-HAVVHWLPSA-N	419.484	5.620	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676607	GKVJEBHQPIPLQB-WOJGMQOQSA-N	411.889	5.447	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865677126	XEMCDFCKBITMTL-JVWAILMASA-N	424.544	5.993	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2034829178	XRNOOGSPYFJSNL-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(C=O)c2Br)cc1C	2079971556	INGOZXGSNANUSD-LJQANCHMSA-N	405.336	5.293	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231464826	FUNOTGGIPFIVLN-KRWDZBQOSA-N	413.403	5.896	10	10	HKCE	
Cc1[nH]c2ccccc2c1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	2294623657	OMZZPVHCKWFBFF-UHFFFAOYSA-N	402.903	5.675	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296712201	JNBPRNTYKIJSAO-MRXNPFEDSA-N	419.575	5.539	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(Cl)cc1	2297336951	BCDPERDUAALSBI-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H](C)C(=O)Nc2cccc(C)c2)C1=O	2314836423	FENWACQMNARCSF-KRWDZBQOSA-N	422.575	5.170	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1	2321680694	IETMSGADKRFJMQ-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332104292	SGUHYULWRFTINC-UHFFFAOYSA-N	409.316	6.733	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OCC	2332106810	JATAIDSSCHQAAK-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	2332116669	NQEADXRZWWONGL-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
Cc1ccc(CNc2sc(Br)c(C)c2C)c(O)c1Br	2352640918	OBQLUUDZTVRCNO-UHFFFAOYSA-N	405.155	5.516	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456240	UNAMWONNGGPHSI-SXWKCWPCSA-N	400.547	6.160	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	14462935	PCWHGFLIHQIKLL-YZUZCNPQSA-N	410.583	5.323	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1	14463033	MNRKWRVOAFZVJO-FUCAVZNHSA-N	416.565	5.545	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14544802	GMSKQEITZNDWNU-TXBYWVTISA-N	421.566	5.071	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547035	APMHICKUVCUITI-CKNGIIGNSA-N	415.364	6.805	10	10	HKCE	
CCN1/C(=C2\SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccc(Cl)cc21	15945043	VPKSUGATCKILJK-BMRADRMJSA-N	422.959	5.645	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(NC(C)=O)cc4[C@@H]4C=CC[C@H]43)ccc21	20684041	DJUOXAYKSIWRDK-SAFLGMMZSA-N	421.544	6.599	10	10	HKCE	
O=C(/C=C\c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O	33663881	MAVAPSCAANIDKJ-KBIMCKIRSA-N	402.881	5.437	10	10	HKCE	
CCc1ccc([C@@](Br)(c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1	105630065	PTKGFQLNCVQNLA-DEOSSOPVSA-N	419.318	5.583	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226850166	FCLGRLIBQFVQFB-IECBHUPTSA-N	422.355	7.399	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526248526	RNTABLJKIHMMDK-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)cc1	526361805	LCWAJXUHUJJPNF-RUZDIDTESA-N	423.468	5.617	10	10	HKCE	
CC(C)N(C(=O)CCC1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889228	XPPNHIVIYAFVQQ-UHFFFAOYSA-N	403.522	5.564	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	1860075497	YWOKNQWMFGYWGM-FRKPEAEDSA-N	410.347	5.798	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c1	1860086670	ZQLMDWPOADDWBM-LICLKQGHSA-N	405.928	5.153	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Cl)cc1Cl	1891384834	FEJSUWHHKPRRGR-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	2040744330	LHCBKQMJZZLCBQ-UHFFFAOYSA-N	409.795	5.051	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2cccc3ccccc23)C1=O	2321698352	OSIGXLKPRWLPFM-UHFFFAOYSA-N	401.516	5.202	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CCC)cc1OCC	2332114015	JEZAXRDMHIHIHM-UHFFFAOYSA-N	420.553	6.241	10	10	HKCE	
CCCN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccccc3C)cc2)C1=O	2332133447	OWXLQWMJIYRBTQ-UHFFFAOYSA-N	410.517	5.614	10	10	HKCE	
CCN1/C(=C\C(C)=C\c2sc3ccc(OC)cc3[n+]2CC)Sc2ccccc21	1994329	FMPHRXIBXAANEJ-UHFFFAOYSA-N	409.600	6.094	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C\C2=Cc3cccc(OC)c3OC2)SC1=S	8472924	XZLBMJZCCPVABV-IYSPOMMRSA-N	417.596	5.432	10	10	HKCE	
COc1cccc(-c2ccc(O)c(CNCCC(c3ccccc3)c3ccccc3)c2)n1	12152988	DYQLCLQSGXTQED-UHFFFAOYSA-N	424.544	5.775	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461115	FXYJSHWHXFSUGX-CKJXQJPGSA-N	400.316	5.770	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467632	ZGZPEUFMBNEJBK-CKJXQJPGSA-N	404.337	6.704	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470047	HEFNWMJAQKCSEZ-ZEVJAHDQSA-N	424.544	5.842	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549497	JIAFZMKDIOGCBV-UAABGXCFSA-N	418.540	7.168	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550354	KVFLPZJBNIIORJ-PVLDIMPDSA-N	424.544	6.013	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CCCCC2	20532499	CLLMOBSSGIBBFJ-UHFFFAOYSA-N	406.957	5.681	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691431	OQNWPNPHUZADPE-ZQIDGUAPSA-N	422.572	6.368	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCOc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	20720522	RAXXQKDXRIEOBU-ZCUZBQTDSA-N	422.528	6.452	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@@H]2CC=C[C@@H]32)cc1C	20752929	KSQULPQNYAEGRT-NRYAXDJKSA-N	400.547	6.444	10	10	HKCE	
CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl	33319993	OVWYABRNGLXOEU-QPEQYQDCSA-N	423.227	5.038	10	10	HKCE	
Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)o1	58962467	REFDYMVJLKFPBF-BOPFTXTBSA-N	413.260	5.023	10	10	HKCE	
CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(Cl)cc1	59462626	JQKGGTQBBDOBKQ-DEOSSOPVSA-N	418.928	5.334	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2)c1ccccc1	226660004	IGHAIAVPNKJPDE-FKCDAAJZSA-N	408.545	6.488	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	226844517	FYALJYIWVLQWDW-CERRFVOPSA-N	422.572	6.683	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccccc1OCc1ccccc1	715790670	BYPSEXLLECWVIG-UHFFFAOYSA-N	402.263	5.485	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1cccc(Br)c1	1860074737	IIFOHWOQKHIBBT-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1Br	1915411157	YSZYBIQOWDHGAL-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1(C)CC1	2079694596	AOXQHWHAJAGSKH-UHFFFAOYSA-N	403.242	5.032	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1ccc([C@@H](C)N)cc1Br	2186588574	ACJCREKDOBTZHP-ZJUUUORDSA-N	418.198	5.490	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2cccc(F)c2)sc(C)c1-c1ccccc1	2318413352	KEXXCUGPCKGTHX-UHFFFAOYSA-N	409.482	5.691	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	2321656282	VMCSTSXOIOUTTR-UHFFFAOYSA-N	419.527	5.893	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc(Cl)cc2)C1=O	2321721636	YKLZZKCAFPRVRS-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
CCCCCCOc1ccc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	2330221711	UJAXSJLFGIKWAU-UHFFFAOYSA-N	424.545	5.191	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccccc2C)cc1	2332148802	IVNJKUNRBKYGIJ-UHFFFAOYSA-N	410.517	5.451	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)cc1	14461855	DUAIVRFBPJMXFV-IMSXRSKXSA-N	417.597	5.888	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686621	OSTMZAHEKDUSMO-LGVFNWMJSA-N	401.554	5.205	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1O	20694538	DANDAOMCKVKZLX-IPVFLDMMSA-N	419.565	6.577	10	10	HKCE	
Oc1ccc(Cl)cc1CN1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1	37522272	ITDGEYXIJAACIY-NRFANRHFSA-N	420.862	5.861	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3ccccc3O)C2)cc1	53363080	QOASSDIYKPBDQY-UKILVPOCSA-N	402.494	5.022	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc(F)cc1	97411139	XLPGKECILQSILO-ODLFYWEKSA-N	413.470	5.626	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@@H]21	226730675	WTDKQOWJOZIHJY-CRJVXGLXSA-N	417.597	5.888	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226887590	NVVPVGPMALLZSC-YPCDYVTLSA-N	412.533	5.815	10	10	HKCE	
Nc1ccc(S[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1	254507219	GAFJJSYOYXYHJG-FQEVSTJZSA-N	402.479	5.108	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)ccc1F	1860086642	XWMMXLWFECVFCT-KGENOOAVSA-N	420.534	6.284	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1	1865669310	HXKVTNZKWQLINC-GHRIWEEISA-N	400.881	5.460	10	10	HKCE	
CN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	1865669381	KWRFQSVRNQDLDZ-JCMHNJIXSA-N	402.881	5.179	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1ccccc1Cl	1865672743	JPTTWMZGVCFIFQ-DHDCSXOGSA-N	403.791	5.165	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1	1865674723	UUGYWCUBKLXARP-PTGBLXJZSA-N	412.489	5.319	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1c1ccccc1	1865676193	WJUVZYXMQJCBOQ-SILNSSARSA-N	416.908	5.962	10	10	HKCE	
COc1ccc(OCC(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c(C(C)(C)C)c1	1865925147	VFKVDFSJMIOJDO-UHFFFAOYSA-N	418.537	5.183	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	1866162405	CKJXHZIMCSAWNZ-MRXNPFEDSA-N	422.550	5.654	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(-n2ccc3ccccc32)c1	1891865252	HFXCBFZBBRJSMB-LVXARBLLSA-N	421.544	5.549	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	2231479291	ZEFWHSSYXMAPKW-ROUUACIJSA-N	415.419	6.142	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1C	2321591183	CRSRGXJAXFNAGN-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1OC	2323749706	AFNZCOCVVXXHNB-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C)cc1OC	2332125497	JLJKCQNOQRLMAJ-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Br)ccc1O	2332125637	YBQGVQCNWJFKSU-UHFFFAOYSA-N	421.294	5.504	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(Cl)cc2Br)c(O)c1Br	2381140235	HVXQJWXHSZKSTJ-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472298	KKVXUGIWGJMHFH-QYWGDWMGSA-N	411.889	5.813	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCC)cc1)N2	14543748	ZDRKFRPHARMXJA-ZEVJAHDQSA-N	418.581	6.174	10	10	HKCE	
COc1ccc(-c2ccc(CCC(=O)N3CC=CC3)n2-c2ccc(SC)cc2)cc1	34915624	OIBKPQHZMCGSPP-UHFFFAOYSA-N	418.562	5.206	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226690105	IQIPZKLNRWZTDU-FKCDAAJZSA-N	424.544	5.842	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@@H]2C=CC[C@@H]21	226887349	OLLQDUWOZQUONA-UMTXDNHDSA-N	424.544	5.911	10	10	HKCE	
CC(C)c1ccc(N2CC[C@@H]3CCCCN3[C@H]2c2cc(Cl)cc(Cl)c2O)cc1	253607327	MNROYYGFKZTBDO-FDDCHVKYSA-N	419.396	6.586	10	10	HKCE	
CN(Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1)C(=O)OC(C)(C)C	312205712	BSOKHZWCWPXQJA-UHFFFAOYSA-N	411.329	5.678	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)c1	526225494	NRLAITHQSJXIQG-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1N=Nc1cccc(Cl)c1C	575733365	CJZPYKCEMJHTSV-IBGZPJMESA-N	423.929	5.955	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)cc1	1858586767	STQMXPZROBCMIE-CAPFRKAQSA-N	402.629	5.847	10	10	HKCE	
Cc1csc(-c2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)n1	1859707183	JWEJQVACABHVSF-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	1860074726	HHRSCOMYWZVLIS-MHWRWJLKSA-N	404.354	5.417	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	1860085286	BBIQWDVGVBZRDA-LTGZKZEYSA-N	408.592	5.645	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1Cl	1860086420	GLWYSBYQLXESBQ-VCHYOVAHSA-N	403.956	5.841	10	10	HKCE	
Cc1cc(CNC2CC2)ccc1N(CCN(C)Cc1ccccc1)Cc1ccccc1	1946827839	UNUNIIHFZVEDBS-UHFFFAOYSA-N	413.609	5.386	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C(=O)O)c2Br)C2(C)CC2)cc1C	2079953118	SCKDSFBNXPNYNY-QGZVFWFLSA-N	421.335	5.179	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2sccc2Br)c(Br)c1	2156988115	BQDQACQKADQYKC-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1	2332139566	UUPJDIKADARPLH-UHFFFAOYSA-N	416.908	5.746	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465200	RLEPVHWGFAXGLL-ZVVDCOBXSA-N	408.929	5.075	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476658	NCSSTFURASOIHI-AWVRMFGXSA-N	411.545	6.879	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl	14477147	RLWOLQQOEWQZQB-HHJKRLRDSA-N	422.355	7.399	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c1ccc1c(N3CCCCC3)cc(-c3ccccc3)nc21	20530306	AGLKDJRSKOWFNV-UHFFFAOYSA-N	418.496	5.668	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(C)cc2)[C@H]2CC=C[C@@H]32)cc1	20692267	DCPYHEVVLKASTG-MVERNJQCSA-N	424.544	6.473	10	10	HKCE	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]12C	254487520	BYSWDNBNMZHMHK-KCXURJSYSA-N	400.647	6.856	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(Cc4ccc(F)cc4)n3)cc2)cc1	1857850227	BDKCYXYBTZSMEJ-UHFFFAOYSA-N	420.578	6.556	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1cccnc1	1858588973	KEUIEXFALYXTNN-FYJGNVAPSA-N	418.543	5.062	10	10	HKCE	
CCCOc1cccc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)c1	1859437968	RZGDBGRGTIRCHP-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1	1860084844	QQFQRIYJQRXVAN-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1c1cccc2ccccc12	1865664864	OHPPFQOUYUNKFI-XLNRJJMWSA-N	408.888	6.328	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cn(C)c2ccccc12	1865670720	NWZBSZQWOAMFIL-SFQUDFHCSA-N	409.892	5.553	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)cc1OC	1865671085	JLJKCQNOQRLMAJ-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675302	ZZLWOZBMCXKBLF-PTGBLXJZSA-N	410.521	5.304	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678471	NNIDOJBPOSBPAO-HMMYKYKNSA-N	402.881	5.492	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc(C)c1-c1ccc(Cl)cc1	1865864024	MKPLTBFNVUTNER-UHFFFAOYSA-N	415.898	5.512	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c2cc(Cl)ccc2n1	1866270822	JXXSFFXHYVIHJH-UHFFFAOYSA-N	403.869	5.823	10	10	HKCE	
CC(C)(C)c1ccc(C2=CC(=Cc3ccc(I)o3)C(=O)O2)cc1	2313510388	BLBOXYXXBUMXIZ-UHFFFAOYSA-N	420.246	5.163	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2314736202	ZUAYXOFGUXQCBV-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
COc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	2330218163	GFNULBQYZRPZCI-UHFFFAOYSA-N	416.525	5.110	10	10	HKCE	
CCN1N=C(C(F)(F)F)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O	2332131794	GCCTZALQLOPEDP-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134153	PUYMQNFOICAIGF-UHFFFAOYSA-N	410.473	5.098	10	10	HKCE	
Cc1cc(Cl)ccc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1	6076201	UVIGLEGOWPDRQO-OQLLNIDSSA-N	407.720	5.493	10	10	HKCE	
COc1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640974	HQHTTXMHRNJVAH-CKFHNAJUSA-N	416.315	5.301	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471370	FBPWHJNZTWYFNI-VVBPWWLESA-N	411.889	5.813	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14543998	KPMVVNJQFLAJMG-IRYADYCUSA-N	418.540	7.419	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	14549730	HTGLVLWKSDMPQZ-HWBMXIPRSA-N	412.508	5.625	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccccc1	33930588	HFLGDRWVTDWJGA-PDGQHHTCSA-N	408.460	5.261	10	10	HKCE	
CC[C@H](Nc1cc(Cl)ccc1Br)c1cc(Br)ccc1O	125341491	FBUFTJBPJNUCOP-ZDUSSCGKSA-N	419.544	6.134	10	10	HKCE	
Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)cc2c1	208275440	DAZOURZVHFMPTK-CPNJWEJPSA-N	411.596	5.143	10	10	HKCE	
CCN(CC)c1ccc(/N=N/C2=N[C@@H](c3ccccc3)N(Cc3ccccc3)N2)cc1	215827907	WZKWDRRZDWTVCQ-IVMFAJHQSA-N	412.541	5.692	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	226844464	VIWNLFWXPPOPLO-YDIMBITNSA-N	422.355	7.399	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	250219804	RLEPVHWGFAXGLL-LMVRJCEZSA-N	408.929	5.075	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2cc(NCc3cccc(Br)c3O)ccc21	378884178	JXRGATHBDXNINZ-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
Oc1c(Br)cccc1CNCCc1cccc(OCc2ccccc2)c1	382262599	CSDKVQWQZUNUGM-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C\C(=O)O)c(Br)c1	385244801	HHGUFJLJZYVCEK-WQTVUKCASA-N	400.316	5.352	10	10	HKCE	
CCOc1ccc2c(c1)-c1c(ssc1=Nc1cc(Cl)ccc1O)C(C)(C)N2	1084005564	YWCPOXBJOWPTDW-UHFFFAOYSA-N	418.971	6.127	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2sccc2C)cc1	1865670632	KCWBABDYBHLQSY-GHRIWEEISA-N	408.910	5.553	10	10	HKCE	
COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870997411	JRWTZOMSRIXZQM-UHFFFAOYSA-N	411.505	5.261	10	10	HKCE	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1	1872864313	BDLIJAFBMKIKME-UHFFFAOYSA-N	402.538	6.016	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2034732115	NMUZBNMHUUDIKX-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
COCCCCN(Cc1ccccc1)c1ccc(CNC(C)C)c(Br)c1	2095870340	NDWPYPWPYZKUEK-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
O=C1C(=CC=Cc2cccc(Br)c2)SC(=S)N1Cc1ccccc1	2297358578	OAJODVCUXDWSQI-UHFFFAOYSA-N	416.365	5.407	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1O	2321664266	GEWFVMTULGLJIY-UHFFFAOYSA-N	419.527	5.377	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323854372	RJCLQJOEXQPLLT-UHFFFAOYSA-N	424.418	6.163	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)c1	2332119088	BNWXNELWLIEPPA-UHFFFAOYSA-N	416.443	5.436	10	10	HKCE	
COc1cccc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)c1OC	2453732	QKGGLGKRHHIKQJ-OVCLIPMQSA-N	409.294	5.093	10	10	HKCE	
CCOc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1	6877986	DXWKRVFEUQWBJW-GOSISDBHSA-N	402.538	5.239	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641341	WRDLCEWZUULMMZ-IECBHUPTSA-N	409.526	5.718	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460689	AULNOFZTNSPIKG-GJPOJAMWSA-N	408.929	5.075	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462166	XNKRXNCWSOATAO-HWBMXIPRSA-N	417.597	5.889	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCCC1	14464196	YASOENKAOSBJHZ-WFIHMLKPSA-N	422.572	6.683	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14466508	ATHACDRMLWHFKF-UMTXDNHDSA-N	415.964	7.178	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471408	AFYMRZQLYGGOLE-MRUHUIDDSA-N	411.889	5.215	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753408	JYWMOCDGJLOWRZ-YPCDYVTLSA-N	408.457	6.433	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226842867	ZYHIBTIYJOIMNB-XJGOYTCSSA-N	424.544	6.441	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1	526211280	FYRUPRPIIZNKFD-OAQYLSRUSA-N	423.490	5.005	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2Cl)cc1	526584482	KWNJBLYHZOWNDK-FQEVSTJZSA-N	410.926	5.525	10	10	HKCE	
COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)c1	1084267667	VBZUBEXIUDCUIT-UHFFFAOYSA-N	418.478	5.015	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(CCC3=CCCCC3)C2=O)ccc1OC	1858591115	YHCSZEIJLJULCC-XMHGGMMESA-N	403.569	5.186	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865654193	JIECKLJXBULDGL-GHXNOFRVSA-N	401.171	5.048	10	10	HKCE	
CCCCOc1c(Br)cc(/C=C2/C(=O)N(CC)N=C2CCC)cc1OC	1865667583	DVOVLPVVOYAOFZ-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3[nH]2)cc1	1872737540	SWNPEWGAAOZXLX-GOSISDBHSA-N	412.537	5.567	10	10	HKCE	
Cc1ccc(O)c([C@H](C)NCc2scc(Br)c2Br)c1	2094178331	ZXWXKTYUDXOGSY-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
CC[C@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1	2297317089	SUHSGBIPOVAKSM-AWEZNQCLSA-N	418.566	5.775	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2313513915	LBISAVOEKWFBGO-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321569946	IOVKGZKRKXQNRT-UHFFFAOYSA-N	403.956	5.841	10	10	HKCE	
Cc1ccc(CN2CC[C@@]2(C)CCOCc2ccccc2)c(O)c1Br	2327600009	QIIZPLDJEMZWMK-NRFANRHFSA-N	404.348	5.034	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548291	JNSAZSCBQBWQFO-LZCXECNNSA-N	412.533	5.902	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	14550740	ZURNVRSBSSXNDE-MIZPHKNDSA-N	411.461	5.674	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20686874	WYVIADBTFOYGGG-SKVJQKLOSA-N	410.561	6.201	10	10	HKCE	
O=C1/C(=C\c2ccc(SC3CCCCC3)o2)SC(=S)N1c1ccccc1	102467038	HUOZGZVCAPDSSX-GHRIWEEISA-N	401.578	6.110	10	10	HKCE	
CC(C)N(c1ccc(N(C(C)C)C(C)C)c2c1C(=O)c1ccccc1C2=O)C(C)C	205172015	KVYWYLHBQAHOOT-UHFFFAOYSA-N	406.570	5.708	10	10	HKCE	
Cc1cc(/C=C\C(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1-c1ccccc1	211891563	MVKZLCJOPQMXOR-KHPPLWFESA-N	422.532	5.126	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226790022	SCQKGACTSLXDLD-DXBVXKBHSA-N	419.634	7.584	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)c1	526154540	WKZRXBOJRSGCLP-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(N(C)C)cc2)c1	526255164	MPUKDLSMSGDOFV-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1Cl	1860076527	HNFSLGKRMYKVMQ-RIYZIHGNSA-N	400.739	6.053	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCCC2)cc1	1866123870	WGEBUNUHBZBTPZ-HXUWFJFHSA-N	420.384	5.016	10	10	HKCE	
Cc1ccc2nc3c(c(C(=O)Nc4ccc(Oc5ccc(N)cc5)cc4)c2c1)CCC3	1866276221	ZAGOJNCSVCVOHR-UHFFFAOYSA-N	409.489	5.659	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2095952545	VJHNDJVWPNTQGV-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(Br)c1	2113623657	POQFHIVQOSPZKI-SJORKVTESA-N	419.407	5.286	10	10	HKCE	
CC(C)NCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)cc1Br	2129803655	QCKYBEYYUBWVDB-OAQYLSRUSA-N	417.391	5.133	10	10	HKCE	
N=C1C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=CN12	2297350039	OXJLNFSJIQYGLT-UHFFFAOYSA-N	401.900	5.002	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	2313538624	VPUOKDBIEBMMPU-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	2332119361	FXETVCNKJDCXKJ-UHFFFAOYSA-N	410.517	5.614	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OC	2332124270	KYGMIIZIUAODRP-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461431	BOQKFCAMASWICW-OARDWFSCSA-N	409.577	7.103	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477131	LMEUXLTWQQZTTF-NXMSCROESA-N	416.392	7.779	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546949	QVWBSGCAYHJVDG-ZMPRRUGASA-N	404.337	6.235	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)c1	14552538	BLWHSGNQOPKWJW-FXSPECFOSA-N	410.517	6.082	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C(\C)c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	39859096	HUYMGNCBKSZAPN-RGEXLXHISA-N	412.536	5.733	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53362891	OMQXRSOYUZRBNR-ZEQKJWHPSA-N	416.521	5.330	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2)c1ccccc1	226794768	YDJAEHDIBUHYHV-MVERNJQCSA-N	410.517	5.885	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226805750	ZENQIEWEZKCXKS-SLSDLSHTSA-N	412.558	6.487	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)cc1Cl	1083892751	ORJKNPQYUAKASF-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	1860085742	XDYBAAUGIUFIMI-CJLVFECKSA-N	422.619	5.891	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915460631	CVWRUJGGHYUNQW-FQEVSTJZSA-N	417.391	5.133	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2095954734	XMGOSAPIUAKKEP-SFHVURJKSA-N	417.435	6.390	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1c(O)cccc1Br	2139004080	UNEJXJPADKQIPL-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	2313610013	RLMDXZFEOAUAQC-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C2=S)cc1	2314486455	CXNUXGQYRWQPJK-UHFFFAOYSA-N	421.503	5.736	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134237	ZZRDXFRAIAHCDC-UHFFFAOYSA-N	410.473	5.016	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	6413176	XXSPNKCWWUQCDR-XDHOZWIPSA-N	411.935	6.314	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(NC(C)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642059	DJUOXAYKSIWRDK-PGKWVRKKSA-N	421.544	6.599	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469657	LYTZXRPXJWKEMF-VVZHRXSXSA-N	401.937	7.054	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20694893	QPYZHBRTJLMRHX-TXTKFYIRSA-N	400.909	6.419	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20696750	BFLYBHYHGLJMCE-SKVJQKLOSA-N	410.561	7.152	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(N2N=N2)cc1)c1ccccc1	97729697	HANUGJYYNNCKLQ-IAGGNUMHSA-N	405.461	5.679	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)cc1I	127727501	HUBSDQOXCDUMMH-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
COc1ccc(O)c(CNc2c(Br)cc(Cl)cc2Br)c1	312168903	XWVJHJKCELMNLA-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1N=Nc1ccc(Oc2ccccc2)cc1	1084160707	RNIGPVUOJVSFLA-UHFFFAOYSA-N	403.663	7.016	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1	1858592405	XADNPEGRNMIMQT-GZTJUZNOSA-N	423.481	5.506	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1Cl	1860086583	SQYMSJTXBRISHG-VGOFMYFVSA-N	414.766	6.361	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(Cc3ccncc3)cc2)cc1OCC	1860495355	WRYRZYLVNOTHDV-UHFFFAOYSA-N	404.514	5.492	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676574	KNBACWQEQRLHSU-KOEQRZSOSA-N	410.517	5.766	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCN(C)C)Cc2ccccc2)c(Br)c1	2095866090	FGZNQKHDDMOOSQ-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
Cc1cc(C)c(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1	2296453354	TTYUBMHJHVYZMS-UHFFFAOYSA-N	407.482	6.036	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1	2321579671	DSBFPYLNDADFLC-UHFFFAOYSA-N	412.580	5.337	10	10	HKCE	
CC[C@H](C)N(C(=O)C=Cc1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	2329725948	KAQHVPWGIFZNIT-IBGZPJMESA-N	423.512	5.615	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332099663	RSLWUZTVKAFFJZ-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332099966	XHXXYBLZPKHWQF-UHFFFAOYSA-N	422.915	6.323	10	10	HKCE	
COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc(F)c(Cl)c2)c1C	9228875	LSMXDMDGBWFUPT-UHFFFAOYSA-N	401.869	5.217	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455961	AYJDDMJPUYMTDE-ZYKOEDHHSA-N	414.574	6.155	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1O	14460037	YCGYYEVSKMXPHT-XLNZFTOWSA-N	418.537	5.099	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461139	IFLKRTXWBGMSOM-CKJXQJPGSA-N	400.316	5.768	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1OC	14479695	JJDCSTHYXDFJPF-IXFSTUDKSA-N	406.526	5.059	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547053	KIIPKWSZZSWBHR-ZMPRRUGASA-N	415.364	6.302	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(=O)c2ccccc2Cl)c1	16247368	JQEYHLYRDIUMKS-QNGOZBTKSA-N	416.864	5.365	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2	20680459	RJDWXQDPQRLCDW-AZSVPQILSA-N	410.517	5.790	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20697537	KRQQTDFXAODMNO-PLXFJCCSSA-N	415.581	5.595	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3F)N2)c1O	20763950	DQQMJARVLLGBLC-DHLKQENFSA-N	420.484	5.161	10	10	HKCE	
Oc1ccc(Br)cc1CNCCc1cccc(OCc2ccccc2)c1	388930963	XJXMKMCXKNUOJO-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1	1860087690	NZSWBYUFTQXFRX-LDADJPATSA-N	401.578	5.603	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865679033	QNYNBVVWDCHSLB-QPEQYQDCSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679785	GPGXMCFMXABDOP-LDADJPATSA-N	401.279	5.170	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc(C)c1-c1ccc(C)c(C)c1	1866100707	QSYKFZGJIVECOH-UHFFFAOYSA-N	407.535	5.996	10	10	HKCE	
C[C@@H](NC(=O)CCCC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)C1CCCCC1	1866250447	JMTDRJWJLAWWSV-LJQANCHMSA-N	421.585	5.053	10	10	HKCE	
CCC(C)(C)c1ccc(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1	1872829051	CVBXBRKJJJIXGU-UHFFFAOYSA-N	416.565	6.272	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1Br	1914856527	CUDMPVVJVFCSMD-HOTGVXAUSA-N	416.384	6.332	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3ccc(Br)cc3O)cc21	2088953838	TUSJCCUIBKTIBZ-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
COc1cccc(C=CC(=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c1OC	2295937324	WIXGXHLZRURSCC-UHFFFAOYSA-N	424.500	5.594	10	10	HKCE	
CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)Nc2cccc3ccccc23)cc1	2314565881	KRWIDKKTZJULKO-UHFFFAOYSA-N	415.537	5.048	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)c1	2321720055	LJXCNAYIVIOCLT-UHFFFAOYSA-N	417.939	5.311	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1OC	2332124576	QTALMSSWGZPUOK-UHFFFAOYSA-N	412.489	5.237	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332130448	BLGFBWQMKNVBDQ-UHFFFAOYSA-N	421.850	5.535	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	13641589	IBJMTWVXQIJPSC-YZZKKUAISA-N	409.526	5.718	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463336	ROJNRYBHCISAJD-QXTIUPHPSA-N	415.621	7.986	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468906	NYUBYVFQVRAGES-RLSLOFABSA-N	407.510	5.626	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476620	FATIZGHRFXPTBC-UZINWLIJSA-N	424.544	5.842	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546462	WXOPBCXNEVXXMO-VPYPWEPUSA-N	424.544	6.093	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552059	ZSQOBVKHEWAYEM-AWRGLXIESA-N	418.606	6.251	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226738820	IXJHBONSWHFGBZ-ZOCZFRKYSA-N	404.337	6.560	10	10	HKCE	
FC(F)(F)c1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1CNC1CC1	303399226	SVSIMVJMALAQBW-UHFFFAOYSA-N	410.483	6.164	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526233845	FHCSWMLBCAPVRJ-RUZDIDTESA-N	412.533	5.681	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526309364	GRFFIHAOFUAZRM-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	1860085370	HEZPHUWHTYHLFC-RCCKNPSSSA-N	408.592	5.637	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	1860086352	ATHBMHPIWFIRCP-RCCKNPSSSA-N	418.543	5.845	10	10	HKCE	
COc1ccc(Br)c(CNc2cc(Cl)cc(Br)c2)c1O	2236050107	AQIKIJIYOVWCOM-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1	2314627708	YIGMUZNUYWURLL-VWLOTQADSA-N	420.597	5.271	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(N2CCCCC2)cc1	2321685201	XESCEHNLHFODIR-UHFFFAOYSA-N	414.983	5.736	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cccc1OC	2332118505	SOLGNXNPKIHOSW-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1	6877915	DGEPSCPPGDIRKS-UHFFFAOYSA-N	402.538	5.383	10	10	HKCE	
CC[C@@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	11636712	IJGFSPJQUTTWPN-AWEZNQCLSA-N	419.399	5.131	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	13914963	YRXYBIJDYKBRAN-MOSHPQCFSA-N	404.554	6.102	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=S)cc1	35516800	CXNUXGQYRWQPJK-UYRXBGFRSA-N	421.503	5.736	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc(Nc2ccccc2)c1	95470941	RWKMIEICIZKCPT-JCMHNJIXSA-N	402.885	5.802	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	96563495	ABPNVSWJHIHGIS-FYJGNVAPSA-N	422.937	6.297	10	10	HKCE	
Cc1ccccc1/N=N\c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1	102828241	ACOYDVICKLLXEB-YFUQTONXSA-N	416.352	7.249	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	226879508	YWHHCIAGUJEUCH-DYRZZGSRSA-N	411.549	6.011	10	10	HKCE	
Nc1sc(N=Nc2c(Cl)cc(Cl)cc2Cl)c(-c2ccncc2)c1Cl	252610342	IAOSYEUAASZQEV-UHFFFAOYSA-N	418.136	7.421	10	10	HKCE	
Cc1ccc([C@@H](C)Nc2c(Br)cc(Cl)cc2Br)c(O)c1	379594529	GZXKDMRIZJPNMZ-SECBINFHSA-N	419.544	6.052	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccc(F)c(F)c1	1860087287	NBCGYOYTKSPVBD-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CCCCCCOc1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	1860487339	UJAXSJLFGIKWAU-OCEACIFDSA-N	424.545	5.191	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865673413	CIGQOVWHCUZPMY-YBEGLDIGSA-N	402.322	5.467	10	10	HKCE	
CCC1=NN(C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	1865674719	UNGHWZCGRGVKAT-CXUHLZMHSA-N	419.308	5.202	10	10	HKCE	
CCCCOC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	1874156559	MBZLEQKSTPOZLH-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
C[C@H](O)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	2077087211	FCTYBMGTYOMEDT-KKSFZXQISA-N	404.348	5.078	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2297321872	CKBBSJMHZUAFHI-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=S)N1Cc1ccccc1	2314486826	FGKOIQUIMWJLFP-UHFFFAOYSA-N	422.487	5.892	10	10	HKCE	
CC(C)Oc1ccc(NC=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2314736949	CZDKYBBLHRKIIF-UHFFFAOYSA-N	404.944	5.445	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OCC	2332113781	JCRVQVPGVLLKJQ-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
Cc1ccc(COc2cccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)c2)cc1	1150746	KLQMYXPIFNEZDC-PXLXIMEGSA-N	412.445	5.081	10	10	HKCE	
CCO[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O	1490064	WMUIIGVAWPWQAW-XMMPIXPASA-N	419.477	5.042	10	10	HKCE	investigational
COc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CC[C@H](C)C2	2909537	QHSLRSNNWYGKSX-HNNXBMFYSA-N	407.539	5.141	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458196	AEPYVOSSIPBWCB-JPYHZWLXSA-N	422.572	6.715	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	14465413	GGGIILVMTWLXQK-PLXFJCCSSA-N	401.937	6.788	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2)c1ccccc1	14548994	YBBVWSWBIPMBOB-MZLICYQSSA-N	400.547	6.241	10	10	HKCE	
CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(Br)c2cccnc12	17186187	PXASPSQXDLVEIJ-FOWTUZBSSA-N	423.339	5.517	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@H]2CC=C[C@@H]32)cc1	20752902	FLDFZWRMTWEJEX-WXVUKLJWSA-N	416.546	6.226	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1	137549410	WSEJSTGPFRWION-FAMDNJFISA-N	418.522	5.246	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226901649	XXRUIGZJVJWOPY-GKAFBRTNSA-N	418.540	6.569	10	10	HKCE	
CC1CCN(S(=O)(=O)c2ccc(N=Nc3cc(C(C)C)ccc3O)cc2)CC1	1084610538	ZNADJENXSFACAY-UHFFFAOYSA-N	401.532	5.352	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865677076	VCFSBOICOVQFGQ-ZHZULCJRSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccc(Br)cc3)C2=O)cc1	1865679798	HERKQTPKYNFCEO-YBEGLDIGSA-N	423.232	5.102	10	10	HKCE	
CCc1ccc2oc(=O)c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(C)c2c1	1866293131	KJSUNBVJFXPGDL-UHFFFAOYSA-N	412.489	5.089	10	10	HKCE	
CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C(C)(C)C	2079610630	ORZPLEJBMRQPMJ-UHFFFAOYSA-N	405.258	5.278	10	10	HKCE	
CC[C@H](NC[C@](C)(CC)N(C)Cc1ccccc1)c1cc(Br)ccc1O	2098945572	GNGISPGCUYBRQM-UNMCSNQZSA-N	419.407	5.496	10	10	HKCE	
O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc2ccccc2c1	2296754919	RQWGEUKYRLAQPC-UHFFFAOYSA-N	424.572	5.131	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1	2297511508	RWKMIEICIZKCPT-UHFFFAOYSA-N	402.885	5.802	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OCC	2332106550	GFAHZVJTACOHKL-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OCC)c1	2332116740	UJQCOZSPJKAJBB-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
Cc1ccc(CNc2cc(Cl)cc(Br)c2)c(O)c1Br	2352689367	OFEIYFVXSNPPEI-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)cc1)CCCC2	6877905	HLHRCNUSDQNJBQ-WOJBJXKFSA-N	407.602	5.047	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463514	ONCMGFAFLZOGCI-FBLLAGFSSA-N	404.554	5.403	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470477	GHIACCWAIFJZRK-XFAFFCHDSA-N	424.544	5.794	10	10	HKCE	
Oc1c(Cl)cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1O	20058177	QQMLNNBSPONFHD-UHFFFAOYSA-N	421.323	6.787	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S	59397696	MZRJPZHZCPWCMD-NVNXTCNLSA-N	424.425	5.328	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	100374394	JYWMOCDGJLOWRZ-UZINWLIJSA-N	408.457	6.433	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226739730	RUIMFAJRYXIYMI-STSQHVNTSA-N	412.917	6.500	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccccc1Cl	253572606	QJIXMIRHUHUUSH-XWTMOSNGSA-N	402.925	5.745	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858590698	FGKSXLUPCNVUFL-WDGDVPDHSA-N	402.412	6.554	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860075001	DHQCZWZDBSONMT-LNKIKWGQSA-N	416.738	5.758	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865656636	PKMQCMBBHJLLQI-STZFKDTASA-N	407.300	5.824	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865664625	HRJURETZERFCQL-WQLSENKSSA-N	419.617	5.995	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1	1865675108	PDGUJRUWNHFDTC-KOEQRZSOSA-N	410.517	5.396	10	10	HKCE	
C[C@@H](N)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1990442124	DMQAGODFGFAIAM-LJQANCHMSA-N	409.524	5.123	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C=O)c2Br)C2(C)CC2)cc1C	2079979009	KCGXRMKSNMJYMV-GOSISDBHSA-N	403.320	5.047	10	10	HKCE	
CCN[C@@H](c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)c1ccccc1O	2146240875	MLKAEDORBIOTJX-KRWDZBQOSA-N	411.329	5.745	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	2297317104	ZEQWMPIFZQSZHA-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1	2313681334	BSTZBNMZGMIECM-UHFFFAOYSA-N	418.324	5.891	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1cc(F)ccc1F	2321758069	GWATUBGFXIJDIR-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)c(Cl)c2C)c(O)c1Br	2380800876	MJVOXGNSVSICHH-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)cc3)[C@H](C)CC)ccc21	3585200	BHHWUIWVJTXVMV-GOSISDBHSA-N	413.993	6.335	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(Nc4ccc(F)cc4)c1c23	3741987	PECGOIVSYSFAOE-UHFFFAOYSA-N	413.452	5.912	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477786	OTPYVUFLUSPWQP-MRUHUIDDSA-N	415.364	6.350	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14478307	GYNKWOLOQFTLHC-WOVHNISZSA-N	418.537	6.771	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14548141	PMBIUCRLRCFDEB-NDIVSWGXSA-N	419.524	6.951	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	20680904	FBINUTNWXBDZNT-FUHIMQAGSA-N	411.343	5.414	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc(Cl)c4C)[C@@H]4C=CC[C@H]43)ccc21	20684374	UNTZAXUCPOXNRN-HMTCLSAISA-N	412.964	7.603	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764660	ONSARHIYDRMGNN-RCZVLFRGSA-N	404.485	5.461	10	10	HKCE	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)c2C)cc1	33727629	VRNHVUHQCAWCDY-MTJSOVHGSA-N	420.896	5.417	10	10	HKCE	
O=C1/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1	34864094	OGSXRAQJSNLIAK-QLBXNTAJSA-N	420.874	5.262	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53364251	HYACVBBLWRTGBH-RPLLCQBOSA-N	414.549	5.884	10	10	HKCE	
CC(C)(C)c1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	59426019	QLDFEIOCSJDWEU-JXAWBTAJSA-N	415.445	6.134	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNCC(C)C)cc1Br	387224399	GXHYHFSDOZIOSH-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860073444	GCFVOIFVLDVMCE-NTEUORMPSA-N	424.330	5.026	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860084325	SYEXBMZFUQJENP-OVCLIPMQSA-N	424.425	5.328	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	1865664214	GAKIZLGEUWZQPE-NTMALXAHSA-N	403.162	5.481	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1	1865863230	ADFYDWPVAWHZRV-UHFFFAOYSA-N	423.490	5.077	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2223536095	WUFLWYBVKGXJNQ-QGZVFWFLSA-N	403.408	6.142	10	10	HKCE	
COc1ccc2ccccc2c1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O	2293279626	WPJBCYOFXIDZEW-UHFFFAOYSA-N	411.935	5.908	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Oc4ccccc4)cc3)SC2=S)cc1	2297232888	VPCCMBDCMUWROO-UHFFFAOYSA-N	403.528	6.193	10	10	HKCE	
CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683067	QWPLNKGFTCXWFD-UHFFFAOYSA-N	401.897	5.785	10	10	HKCE	
CCOc1ccc(Cl)cc1/C=C1/SC(Nc2cccc3ccccc23)=NC1=O	2972014	UNEFSLYRTJJZFY-DEDYPNTBSA-N	408.910	5.974	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480095	JCVDBQQSDZWPIZ-RZOLNQLPSA-N	408.545	6.313	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543619	ATFWECHJNPROHC-PNIUZAESSA-N	417.593	7.261	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@@H]2C=CC[C@H]21	14552511	AFSQMMCODOFPCS-IPVFLDMMSA-N	410.517	6.082	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c1	14552537	BLWHSGNQOPKWJW-UMFSSWHCSA-N	410.517	6.082	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21)N1CCCCC1	20756667	QIJQZQSOSNPUBK-WOIUINJBSA-N	403.482	5.047	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)c2ccccc12	33308993	KPKUQHQWCYEICH-MOSHPQCFSA-N	416.502	5.137	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	226696154	XBVQSGUNIZXRPB-TVZXLZGTSA-N	412.489	6.309	10	10	HKCE	
Cc1cc(Nc2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])no1	256018246	DGCYRCKWEBNARF-UHFFFAOYSA-N	416.401	5.584	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076896	XDXBPYVUZFQMQG-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
CCCCCCOc1c(Br)cc(/C=C2/C(=O)N(CC)N=C2C)cc1OC	1865666818	UDDACQQCBVTHCC-LFIBNONCSA-N	423.351	5.038	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2cc(Cl)c(Cl)s2)nc1-c1ccccc1	1891546373	SZPIPXFRTORMNG-UHFFFAOYSA-N	405.353	5.288	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2034812551	DVGOZONWFPTMJC-QGZVFWFLSA-N	401.392	5.752	10	10	HKCE	
O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCc2ccccc21	2040433420	BJULPNXBPBCWHX-UHFFFAOYSA-N	423.491	5.671	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CN)c2Br)C(C)(C)C)c(O)c1	2079040856	SSOVOVPSIRVFPF-QGZVFWFLSA-N	408.384	5.051	10	10	HKCE	
COc1ccc([C@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079843155	DLXBVJUFQFGCTD-KRWDZBQOSA-N	423.351	5.105	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	2296807986	HNONPDFBPQOAEX-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
Cc1cc(C)c(NC(=O)CN2C(=O)C(=CC=Cc3ccccc3)SC2=S)c(C)c1	2296808124	VMFOIRPYRKNHDD-UHFFFAOYSA-N	422.575	5.008	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1	2321609738	ORHGUOALJDJADC-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O	2323681365	RKRKWMOEMVYHLD-CBBWQLFWSA-N	417.625	5.039	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332099413	SBUHFTUCNRVUTL-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
CCOc1c(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	2332117564	VMPWVTRSTLGGDZ-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S	6635483	NNOBCLOXYARLDF-AQTBWJFISA-N	415.536	5.125	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458115	QXQNEPALSHPYQS-HOOSLVGPSA-N	408.973	6.830	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2	14545784	DDELLFOZPLLDHA-YZIHRLCOSA-N	418.581	6.174	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21)c1ccccc1	14548927	RWGVGDJHGGLJTA-FPGHNAPASA-N	400.547	6.241	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14550522	LNHXKCNORSFMQR-XFAFFCHDSA-N	403.566	6.871	10	10	HKCE	
Oc1c([C@H](Nc2cccc(C(F)(F)F)c2)c2cccs2)ccc2cccnc12	54619472	KJCBMJXSMSARBY-IBGZPJMESA-N	400.425	6.222	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54620209	LEEYPPLUXJPMEL-DEOSSOPVSA-N	402.494	6.222	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(C(=O)OC(C)C)cc3)c3ccco3)c(O)c2n1	54620503	SUEBRYUFRFUYAD-QHCPKHFHSA-N	416.477	5.609	10	10	HKCE	
Cc1cc(Br)c(NCc2cc(Br)ccc2O)cc1Cl	235840480	IEETWEFLDMCCIC-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
FC(F)(F)Oc1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	254700203	IOBFLGYMQDYLKL-UHFFFAOYSA-N	408.383	7.058	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085826	MAAGISUFIXSRKA-XSFVSMFZSA-N	422.962	5.732	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(Br)c(C)c2)cc1OCC	1860496485	FZNBJTKPZGULDF-UHFFFAOYSA-N	406.324	5.577	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccc(C)n2)sc(C)c1-c1ccc(OCC)cc1	1865786137	JTAQMRSKVAWKAB-UHFFFAOYSA-N	424.522	5.255	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1	1915481940	YKERPVDDRXKOHP-MRXNPFEDSA-N	405.380	5.161	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2034822246	WQUHZGSUIWKEIX-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079998527	AUMIYZOLBQUQSR-LJQANCHMSA-N	416.949	5.477	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@@H](C)N)cc2Br)s1	2237725914	OYTCCZWQBIKPIX-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
CCCN(CCC)c1ccc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1	2294602849	SSPZLDIKHCXSSK-UHFFFAOYSA-N	409.961	6.081	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc4c5ccccc5n(C)c4c3)SC2=S)cc1	2297349220	LETSMGZJAYZKQI-UHFFFAOYSA-N	414.555	6.046	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1	2297550781	HZESSFREUISFII-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1Cl	2321609665	AHFTYYYXLGPFPP-UHFFFAOYSA-N	411.935	5.908	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	2323680502	HAZDWCIZBXFCLR-OTRWWLKZSA-N	417.596	5.120	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1	2332116731	SRJPCFBWLOMOBF-UHFFFAOYSA-N	414.908	5.850	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3cn(C)c4ccccc34)C2=O)cc1	2332128976	XJQNQEFKRDJKNC-UHFFFAOYSA-N	407.473	5.021	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O	2332131922	UXBVAFFPCRUWHR-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(N)=O)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642336	RQLFHTUYKAGSCH-KMEZTADASA-N	407.517	5.740	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)s1	20689901	QCBFEJJPBXXSJE-IPVFLDMMSA-N	414.574	6.454	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226661864	OSTMZAHEKDUSMO-DPLHUUCSSA-N	401.554	5.205	10	10	HKCE	
CCOc1ccc(C)cc1[C@H](C)NC(=S)N(c1ccccc1)c1ccc(N)cc1	243705295	PMHZDMSSDXCPBB-SFHVURJKSA-N	405.567	5.750	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccc(O)c(O)c2)cc1	526426274	AGZPQRSFARWNQO-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CC1(C)[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@H]1OCc1ccccc1	708192830	QUPHGXXYCNTAEP-ZWKOTPCHSA-N	424.766	5.282	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858588214	VGCWWICOJATJSN-RHLDMUPZSA-N	422.413	5.475	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)c1	1860073537	OPHPXHGPFBHDEP-HMMYKYKNSA-N	412.580	5.337	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	1860083896	CRHAKIPQVNAJKT-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677016	RDXQIPQQNZFXSV-NTEUORMPSA-N	404.253	5.093	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2034782724	LQJRDOXDLRKWHY-UHFFFAOYSA-N	403.408	6.142	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(CN)c2Br)cc1C	2079986128	RLDSGGIERFKAJA-HXUWFJFHSA-N	418.379	5.084	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2Br)cc1C	2080022308	ILZDUHDFYLRSFO-MRXNPFEDSA-N	423.351	5.209	10	10	HKCE	
CCCNCc1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100210359	LEVXLUNSKWHIML-YADHBBJMSA-N	417.391	5.133	10	10	HKCE	
CC[C@H](N[C@H]1CCCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	2104266599	PBBPWLYCVPCQJC-FPOVZHCZSA-N	417.391	5.250	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)cc1	2296763918	DZBFOKKMILMDNG-UHFFFAOYSA-N	408.592	5.885	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	2321672409	NQTLLHUSAUHHRY-UHFFFAOYSA-N	402.544	6.144	10	10	HKCE	
Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)o1	4509814	PCARFDKRBAKQGP-UHFFFAOYSA-N	403.507	5.428	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639346	RTSHHLUEGYSHRG-UEXGIBASSA-N	411.343	5.870	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459487	SVKPGLDJNLQZFE-RLSLOFABSA-N	412.489	5.480	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463077	FFIGILPOGBWXLG-FXSPECFOSA-N	414.593	6.653	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476637	OLJDLTFHSDPRPT-SXDGJLEOSA-N	411.545	6.881	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	14552369	UWPLZTLOVSSOLQ-DXBVXKBHSA-N	423.560	6.140	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	15054138	DAPRIAMQFLWZCV-IKTSRZDXSA-N	420.365	5.895	10	10	HKCE	
CCCCCCN1C(=O)/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21	83316958	WVKRZWHJXOFVEF-FMQUCBEESA-N	422.575	5.390	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1	103560389	YPKLLBOFOZWOFZ-IUBFCHALSA-N	409.902	5.647	10	10	HKCE	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	103671220	CAECPSVPLDCWFW-XDHOZWIPSA-N	406.825	5.104	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21)c1ccccc1	226847279	LNXWNESPLKBGCX-BPJRARJCSA-N	410.517	5.710	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	251183519	JCVDBQQSDZWPIZ-KRLMVVBNSA-N	408.545	6.313	10	10	HKCE	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	504096550	QTOCPACSSHFGOY-GTQRCTGISA-N	412.327	6.128	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858588494	IZDUZMCJANWNPR-UKHYEAEISA-N	411.514	5.731	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	1860085137	PTABUAURHOBFFL-RCCKNPSSSA-N	403.572	6.543	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	1865665948	VCHFQHDNQYOTNX-ZHZULCJRSA-N	402.881	5.184	10	10	HKCE	
O=C1/C(=C\c2cc(Br)ccc2F)C(c2ccccc2)=NN1c1ccccc1	1865673654	PPNJYUKMKXHLLK-RGEXLXHISA-N	421.269	5.423	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1c1ccccc1	1865675814	AZODAZHVDSVYEY-JWGURIENSA-N	416.908	5.962	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)cc1	1866089994	UCRVUZSAISVEAA-UHFFFAOYSA-N	409.327	5.193	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)Cc1ccccc1-2	1892123209	WFYBSCRIBBDTQA-UHFFFAOYSA-N	404.516	5.182	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079004416	RGHIWLYAGMGKNC-IBGZPJMESA-N	404.938	5.630	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2095888160	BQSXMSAXRULXGL-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
CCc1ccc(N2N=C(C)C(=Cc3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1	2297459129	FJTZUHZJTDQPAS-UHFFFAOYSA-N	406.526	5.489	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CNc1ccc(F)cc1	2313503320	XUJJGQSWIWATTN-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2318757185	XJYLXULEKDNXNE-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)c1	2321734298	WPRWOUWHFVNBKU-UHFFFAOYSA-N	411.426	5.005	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@H]4C=CC[C@@H]43)ccc21	13642424	CFNNYDINKZDUJP-GGZJYHEGSA-N	423.516	6.858	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14464212	KJPIMBPWUYNIMQ-LLGBQNBKSA-N	422.572	6.538	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467721	MQUWUZANBDBFBZ-MDOVXXIYSA-N	404.337	6.560	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478762	PZNXHXGZKLDVCA-PPJWLVRDSA-N	408.545	5.794	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14544005	XVCSMHMUIJRWRM-NDIVSWGXSA-N	419.524	7.467	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(NC(=O)C(C)C)cc2[C@H]2C=CC[C@H]21	14544473	YQMCBZDYJQJYFP-LZCXECNNSA-N	412.533	6.269	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1OC)[C@@H]1CC=C[C@H]21)c1ccccc1	14546379	STFPEVZTZOKRTB-LZCXECNNSA-N	424.544	6.188	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552040	JZYWYOLTHKZABB-UDSSINMLSA-N	420.578	5.144	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@H]32)cc1	20697509	TTZKGCXNHHMTIU-RQTOMXEWSA-N	403.570	5.954	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ncc(Cl)c(C)c3Cl)c3ccccc3)c(O)c2n1	54200380	UQGFYCBIOQBCTM-HXUWFJFHSA-N	424.331	6.461	10	10	HKCE	
Cc1cc([N+](=O)[O-])ccc1N[C@H](c1ccc(F)cc1)c1ccc2cccnc2c1O	54621791	CPZFGFRJXNCMRA-OAQYLSRUSA-N	403.413	5.498	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226687326	CEKVMWCQEPDYNA-JEYPMZLKSA-N	414.593	6.501	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1	226713388	DUNKFQTUGAZCEW-LNEBKTTKSA-N	416.565	5.545	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226850070	CDYNEZKSKLVMSC-WHSLLNHNSA-N	400.736	7.627	10	10	HKCE	
Cc1ccc(N=Nc2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)cc1	254631938	NBAAHHZSJDNWCI-UHFFFAOYSA-N	424.504	6.588	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CC)cc1	1865670325	UCQPGTZDCRBNFR-LYBHJNIJSA-N	412.533	6.605	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865677521	NLPZRFZHRFLDEY-PDGQHHTCSA-N	411.263	5.967	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cccc(OC)c2)cc1	1865678248	AYLJBOSPQRMJKE-HMMYKYKNSA-N	418.880	5.192	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865679877	LCJMIKHNIRIXBC-JCMHNJIXSA-N	402.881	5.179	10	10	HKCE	
CNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	1946787123	JMJUDPIRRLYWAS-UHFFFAOYSA-N	401.270	5.128	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(C)c(C)c3)C1=O)cn2C	2318756107	HHPJOWFJUMDAKG-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(CN(CC)CC)cc3)SC2=S)cc1	2321656250	QUWNBOUTJXQHQP-UHFFFAOYSA-N	410.608	5.497	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(N2CCCC2)cc1	2321698139	NCSPRGVKCUMCMY-UHFFFAOYSA-N	405.548	5.174	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cccc(Br)c1	2332097969	KCYWUZHLNBPVPM-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F	2332134004	ZCFNKVHBXZBNMO-UHFFFAOYSA-N	422.834	5.471	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	13645399	TVTCWKWFMLWKIX-JQVVWYNYSA-N	422.575	5.684	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466944	SAEGMNSIGXCYQW-VWKPWSFCSA-N	403.353	6.372	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14472128	GEVVXZFCRZJYQI-PLXFJCCSSA-N	412.489	6.043	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548673	JCWJZXUHGZNCLZ-KGVIQGDOSA-N	416.612	5.385	10	10	HKCE	
CN(C)c1ccc(/C=C\c2cc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1	17062659	JYZURQWLRUTRQE-TYVLLQCESA-N	419.572	6.708	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@@H]3C)cc1)CCCCC2	20532508	SNQSGRMQWHYHFE-SFTDATJTSA-N	421.629	5.437	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc5ccccc45)[C@@H]4C=CC[C@H]43)ccc21	20684052	KMZYHZDVUIYMQE-AAEPNQCFSA-N	414.552	7.794	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755757	IXMXBZPVLMBHOD-PLXFJCCSSA-N	413.517	5.980	10	10	HKCE	
CC(C)=CCC/C(C)=C\COC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	32603306	PNJRCVUBTAWONT-FYKFSRJCSA-N	405.542	7.018	10	10	HKCE	
Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)c(C)c1	33334926	VMFOIRPYRKNHDD-KMAMYUHFSA-N	422.575	5.008	10	10	HKCE	
Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2c3ccccc3cc3ccccc23)C1=O	33389218	UOVMFBMOMDJESB-JCMHNJIXSA-N	406.441	5.808	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccccc3C(F)(F)F)c3ccncc3)c(O)c2n1	54618864	FFTGKHKDQQYQOV-HXUWFJFHSA-N	409.411	5.864	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1	100147911	NTSBOKLRQAIIEF-IMRQLAEWSA-N	418.496	6.225	10	10	HKCE	
C[C@H](COc1ccccc1)Cn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21	102467950	QDAQXLCPSKNFBO-GKXUUXLPSA-N	422.575	5.187	10	10	HKCE	
Cc1cc2c(n1-c1cc(Br)ccc1Br)CC(C)(C)C[C@H]2O	110038065	DISPBUOHZVFTDF-MRXNPFEDSA-N	413.153	5.317	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)c(OC)c1)N2	226706921	IJVYSWQJMSYYMR-UMEGOILYSA-N	420.553	5.490	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C	1084165134	XCQAQTBCTMGYNT-WOJGMQOQSA-N	419.955	5.542	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(F)c(C)c2)SC1=S	1860084381	UYBOTEAOJVBTEX-CAOOACKPSA-N	407.919	5.510	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)c1	1865658623	PGLJNOIORQXYOV-ITYLOYPMSA-N	422.572	6.431	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc2ccccc2c1	1891682399	FNIBOLNJCAWFJS-UHFFFAOYSA-N	402.447	5.042	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)c(CN)cc1F	1915364997	QTOCHVUKEXIRRK-AWEZNQCLSA-N	419.363	5.876	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(C=O)c2Br)cc1C	2079979562	REXDOOKXFMMRTG-LJQANCHMSA-N	403.320	5.047	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100219281	JUPPBXHSIPDLPQ-FGZHOGPDSA-N	417.391	5.131	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)C)cc1Br	2223532912	UGITWQZSKGASBO-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321602934	XRXWZUCYNURPJU-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332122225	HGHRIAWMFGATGE-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
O=C1C(=Cc2ccccc2O)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332140632	XKXDOMIPOAXYDF-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCC2)o1	6191468	QWVNVONFDGZYBJ-GXDHUFHOSA-N	408.310	5.269	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466205	GLPWBXPUIHANJW-AXHZCLLHSA-N	414.936	6.097	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477317	DVLNOWKWCUCNQP-VFPDKUSMSA-N	415.364	6.348	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14548217	IAMAMYCKSRYBFP-HXVQJGFHSA-N	419.524	6.951	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	16694498	JWGVFIICPZGYQA-BOPFTXTBSA-N	415.251	6.199	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(N(C)C)cc2)N3)c1	20795336	IGKQAVUYESVTGK-FKCDAAJZSA-N	423.560	6.140	10	10	HKCE	
CCc1cc(Br)ccc1N[C@@H](CC)c1cc(Br)ccc1O	128053126	LBPCLKNGTYSGBE-HNNXBMFYSA-N	413.153	6.043	10	10	HKCE	
Nc1ccc(N(C(=S)NCc2ccc(Br)cc2)c2ccccc2)cc1	243031438	IAHPKOWPMHFPBD-UHFFFAOYSA-N	412.356	5.244	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C)cc1	526496871	PVZQDQVKITWDSF-QHCPKHFHSA-N	418.562	5.960	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1	1860076865	SZYQTNCVTOXAHI-RVDMUPIBSA-N	404.538	5.405	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	1865672971	PSYKZYKYMRPCAI-BUVRLJJBSA-N	421.500	5.315	10	10	HKCE	
CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679391	LEERIWNPBMCCCD-LFVJCYFKSA-N	414.480	5.597	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccccc1	2297320766	RAUDFXNPAOXMSP-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1CCC1=CCCCC1	2323839733	UPWIFHYYPLLNGR-UHFFFAOYSA-N	408.386	5.541	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13644746	BYQLXYQTNLDCAL-BXTSTYNKSA-N	424.588	6.591	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1	14479965	ITHIEARWUICTKX-SGIRGMQISA-N	422.594	5.242	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546999	DIQATWDVIANZFU-RUEUISIXSA-N	415.364	6.348	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	14548298	GSYLJCFFZDPYMY-WOVHNISZSA-N	410.517	5.608	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	19888468	SMVBVCZQWZJDHO-FHAGJXEFSA-N	416.351	8.126	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	20706121	GISCFPOAEIHZGZ-PXARDIRTSA-N	411.889	5.215	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710462	QXMSPRFFVAPSOQ-YPCDYVTLSA-N	412.489	6.309	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1	20759072	JZYWYOLTHKZABB-CLWLKPMESA-N	420.578	5.144	10	10	HKCE	
CCCCN1/C(=C/c2ccc3ccccc3[n+]2CC)Sc2cc(NC(C)=O)ccc21	20807352	BKJKKYOQFLUKGS-UHFFFAOYSA-O	418.586	5.816	10	10	HKCE	
Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1	53363383	MPFWYIHVDCGBSF-FYYLOGMGSA-N	421.338	5.686	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226743050	VYFHAJIFQGROAA-YZIHRLCOSA-N	407.985	7.516	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226748207	GIKXUJZKTOPLLS-SIFCLUCFSA-N	418.320	6.092	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	1083899286	VKGDIICKXUANNY-PXNMLYILSA-N	423.390	5.881	10	10	HKCE	
Cc1ccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)cc1C	1857850415	LMWWMFRBYJLBNE-UHFFFAOYSA-N	416.615	7.110	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(N2CCCCC2)cc1	1860085743	XESCEHNLHFODIR-XMHGGMMESA-N	414.983	5.736	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccc(O)cc2)cc1	1865658338	FZEQCCPTGPNAEH-JJIBRWJFSA-N	420.468	5.389	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668580	GGCPFFKLOHJRAG-JVWAILMASA-N	424.544	5.993	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCC)cc1	1865669157	FCZSUUWWWPHRTA-LDADJPATSA-N	417.336	5.974	10	10	HKCE	
CC[C@H](Nc1c(C)ccnc1Br)c1cc(Br)ccc1O	2235438084	OUXQQYPXEVNIJX-LBPRGKRZSA-N	400.114	5.184	10	10	HKCE	
O=C1C(=Cc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(F)c(Cl)c1	2294623791	MSKIEDJGSXVJLO-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1ccc(C=C2N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1OCC	2296052854	DIDZBZDXWNMKHJ-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
Cc1cccc(C)c1Nc1c(C(Cl)=Cc2ccccc2)nc2ccc(Cl)cn12	2297337008	UZLSOPAGOCRMGH-UHFFFAOYSA-N	408.332	7.085	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc(Cl)c1OCC	2297459157	LGRZTGFHQMGNRR-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccccc2F)cc1	2332096510	QDGARAJVHIKTAD-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099296	FWJJHKSAYYIQQC-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCC)c(OC)c1	2332124481	GUETWWZXEADEFR-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133422	LMYSKQIEFPZXIM-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O	14457564	LHEPLQWUIOJSOG-WZOHSFFVSA-N	412.489	5.480	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462940	PCWHGFLIHQIKLL-HFMPRLQTSA-N	410.583	5.323	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14544161	UVBLWEFQRJIXOF-JTUHZDRVSA-N	406.323	6.437	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710965	AWTSHMXYZGBDHA-VHSZZVNMSA-N	411.545	6.879	10	10	HKCE	
Fc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20754690	SYYSEHFWCVOANU-RQTOMXEWSA-N	401.481	6.110	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	39859238	OAMOAXUFWNUFCW-SXGWCWSVSA-N	423.346	5.358	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363156	TVLOMLSHPIIMCD-LADGPHEKSA-N	424.903	5.806	10	10	HKCE	
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/C=C\c3ccc(N(C)C)cc3)N=C(O)CCN21	254795395	LDIUBBVMNFQQGA-NUUGERKCSA-N	401.554	5.485	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385504090	KAKHKPSBUVHPJX-QGZVFWFLSA-N	401.392	5.754	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1	526497786	YLJPJHDOBNPFNP-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
CC[C@H](C)N(C(=O)/C=C/c1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910524	KAQHVPWGIFZNIT-PIOKWQJESA-N	423.512	5.615	10	10	HKCE	
CCc1nc2ccc(F)cc2c(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c1C	1866274759	IPEQLKHKXWBQMM-UHFFFAOYSA-N	413.496	5.670	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H](C)c2cscc2Br)c(Br)c1	2186592230	PMQKHVMNMRVGCH-VHSXEESVSA-N	418.198	5.490	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1cccc(F)c1	2332099890	OTPVWDOQQBMEPR-UHFFFAOYSA-N	406.460	5.809	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(C)cc2)cc1	2332104913	FDBODGYZQKTQIH-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CC(C)CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1	2674159	FOIWUJJUXGJNSI-LBSLPOPVSA-N	411.592	6.074	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc1Cl	6672329	FVVAVIMOVVFKGK-CXUHLZMHSA-N	407.969	5.476	10	10	HKCE	
COc1cc(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1	9228604	VVPWQFPDXBHKQO-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459201	PIBJICWAZQDVHB-GLDPYIMESA-N	418.537	5.244	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14460564	CSWWPAXILKNZPF-WRALFONMSA-N	417.936	6.624	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475311	DJIXIIFMOUAVMJ-RQTOMXEWSA-N	418.562	5.355	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477322	HWOLHNRGSXXAGK-SMASLZHESA-N	401.337	6.559	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545010	AHSIWGNLIALKRP-TWLCBMPQSA-N	406.529	6.616	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546970	RMIIIRIHOODEPM-VDABOFBKSA-N	422.355	7.399	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549328	DQAPWOYCPJOBJF-DIIXFEDBSA-N	419.568	7.854	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14551810	OAXLBWGWDIKMEN-IMSXRSKXSA-N	412.558	6.487	10	10	HKCE	
COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C(C)(C)C	100302700	YDXIAAYPLSGGBH-GHRIWEEISA-N	413.315	5.290	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CC/C3=C\c1ccco1	102893191	HTFNUQUBLSHHEW-VAWYXSNFSA-N	406.463	5.395	10	10	HKCE	
Nc1ccc(N(C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc2)cc1	170388747	LRBNFCJBWGEEBI-UHFFFAOYSA-N	421.500	5.167	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226731625	ZBBQYALDNISNMV-FAKFISEUSA-N	408.929	5.075	10	10	HKCE	
Cc1cc(NCc2cc(Br)cc(F)c2O)c(F)cc1Br	715746404	VDCIYTBCRUHLFN-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CC[C@@H](NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	723948003	NXVBDEKLDIGCGJ-GHTZIAJQSA-N	417.391	5.108	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	1084513390	YOQQZUUESHSSCB-QGOAFFKASA-N	414.508	5.180	10	10	HKCE	
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084606599	JKOZGFQGWBOPTQ-UHFFFAOYSA-N	418.478	5.015	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656623	OMDYNTIMILXPAC-XMHGGMMESA-N	423.299	5.837	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1	1865664843	NQZYYZBWNZTYJN-MOSHPQCFSA-N	421.327	6.132	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1OC	1865672786	LIENWRWJHSPUMC-RVDMUPIBSA-N	419.308	5.597	10	10	HKCE	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1F	1891922292	JWAIYFDFDCFHIO-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	2179667716	LWVIIAWLQINXLI-QGZVFWFLSA-N	411.329	5.055	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1cc(F)ccc1F	2321757968	KJDQKRGZVKZXRB-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332122171	BOUCFRFUJQBMSF-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1OC	2332124556	OQQQSHNYNDOUOO-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
Cc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	4730070	RONITVBJOUXVAA-JOCHJYFZSA-N	411.977	5.078	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1	14479966	ITHIEARWUICTKX-FBLLAGFSSA-N	422.594	5.242	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544414	WTCQEXFJEONXNI-YRTUYQHASA-N	415.533	6.090	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(F)(F)F)c3ccccn3)c(O)c2n1	54619580	VETFAPRTNRWFIG-OAQYLSRUSA-N	409.411	5.864	10	10	HKCE	
C[C@H](c1ccccc1)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ccccc2c1	248070919	AWNLUTKPRPTMGQ-OAQYLSRUSA-N	408.545	6.309	10	10	HKCE	
CC[C@@H](Nc1cc(Cl)cc(Br)c1)c1cc(Br)ccc1O	308318225	FKNHKKHBJXKCCO-CQSZACIVSA-N	419.544	6.134	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1860084445	YRAKHPYBPMYGSH-LICLKQGHSA-N	408.375	6.523	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)ccc1Br	1860087451	YQJZWCHZYQXQNU-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668442	XVGZUSFGQZGHSO-JJIBRWJFSA-N	412.489	5.470	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N2CCC(Cc3ccccc3)CC2)c1C	1873827689	PCESHZOXEBNMNF-UHFFFAOYSA-N	402.538	5.198	10	10	HKCE	
CN(Cc1csc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2024824587	PMEOODFHXPJTQH-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079999306	WKDBVOIWZFXPML-HXUWFJFHSA-N	416.949	5.693	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCN(C)C)Cc2ccccc2)c(Br)c1	2095866089	FGZNQKHDDMOOSQ-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1Br	2297357199	MRLYBUBLKPUXRV-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313682651	HZJSSOQIWLOVTQ-UHFFFAOYSA-N	401.897	5.155	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1	2321614926	YABGVRRKLRKWLY-UHFFFAOYSA-N	400.544	5.073	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2321643914	WZCQDHGLQITMFN-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1C1CCCCCCC1	2323725601	PWASYUPKPZQPQW-UHFFFAOYSA-N	410.402	5.763	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332099941	UMLQWQXHIITBBM-UHFFFAOYSA-N	406.835	5.986	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332128115	RTBYNBLEXOXMBI-UHFFFAOYSA-N	405.379	5.670	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474269	LNXWNESPLKBGCX-YMGHSFPGSA-N	410.517	5.710	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549531	XXRUIGZJVJWOPY-PRVBGKCFSA-N	418.540	6.569	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20688029	XYXUIUBORDYJGI-JXHRLWIKSA-N	400.547	5.813	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691707	BDSRJJNHYHJJPJ-ITLAICGJSA-N	415.621	7.788	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1cccc2ccccc12	101463644	CLULFDHSDOJNRT-LFVJCYFKSA-N	411.501	5.724	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226633203	UINANLCAMGVKMV-UMFSSWHCSA-N	413.517	5.980	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226884936	OHGXMLZVAOGPCS-GNMOFYLKSA-N	412.533	6.414	10	10	HKCE	
CC[C@@H](Nc1cc(Cl)cnc1Br)c1cc(Br)ccc1O	380277641	ZHUIQVIBXDDSSB-LLVKDONJSA-N	420.532	5.529	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1cc(O)ccc1O	382922143	BEAMJJUUMXIYHE-SSDOTTSWSA-N	421.516	5.449	10	10	HKCE	
CCCNCc1ccc(N2CCC(OCc3ccccc3)CC2)cc1Br	384093957	NMASMGHIEILMCG-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858588502	JPJCMIXHRRLUQR-NEUTWTPCSA-N	412.407	6.019	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cl)cc1Cl	1860084780	KRFDQWZWSBKRGA-MKMNVTDBSA-N	402.274	5.677	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	1860085114	OBIBBCDFEAKMNC-XSFVSMFZSA-N	411.592	6.177	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1	1865954544	BNUMIEWFQFEKKB-SANMLTNESA-N	408.501	6.026	10	10	HKCE	
COC(=O)c1c(NC(=O)c2n[nH]c3ccccc23)sc(C)c1-c1ccc(C)c(C)c1	1866135749	MDMMZEJEHTXHJV-UHFFFAOYSA-N	419.506	5.256	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	2040588100	VWMYBPDTPQQFEC-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
Fc1ccc(COc2ccc(-c3ccccc3)cc2/N=N/c2ccccc2)c(Cl)c1	2295355962	AHXULKSGYAQAIJ-ZQHSETAFSA-N	416.883	8.141	10	10	HKCE	
O=C1C(=Cc2c3ccccc3cc3ccccc23)SC(=S)N1CN1CCCCC1	2313501937	PELFQTDRLMHJFJ-UHFFFAOYSA-N	418.587	5.638	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	2321656260	SBJNJLWASIZHJU-UHFFFAOYSA-N	417.555	6.447	10	10	HKCE	
CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN(CC)c1cccc(C)c1	2330189161	QBRBJMUXQRYULQ-UHFFFAOYSA-N	412.534	5.154	10	10	HKCE	
Cc1ccc(CNCc2ccc(Cl)c(Br)c2)c(O)c1Br	2381135003	KVNYCEZTLWSQFS-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC(C)CCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1	2674161	FOIWUJJUXGJNSI-WNSCPLKPSA-N	411.592	6.074	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644298	OSTMZAHEKDUSMO-AWRGLXIESA-N	401.554	5.205	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458072	BDSRJJNHYHJJPJ-FVVBACEJSA-N	415.621	7.788	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464153	DJHRQRPGPHPVNF-UAHYIAQRSA-N	424.544	5.575	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466799	FADPLTDBAOGZEB-OHUGHZGNSA-N	414.936	6.443	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466946	SAEGMNSIGXCYQW-CKJXQJPGSA-N	403.353	6.372	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479645	ATJMDHQZXPSCTB-RGKFVRLKSA-N	407.510	5.088	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)s1	20688795	STGRKSMFLLSDBK-DNVFCKCGSA-N	422.575	5.684	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	20715838	BXOAHSOVSPWXLQ-XQNUDUSMSA-N	406.526	5.059	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1	54620062	NCQKDFDVRRZATF-JOCHJYFZSA-N	413.477	5.104	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226654389	BYQLXYQTNLDCAL-QQNWGBJXSA-N	424.588	6.591	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226681248	CXXNCKQSCBNRKC-TZBSWOFLSA-N	424.610	5.667	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226897609	WEFHMHJRRDYXCR-QZMQVMSPSA-N	402.365	7.245	10	10	HKCE	
COc1cccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526147487	YZBYYNUJVLWHBK-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc(F)c(F)c1	1860087328	PKOCTPWVJXFBNT-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656790	RUKASYATPAGRIQ-KGENOOAVSA-N	423.299	5.837	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2C)cc1	1865680222	CMBIAMBZHPNRLR-HYARGMPZSA-N	402.881	5.492	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Cl)c(Br)c1	1891175281	DMOACMBKCRCQSH-YOEHRIQHSA-N	419.750	5.021	10	10	HKCE	
Cc1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1	1892129691	YTLYAYLUQMPVLW-UHFFFAOYSA-N	422.531	5.712	10	10	HKCE	
CCCN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999537138	UDWWVTXHPUAFJK-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079037776	OSJFXAHXSUJKSH-CQSZACIVSA-N	419.241	5.126	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1	2294259159	NNAYVBXBGASGLF-UHFFFAOYSA-N	402.837	5.720	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)SC1=S	2297455021	XFLPPDHQUWVTAV-AWEZNQCLSA-N	409.507	6.048	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2321658112	HPGRGGKIQPTBEQ-UHFFFAOYSA-N	407.491	6.024	10	10	HKCE	
COc1ccc(CCN2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2323733531	XIMNJNGPOJKXII-UHFFFAOYSA-N	423.481	5.158	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccccc1	2332122239	IOXCRGNISWHEPV-UHFFFAOYSA-N	406.526	5.312	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2sccc2C)cc1	2332127606	OMUWNKYWWUSWLM-UHFFFAOYSA-N	402.519	5.204	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cc(Br)ccc1F	2332129665	AIWLWTVSBDNXJJ-UHFFFAOYSA-N	419.269	5.309	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c(C)c1	3092213	BUSPRDFHKPQMGT-MFOYZWKCSA-N	423.390	5.881	10	10	HKCE	
CC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	10910006	IFTDBVZXYNBZMY-RUZDIDTESA-N	410.473	5.023	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473179	RUIMFAJRYXIYMI-IEGUWTFLSA-N	412.917	6.500	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1	14550566	OTEAYUHANJMWNS-HWBMXIPRSA-N	402.538	5.394	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1	19893024	DQPOBQGPEVCFJD-RKVPGOIHSA-N	407.682	5.771	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699590	SMAUWRKQINNDNZ-PQNGQFLHSA-N	414.936	6.097	10	10	HKCE	
O=C(/C=C\c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O	33662261	LRTXLINAKOAETK-QKWZMAAQSA-N	402.881	5.437	10	10	HKCE	
O=C1/C(=C\C(Br)=C\c2ccccc2)SC(=S)N1Cc1ccccc1	100594196	ODIYOSSGBUIWNU-QJWWANOYSA-N	416.365	5.367	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250645828	KVKAAEORUYBRCM-NXMSCROESA-N	416.452	6.139	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526399329	NXAXONSMLRLQIQ-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	1858588439	FXOWISFNZHENJL-TUSKYJEMSA-N	417.596	5.120	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	1860085634	GNNFFTJGCWVLQP-CJLVFECKSA-N	416.571	5.641	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678392	KDUDPPPAISYZKT-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c1C	1891236076	QMTALICXMCLZHB-UHFFFAOYSA-N	408.495	5.123	10	10	HKCE	
Cc1c([C@H](C)N)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901883661	WESDWIIDYIDANN-QHCPKHFHSA-N	401.598	5.462	10	10	HKCE	
CC[C@H](Nc1cc(Br)cnc1C)c1cc(Br)ccc1O	2279937706	WQNFAHAUANAFJJ-ZDUSSCGKSA-N	400.114	5.184	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S	2314755045	OVAYMNFBJUFQOG-UHFFFAOYSA-N	405.585	5.135	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1	2321601643	PKFVSGHNJMHHHW-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104784	RIXCGBXLFUTELM-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1cccnc1	6456807	YEPCQOPHCHKIPA-VCHYOVAHSA-N	412.923	5.396	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457189	IIHOTINARXOJBR-JXQFQVJHSA-N	418.537	5.290	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470124	PJVYMZRAJVFCTI-OARDWFSCSA-N	411.545	6.879	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717630	LMZZFNIEIQKSLT-LGVFNWMJSA-N	402.538	5.538	10	10	HKCE	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1Cl	33314304	HYWJCHRKAGTMDA-RQNDZEIBSA-N	412.873	5.332	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	34139102	SOJAXPQQGIJHHM-FXBPSFAMSA-N	424.500	6.364	10	10	HKCE	
CCn1cc(/C=C2\C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)c2ccccc21	59862357	SUPWFFOUWHPMMQ-ZHZULCJRSA-N	409.445	5.321	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)cc1	526166620	JYDZDBLMJUWASQ-DEOSSOPVSA-N	424.456	5.012	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1	526326102	KYXOPXDUQRGALS-RUZDIDTESA-N	423.468	5.617	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	1865664904	REGOUCHEQZWQKN-NTMALXAHSA-N	419.617	5.995	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F	1865674606	OKYCDSVQSIDVNF-OWBHPGMISA-N	408.807	5.477	10	10	HKCE	
CCOC(=O)c1c(NC(=O)Cc2cscn2)sc(C)c1-c1ccc(Cl)cc1	1866132525	SHWNOMRUMGVBEB-UHFFFAOYSA-N	420.943	5.191	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccccc4Cl)ccc3[nH]2)cc1	1872736430	LEQODXQIJNCFBH-UHFFFAOYSA-N	418.928	5.982	10	10	HKCE	
Oc1c(Cn2ncc(C3CCCCC3)c2Br)cccc1C(F)(F)F	2070287932	TUPPEBSYOTXAQH-UHFFFAOYSA-N	403.242	5.466	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	2297469193	VIISGLPHBCWZQS-UHFFFAOYSA-N	406.429	5.422	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	2323680485	FXOWISFNZHENJL-YQFWSFKMSA-N	417.596	5.120	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cn(C)c3ccccc23)cc1	2332128780	CBXHHKHJFSTCPO-UHFFFAOYSA-N	407.473	5.021	10	10	HKCE	
CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729878	DKEGDMRGWFGUIS-RBBKRZOGSA-N	415.375	5.757	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14462899	HANFXXQTCRAHEL-PPJWLVRDSA-N	414.593	6.699	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14480674	MRKCZNKOMAEUEK-SGIRGMQISA-N	416.565	5.974	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547054	KIIPKWSZZSWBHR-PONJGIIJSA-N	415.364	6.302	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699532	HXIMPCSTCDQPQI-TXTKFYIRSA-N	406.957	6.229	10	10	HKCE	
CCCCCCNc1cccc2c1C(=O)c1cccc(NCCCCCC)c1C2=O	138607072	DUKDQFIAQRXQOS-UHFFFAOYSA-N	406.570	6.446	10	10	HKCE	
COc1cc(NCc2cc(Cl)cc(Br)c2O)ccc1Br	708111235	NRSLAPIORLIBKV-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)o1	1083985440	KHCIHOZSBAXNAW-HYARGMPZSA-N	415.449	5.532	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(-c4ccc5ccccc5c4)[nH]c3c2)c1	1859442659	ABTRNUNTHNQQJW-UHFFFAOYSA-N	406.489	5.701	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865664847	NTZXMMKKEYCTCV-GHXNOFRVSA-N	419.617	5.995	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2034701295	BDVWHMYYDCYZJK-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CO)c2Br)C(C)(C)C)cc1C	2079993122	NOEUSHXMGSMANL-IBGZPJMESA-N	421.379	5.363	10	10	HKCE	
O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323865497	JIASPUGHUPYBSA-OAHLLOKOSA-N	424.330	5.021	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	2332105103	YPNCCMGSQGPJDS-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2CC)cc1OC	2332125795	RCEOEONAJYRFPE-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332140239	NLPZRFZHRFLDEY-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
Cc1ccc(CN(C)[C@H](C)c2cc(Br)cs2)c(O)c1Br	2380765405	LYQHACYVTDXRDC-SNVBAGLBSA-N	419.182	5.480	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3O)C2)cc1	4729815	NCFGVIIDIIBRAH-NOZRDPDXSA-N	402.563	5.899	10	10	HKCE	
S=C(NCc1ccco1)N(Cc1ccccc1)Cc1ccc(Cl)cc1Cl	6339241	LRRYSSBYYOFBPV-UHFFFAOYSA-N	405.350	5.663	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456619	MYYBWSCEISFWAM-DZRGJMJISA-N	414.574	6.155	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460708	UINNLZXNWQGGQO-SLSDLSHTSA-N	414.936	6.443	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462188	WTDKQOWJOZIHJY-RSPLEMODSA-N	417.597	5.888	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14462295	KRQQTDFXAODMNO-FXSPECFOSA-N	415.581	5.595	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463405	KBOZJTZXWQSQNR-GLDPYIMESA-N	408.973	7.029	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473549	RAALRZNKXGBNIZ-VWKPWSFCSA-N	411.889	5.215	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	14477988	AFYWQWGRZIXZKP-IXFSTUDKSA-N	411.461	5.674	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14551963	VVCPNBKWZWUSGH-YZUZCNPQSA-N	418.606	6.298	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@H]2CC=C[C@@H]32)CC1	20698874	KJPIMBPWUYNIMQ-RWCIVJTCSA-N	422.572	6.538	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	20700924	NJUKCGDGRJZKFF-JFNLIGNMSA-N	408.929	5.075	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c1	33445538	IPQXKKYPNVLRDL-CXUHLZMHSA-N	420.353	5.177	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363531	OZLHEDSIVWQAMT-ZCYQVOJMSA-N	404.941	6.139	10	10	HKCE	
Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1ccc(F)cc1)c1ccc2cccnc2c1O	54621789	CPZFGFRJXNCMRA-NRFANRHFSA-N	403.413	5.498	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3O)C2)cc1	58083390	YZESUJWCQNNNMH-SIKLNZKXSA-N	412.942	5.647	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226795514	VSQHYMLQKOXISI-SLSDLSHTSA-N	416.565	5.926	10	10	HKCE	
CC[C@H](Nc1cc(Br)cnc1Cl)c1cc(Br)ccc1O	234057717	UEZSXPCTCQDQDA-NSHDSACASA-N	420.532	5.529	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860085679	SVWZMKHCHOLLSX-XSFVSMFZSA-N	411.592	6.177	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)c(Cl)cc3C(=O)O)cc2)cc1	1865859391	WOEWCEGJDQSMTN-UHFFFAOYSA-N	417.248	5.318	10	10	HKCE	
CCOCCCn1cc(OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870782628	ABWZHRSLZLVDHX-UHFFFAOYSA-N	421.541	5.029	10	10	HKCE	
Cc1ccc(O)c(Cn2nc(C3CCC3)c(C3CCC3)c2I)c1	2079702926	WCFGDVDHAGYRMN-UHFFFAOYSA-N	422.310	5.085	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080001207	FLFKCRKQZOCPHJ-IBGZPJMESA-N	418.965	5.723	10	10	HKCE	
Cc1ccc(CNc2ccc(Cl)c(I)c2Cl)c(O)c1	2139766252	SLZDNEKKOPREEU-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCCc1ccccc1	2297358599	ZXURRZCKJFZHBV-UHFFFAOYSA-N	412.489	5.123	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(Cl)c1C	2313681478	GCZBKRHPKLWGAB-UHFFFAOYSA-N	424.957	6.147	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc(C)cc(C)c3)C2=O)cc1	2313682867	MMGXUWUXIJBCPB-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
C[C@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314837720	VYYJAIMUGHROQF-OAHLLOKOSA-N	424.591	5.213	10	10	HKCE	
FC(F)(F)c1ccc(N=NN2CCN(CC=Cc3ccccc3)CC2)c(Cl)c1	2330186226	NCSSAJPNNBOBHK-UHFFFAOYSA-N	408.855	5.689	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13645217	KAEXFUMMHDOLAT-CLCZQPDDSA-N	423.560	5.856	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)s1)[C@@H]1CC=C[C@H]21)c1ccccc1	14456820	NQLYXFKOBCZFHO-ZJCBTPCYSA-N	414.574	6.550	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466797	XFTQZFOZWBOLQU-XLNZFTOWSA-N	423.988	5.238	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467771	SPLQGUPINNYVCE-GCKMJXCFSA-N	420.336	5.941	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@H]32)CC1	14475354	IOVNCCXTKRFCIV-DPZBCOQUSA-N	422.572	6.538	10	10	HKCE	
CN(C)c1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1	35509362	SFFZIJOHCPVVHN-UHFFFAOYSA-N	422.492	5.025	10	10	HKCE	
O=C(NC(=S)Nc1[nH]nc(C2CC2)c1N=Nc1ccccc1Cl)c1ccccc1	254391543	IKDYZUALXFTMHA-UHFFFAOYSA-N	424.917	5.483	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)c(F)c1	1860087432	WYFILENNXSMUKF-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCc2ccccc2)sc(C)c1-c1ccc(C)cc1	1860404065	YIYPLEZVQDESPK-UHFFFAOYSA-N	407.535	5.780	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2CC)cccc1OC	1865668798	PUJVVILVYAZKJI-NBVRZTHBSA-N	412.917	5.329	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1ccc(C)c(C)c1	1866095963	BXCFOSQNQAQIRZ-UHFFFAOYSA-N	414.914	5.428	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)/C=C/c3cccc(Br)c3)cc2)cc1	1866124628	POGCBSCLOUSBDM-YIXHJXPBSA-N	409.283	5.476	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2034820286	JYNMIUUDVXGXIU-ROUUACIJSA-N	403.408	6.171	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)cc1C	2080006808	RYJHICODTNTVBK-SFHVURJKSA-N	421.379	5.714	10	10	HKCE	
CC(=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1	2296882438	VESYBZBOZQQLQH-UHFFFAOYSA-N	413.873	6.155	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1cccc(F)c1	2313657281	KLORGFWOTMKFGT-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1	2321706160	TTYRNWWINVDIHA-UHFFFAOYSA-N	420.537	5.097	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323852695	RXYLVJCPSGOJCP-UHFFFAOYSA-N	407.963	5.649	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106939	XEXREXZHGCUINW-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Cl)ccc1O	2332107689	UOYUWEXWDIQXKE-UHFFFAOYSA-N	423.727	5.934	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O	1311611	ZAAAUNSWOYDONU-SZOBKTBESA-N	422.575	5.253	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462650	ZFIFPFVCBFKAHA-PPJWLVRDSA-N	408.545	6.889	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547041	PVGYDJNIFCCCTG-ZMPRRUGASA-N	415.364	6.350	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550377	KYZRZPJRPOAGSJ-YZUZCNPQSA-N	402.538	5.538	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)c1	14553583	YCYBMLGYIFPCPP-OHUGHZGNSA-N	414.936	6.727	10	10	HKCE	
CCCN1C(=O)/C(=C/C=C2/Sc3c(ccc4c3CCCC4)N2CC)SC1=S	17281815	PZGHEIYOCYMTCE-MJZABRMRSA-N	416.637	5.493	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C\c1cccc([N+](=O)[O-])c1	33618678	QYKWJXMHDGWAIF-NUPSIHCRSA-N	402.237	5.264	10	10	HKCE	
O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)SC(=S)N1c1cccc(Cl)c1	33921695	MAGQNGROLUFUQH-ACAGNQJTSA-N	416.738	5.758	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	226716284	CFULCRHVMYOVCX-ZRCGQRJVSA-N	406.957	6.229	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	250648293	WARLQDDPAIVKEA-DNVFCKCGSA-N	422.575	5.400	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526180199	HPVGGBUXXCONQA-OAQYLSRUSA-N	424.953	5.833	10	10	HKCE	
Cc1cc(Br)c(O)c(N=Nc2ccc(I)cc2)c1	1084090557	UQHUWCQZLFOJLG-UHFFFAOYSA-N	417.044	5.483	10	10	HKCE	
Clc1ccc(N=Nc2nc3scc(-c4ccccc4)n3c2-c2ccccc2)cc1	1088686086	MTVDUDZGGPZDPR-UHFFFAOYSA-N	414.921	7.799	10	10	HKCE	
Cc1ccc(/C=C/C(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1	1859889103	LVKVYJJZXVBVOD-FOCLMDBBSA-N	409.485	5.225	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	1860075372	QUUQCKZLMDQHFH-REZTVBANSA-N	424.374	6.186	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865658541	KHIFZUNSPYSWQI-QGOAFFKASA-N	415.364	6.877	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OC	1865670981	CPCUJSGOGWRJFI-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1-c1ccccc1	1865956162	TZFFMASMZXRGMA-UHFFFAOYSA-N	401.487	5.916	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cccc(Br)c2O)c1	1925132303	MZRBKORNJZWSCF-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CN(C)c1ccc([C@@H](O)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)cc1	2163075694	HDXSXNAGYVKFJP-GOSISDBHSA-N	411.329	5.488	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1	2212702310	UVRFWVBXJLEQCP-HSZRJFAPSA-N	401.598	5.414	10	10	HKCE	
CC(Nc1ccc(C)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2293228290	MVMYUMHYRYIKAZ-UHFFFAOYSA-N	416.428	5.256	10	10	HKCE	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccccc1	5773439	BUXFBFWFVLUPAB-JCMHNJIXSA-N	417.555	5.667	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13635914	BERUHYLDXGWTBR-NLJOTIRTSA-N	413.517	5.980	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639135	NGMCIMBNEOGSOY-QTEQDKRBSA-N	412.371	6.701	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463115	GHLKUJPNEOUJII-HWBMXIPRSA-N	415.581	5.024	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14465391	IVOTVVCALWYQOV-ZEVJAHDQSA-N	417.936	6.624	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468005	APSFNPYPWDBLJJ-PDSXEYIOSA-N	417.336	6.264	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	14469673	CUGCSBMTGUAMIL-DRLORSAXSA-N	413.517	6.109	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2)c1ccccc1	14546446	ZITVMAIPGGQKOB-VHFRWLAGSA-N	424.544	6.188	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Cl)c(Cl)c2)c2cccs2)ccc2cccnc12	54621830	XQTPFLUOTVXCHL-IBGZPJMESA-N	401.318	6.510	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226716512	FVIZUQMJBXIGFP-PQNGQFLHSA-N	408.973	6.429	10	10	HKCE	
Oc1ccc(Br)cc1CNc1cc(Cl)c(Br)cc1F	703819668	QVDVEPLQOHMYQA-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1	1860086185	PCABBZKMWNKYAV-VCHYOVAHSA-N	421.946	5.920	10	10	HKCE	
Cc1ccc(O)c(CNCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1	1860720579	JHXKWCIXGVMMPD-UHFFFAOYSA-N	417.534	5.014	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3Oc3ccccc3)c2C)cc1	1874142433	ICQJJHXDXBKYDF-UHFFFAOYSA-N	412.489	6.147	10	10	HKCE	
COCC(C)(C)N(Cc1ccccc1)c1ccc(CNC(C)C)cc1Br	1915496058	LDVXHYXQGIZBNX-UHFFFAOYSA-N	419.407	5.379	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CO)c2Br)C(C)(C)C)cc1C	2079999062	GPMVKRPFARVSAI-GOSISDBHSA-N	421.379	5.147	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C=O)c2Br)C2(C)CC2)cc1C	2080003117	IKMRGBDHNZSIHX-GOSISDBHSA-N	417.347	5.222	10	10	HKCE	
CC[C@H](NCCc1csc(Br)c1)c1cc(Br)ccc1O	2185158540	IWGZGAJYOSFDQG-ZDUSSCGKSA-N	419.182	5.262	10	10	HKCE	
CC(=Cc1cc(Cl)ccc1O)C=C1SC(=S)N(Cc2ccccc2)C1=O	2293452777	BXWTZAIDGCXROD-UHFFFAOYSA-N	401.940	5.393	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3SC(=S)N(Cc4ccccc4)C3=O)c2C)cc1	2297305906	ABCPWQRXKVXOLH-UHFFFAOYSA-N	418.587	5.804	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1c(Cl)cc(Cl)cc1Cl	2297512425	JLNNVSMHFDADES-UHFFFAOYSA-N	415.107	6.019	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)c(F)c1	2297565257	WDGJWSTYQRZGBB-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2C)SC1=S	2314433914	XGKSSEYEUKNGGE-JKSUJKDBSA-N	401.597	5.812	10	10	HKCE	
CN1N=C(c2ccccc2)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O	2332131412	PHMOXWVXICNMHV-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCOc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(OCC)cc3)C2)cc1	5737037	WSKIMPHQCOGFJJ-SANMLTNESA-N	400.522	6.336	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2Cc2cccc3ccccc23)cc1	6418117	CRQDOUGFHCAIBM-UHFFFAOYSA-N	411.549	5.610	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14471970	UIFDJJSMJVRYOT-MIZPHKNDSA-N	417.509	5.438	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476586	KZLTYUJLQWPSEB-DYLHXGEVSA-N	401.937	7.054	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)cc1	59862260	SVUGDEOUGRGMNT-LTGZKZEYSA-N	414.461	5.525	10	10	HKCE	
CCCCOc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1OC	208357494	FCTWTVCIOFCKRZ-KGENOOAVSA-N	410.539	5.573	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1Cl	226846866	RKWOZBBYYWGFQF-NXMSCROESA-N	422.355	7.399	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(Cc4ccccn4)n3)cc2)cc1	1857850611	UROFVAXZSTWSAZ-UHFFFAOYSA-N	403.576	5.812	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(C)C)c(Br)c1	2034697617	PIPXLRKGOFJTIU-UHFFFAOYSA-N	403.408	5.857	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080023741	ZFXUMFKCNJAQSQ-IBGZPJMESA-N	420.981	5.969	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)c1	2296020944	LSGICXVKWKNVSI-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1Cl	2321664206	CQVMOHAXIBDRID-UHFFFAOYSA-N	424.330	5.170	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(Br)c1	2332097951	IRJWPOJWMPJPEY-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116348	DTOPGVFXUJDNDH-UHFFFAOYSA-N	410.517	5.766	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1	2332116763	WYXPJNGCLKSOTQ-UHFFFAOYSA-N	404.554	6.146	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	1800235	PNNXWVQLNJZQRV-VHDJGTGISA-N	405.466	6.058	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644346	BIMJGLSEOIPKNV-SGIRGMQISA-N	415.581	5.595	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469713	IHWDJQXAOWMCJY-SKPFHBQLSA-N	416.452	6.139	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548073	JKTPUXYIGQQANP-KNOQFWTLSA-N	412.533	5.900	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548280	DJYRCIUWDUDGAU-PBDKAQRYSA-N	412.533	6.357	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	27527769	VKGLRLFNHCTGGQ-UNOMPAQXSA-N	406.825	5.104	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cccc21	60138792	HNSXRUFBFGLPDB-UHFFFAOYSA-N	413.216	5.421	10	10	HKCE	
Cc1ccc([C@](Br)(c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1	105418842	UVOGGALQXAIKKJ-HSZRJFAPSA-N	405.291	5.329	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226683782	VAWGEPIEFCXNIV-VAXXYWNWSA-N	400.547	5.813	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@@H]21	226862850	LXZOGCBXZHXHNK-YZIHRLCOSA-N	416.565	5.784	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385435130	MVHINVGGOADESD-IRXDYDNUSA-N	401.392	5.925	10	10	HKCE	
CC[C@H](N[C@@H](CN(C)Cc1ccccc1)C(C)C)c1cc(Br)ccc1O	398017084	HSCMJIDXVFBPRD-SFTDATJTSA-N	419.407	5.352	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccccc1Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917116	KXZFUSXKPJKQBN-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(F)cc1	1860074664	BCYBCNSDJRCDTM-RIYZIHGNSA-N	412.280	5.133	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1	1860074894	YABGVRRKLRKWLY-XDHOZWIPSA-N	400.544	5.073	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cc1	1860086040	GIKOROMDPINFNK-GIJQJNRQSA-N	405.491	5.405	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(C)(C)C)c2)sc(C)c1-c1ccc(C)cc1	1866197126	GPEWBHIMTIFOMT-UHFFFAOYSA-N	421.562	6.368	10	10	HKCE	
Cc1cc(C)c2oc(=O)c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(C)c2c1	1866297272	ADYLRMDBDZOTNT-UHFFFAOYSA-N	412.489	5.144	10	10	HKCE	
COc1ccc(-c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1	1892116468	RMBQLEFSMLSLHY-UHFFFAOYSA-N	422.531	5.287	10	10	HKCE	
COc1ccc(Br)c(CNc2cccc(Br)c2Cl)c1O	2236051915	ZFWNJPUMUIISSK-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1Br	2297459918	XKOXGOMLRVOQFF-UHFFFAOYSA-N	419.706	5.226	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1	2313681967	RRPGJZGPJFAEMN-UHFFFAOYSA-N	405.241	5.010	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1cc(Cl)ccc1Cl	2321647032	RHCCQEJFFDGKMD-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1	2323882378	SYFJGNPZPIVUBW-HXUWFJFHSA-N	408.592	5.033	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F	2332133858	KENWDIGAJIRCMG-UHFFFAOYSA-N	422.834	5.471	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639345	RTSHHLUEGYSHRG-OPYAIIAOSA-N	411.343	5.870	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460710	UINNLZXNWQGGQO-RQTOMXEWSA-N	414.936	6.443	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14472608	MFAJCBXGTNEBHS-YDIMBITNSA-N	417.896	6.818	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546176	JUGXVSPUJCHINS-WOVHNISZSA-N	424.544	5.794	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	20696356	NYLITMLDNUZGDG-ZOCZFRKYSA-N	414.343	6.160	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(N(C)C)cc2)c1	526251455	SWVDFBMCWZNUKU-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1ccccc1Cl	1865666711	TYOOHOVSCGMSGN-FLIBITNWSA-N	401.171	5.048	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccccc2OC)cc1	1865679515	QVMGLTTYHKPEOC-XDJHFCHBSA-N	418.880	5.192	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642847	KKKSFOMOQUNHGM-IXQRDTAUSA-N	422.572	7.430	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	13644938	ZDTFYNCHGUVAFX-STSQHVNTSA-N	409.961	5.971	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466694	GCEGGVGBEWRVRS-AXHZCLLHSA-N	408.973	6.429	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468344	DFKWPEHUBLAELQ-ZSDSOXJFSA-N	404.293	5.754	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14550057	JNBAAVGOJHPOBJ-KHVXQDHOSA-N	412.508	6.224	10	10	HKCE	
CC(/C=C1\SC(=S)N(Nc2nc3ccccc3s2)C1=O)=C\c1ccccc1	14904676	VSLIUCVRDUAFAI-YMGXUNRSSA-N	409.561	5.471	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)c1	58929065	GNJQTNSUXBTVGQ-RLFDGXBXSA-N	406.225	5.636	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CNc1cccc(F)c1	59382275	YNKACNNIPWSVHC-VGOFMYFVSA-N	413.326	5.403	10	10	HKCE	
CC(C)=CCC/C(C)=C\Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	114827459	XCYSQFHYFNWYFP-FNYDLVFWSA-N	424.493	5.451	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	226699377	GLPWBXPUIHANJW-IMWIBFENSA-N	414.936	6.097	10	10	HKCE	
Cc1cc(Br)ccc1NC(=S)N(c1ccccc1)c1ccc(N)cc1	243897621	RRZRRHHILOXZDL-UHFFFAOYSA-N	412.356	5.875	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1[C@@H](O)CC(C)(C)C2	256018774	KDMYZKQECBWMCT-IBGZPJMESA-N	403.482	6.262	10	10	HKCE	
CC(C)[C@@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	256018804	UWINOIRLQDHVIM-JOCHJYFZSA-N	402.454	6.389	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)ccc1O	1865649921	LTKBEACRTMKUNR-OQLLNIDSSA-N	419.308	5.290	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCC)cc1	1865669879	WVWYOQXSUPWICI-SFQUDFHCSA-N	403.309	5.978	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1CCC	1865674379	CEELOSOXGXUPOL-GHRIWEEISA-N	417.336	6.369	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	1865678298	DSOCIZVETNQXJP-UYRXBGFRSA-N	407.300	6.136	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc([C@@H](C)N)c(Br)c1	1915364029	CMGBAWVMWSOVRG-CVEARBPZSA-N	415.400	6.298	10	10	HKCE	
CC(C)(C)c1nn(Cc2cc(Cl)ccc2O)c(Br)c1C(F)(F)F	2079691039	OKKLPJURZLPQDZ-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1	2297578558	VKJFCPSTLURVOL-UHFFFAOYSA-N	419.369	5.028	10	10	HKCE	
COc1ccccc1CN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2318684003	MEGWLCSBUFMVCH-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)C(=Cc2cccc(OCc3ccccc3)c2)C1=O	2332141021	BTFACMADVNBMIH-UHFFFAOYSA-N	410.517	5.552	10	10	HKCE	
O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12	2983069	KYHWAJDRIFUGEZ-RUZDIDTESA-N	417.892	5.483	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	4078333	YHWYGILACMCKTA-CKJXQJPGSA-N	413.348	6.056	10	10	HKCE	
CCCCCC[C@]1(C)N=C(c2ccc(OC)cc2)C[C@@H](c2cccc(OC)c2O)N1	4729882	FOKFXNMEZZGZLA-WIOPSUGQSA-N	410.558	5.620	10	10	HKCE	
O=[N+]([O-])c1cc(Cl)cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	6220457	DSZJWVMVPRZSCN-KEYYUXOJSA-N	405.679	5.837	10	10	HKCE	
Cc1cc(OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1Br	14004168	HBCARRPPIRMKJR-OCOZRVBESA-N	424.298	6.190	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)cc1	14458575	XJMAPEDFWHMHSD-ZEVJAHDQSA-N	408.545	6.691	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479456	FUEMGJOFIVSWES-PNLZDCPESA-N	406.526	5.059	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548235	FCLITVTXDGRTIV-NYUJMHJJSA-N	412.533	5.902	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14550972	PQGZXNAYVHCZBG-ZEVJAHDQSA-N	412.489	6.043	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2c(Br)cc(C)cc2Br)c1	20487299	LDHJIMYTWVVZQQ-SNVBAGLBSA-N	415.125	5.407	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CN1CCCCCC1	59379229	SPVIAEFLINEPOD-XNTDXEJSSA-N	401.384	5.028	10	10	HKCE	
COc1ccc(C2=C/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1	59425901	SLYOCRODQGOODQ-UVTDQMKNSA-N	413.256	6.243	10	10	HKCE	
O=C(O)c1ccc(-c2cccc(/N=N/c3cccc(-c4ccc(C(=O)O)cc4)c3)c2)cc1	84403406	BEZZMWYBXYWHOV-BYYHNAKLSA-N	422.440	6.832	10	10	HKCE	
CC1=NNC(=O)/C1=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1	105913265	ZTCJDYGANOWPFG-XQNSMLJCSA-N	404.473	5.095	10	10	HKCE	
Nc1ccc(N(C(=O)CCc2cc3c(cn2)[nH]c2ccccc23)c2ccccc2)cc1	170260991	SIWKJDXQTCQHFS-UHFFFAOYSA-N	406.489	5.596	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226685343	HUGTUZHZAMYDRO-HOSCZWGSSA-N	424.610	5.515	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226696071	GHIACCWAIFJZRK-ONBPZOJHSA-N	424.544	5.794	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@@H]2C=CC[C@@H]21	226786065	DHSPUWPZKWYDLP-UMTXDNHDSA-N	424.544	6.473	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900454	UMMMYUUJAWCKLE-MIHVYDCKSA-N	421.540	6.845	10	10	HKCE	
C[C@](CCCCCN=[N+]=[N-])(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	1082181906	BWVPGUOCGNKSNC-QHCPKHFHSA-N	407.470	5.304	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1C1CCCCCCCCCCC1	1858586358	BKWUSOLSIAEUQR-CAPFRKAQSA-N	403.613	6.267	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OC	1858590444	QOOIECOSHGMSDL-QGOAFFKASA-N	421.628	5.900	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1860073589	VZPJVRLRGFKATO-MHWRWJLKSA-N	422.344	5.556	10	10	HKCE	
CN(C)c1ccc(CNCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1	1860707981	BHLGORJNCZJTFQ-UHFFFAOYSA-N	423.944	5.317	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865656845	VICWHJIMLXEZOF-ZHZULCJRSA-N	407.300	5.824	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	1865673173	VBQYJFWFWKVGQX-UYRXBGFRSA-N	419.422	5.016	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1csc(NC(=O)OC(C)(C)C)n1	2114314871	MMVSWRNEQSIQRC-VIFPVBQESA-N	418.346	5.353	10	10	HKCE	
Cn1cc(C=C2C(=O)N(CN3CCCCCC3)c3cc(Cl)ccc32)c2ccccc21	2297471727	CGNURARBAHRMDM-UHFFFAOYSA-N	419.956	5.552	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332097997	MLHGZMKXJFRXLP-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099375	OPCLUDCVGQQNDS-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)C)cc1	2332104207	RCARMZKTYOFSJN-UHFFFAOYSA-N	415.364	6.699	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	14460998	AWBPOTGKIJPWQK-RVPKQNPDSA-N	411.126	6.288	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468589	AJYVDNBOQVBNSS-AVYPCKFXSA-N	414.299	5.210	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543867	MKIBXXVFAGCGEE-CLCZQPDDSA-N	424.544	6.188	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549442	BUSPBABKZPLKME-HUHCTVHWSA-N	419.568	7.997	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695169	GRXHDDHWKZGHIV-JZJXAQOMSA-N	408.929	5.075	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@H]32)c1	20716618	JOOXCKVNWFHVAA-PLXFJCCSSA-N	408.545	6.691	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	33341788	JJXIWAXFVWSYMY-BKUYFWCQSA-N	401.422	5.278	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226686081	QXQNEPALSHPYQS-GGUMNFRJSA-N	408.973	6.830	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2)c1ccccc1	226720222	UINNLZXNWQGGQO-TZBSWOFLSA-N	414.936	6.443	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	251021803	OJRUYBBPTKVAIB-AZSVPQILSA-N	414.593	6.310	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590943	PXBPALGVVHYROV-UBKPWBPPSA-N	424.418	6.163	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	1860085815	LHTOWWCWVMYRLX-XDHOZWIPSA-N	416.999	5.588	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1OCC	1860086688	ARIJKQXJBNMQJC-WOJGMQOQSA-N	419.955	5.543	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1	1865658941	VZXTVZMZDVVGTH-MOHJPFBDSA-N	410.517	5.827	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1	1865664882	POVNRBQBGAQNLN-JYRVWZFOSA-N	415.198	5.351	10	10	HKCE	
Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1	1873424125	LYFFXFRSUYOYSY-UHFFFAOYSA-N	413.521	5.003	10	10	HKCE	
Cc1c([C@@H](C)N)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901885484	WESDWIIDYIDANN-HSZRJFAPSA-N	401.598	5.462	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(Br)c1	1915409813	HPMVZUHQDCUYMR-QZTJIDSGSA-N	419.407	5.287	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2034813960	LBGCMJIEPMUWEP-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
CCN1C(=O)C(=CC=C2Sc3c(ccc4c3CCCC4)N2CC)SC1=S	2297311035	MVFLTUKQKKGAFF-UHFFFAOYSA-N	402.610	5.103	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1	2321734509	QCZYIMIPGSVKMW-UHFFFAOYSA-N	424.591	5.052	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(C3CCCCCCC3)C1=O)cn2C	2323733068	XANLDHAFFPSFFS-UHFFFAOYSA-N	414.596	5.501	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=S	2323852170	MYKKUNARYVEOTJ-SFHVURJKSA-N	404.645	6.093	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(N(C)C)cc3)C2=O)c1	2332096513	QFXXXNOYYKBSMX-UHFFFAOYSA-N	409.533	5.200	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456750	WJYWLUYGTGOBNB-ZJCBTPCYSA-N	403.547	6.341	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468936	QFJTUWSYRVNWSM-SWYRRKHMSA-N	421.537	5.872	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697480	GWNSDYSVCXAXDG-JTKRFKOTSA-N	418.581	5.917	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764042	ASYANBUBEYKZPT-NZQKXSOJSA-N	410.876	5.416	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226693585	HNPYTMDTJWBPBF-DRSNIGMVSA-N	414.889	5.490	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2cc(Br)cs2)cc1Br	300513763	GDPQLOWCQXWQAD-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)c1	526326106	KYXOPXDUQRGALS-VWLOTQADSA-N	423.468	5.617	10	10	HKCE	
Oc1c(Br)cc(Br)cc1N=Nc1ccc(Cl)c(Cl)c1	1083901986	AJGBQKTUSJJZAF-UHFFFAOYSA-N	424.907	6.639	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588754	YCBOPIZPQSARPS-LVJMXRKSSA-N	401.597	5.501	10	10	HKCE	
CC(C)N(C(=O)c1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O	1859889192	UZZYFSBSYVKSFI-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccccc2C(C)C)C1=O	1860086407	FSLKXPZESPYHLI-RQZCQDPDSA-N	413.593	5.542	10	10	HKCE	
CCN(CC)c1ccc(CNCC(=O)Nc2ccccc2Oc2ccccc2)cc1	1860717199	ZUBCQCLFQBSVEL-UHFFFAOYSA-N	403.526	5.053	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cccc(OC)c1OC	1865672591	GYTRJIVCFKTCDZ-NTCAYCPXSA-N	416.880	5.078	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678711	AIGKXVBCVMNCBF-GXDHUFHOSA-N	410.798	5.690	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678869	ISIKMOATYGYSMG-FYJGNVAPSA-N	406.844	5.322	10	10	HKCE	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	1891930879	YVSLHZOMSCETRC-UHFFFAOYSA-N	413.351	5.480	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)c(Br)c1	1915275187	ZGQYSMPELKWDCL-JTSKRJEESA-N	419.407	5.143	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079014288	ZAYQPXCSBYLMLM-MRXNPFEDSA-N	421.335	5.045	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc5ccccc45)c3C)C(=N)N12	2297470615	WJRZRJKHTMZSJR-UHFFFAOYSA-N	412.518	5.414	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321607257	CUQGYXVLAQBUHY-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O	2323681366	RKRKWMOEMVYHLD-QPSCCSFWSA-N	417.625	5.039	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3c(F)cccc3Cl)C2=O)c1	2332104224	SMVBPNOVVFCPGZ-UHFFFAOYSA-N	410.798	5.440	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1ccccc1Cl	2332107645	QJOKLYVTHKLHGG-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OC	2332124300	NPIGUNGVXFPXSF-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	2332139612	ZLBUZFWYTKLVNL-UHFFFAOYSA-N	418.899	5.872	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640679	OWFLNCQFUNDERZ-AUSJPIAWSA-N	416.315	5.301	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463006	YQDFOYVXWRIPGC-IMSXRSKXSA-N	410.583	5.325	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463602	UDZAJXPAWKIMIR-DPZBCOQUSA-N	408.545	6.889	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464651	KLOMCKYIGYKTAZ-SAHYYXHWSA-N	424.544	5.575	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475085	HOCBMEPQQOSMRS-DPZBCOQUSA-N	416.524	6.919	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1	14550044	FTUYWBVCPDSSIG-ZEVJAHDQSA-N	412.508	6.319	10	10	HKCE	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl	27501237	GJIZECYHRGKBFW-AQTBWJFISA-N	420.852	5.193	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	59397147	HYTMTDDTCQRRMA-LKKYZFDUSA-N	400.491	5.176	10	10	HKCE	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2c(C)cccc2C)C1=O	96640253	SLMJYJGUTGWTRC-GZTJUZNOSA-N	403.956	5.761	10	10	HKCE	
CN(C)c1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)Nc2ccc3ccccc3c2)cc1	209361925	VWXDKSBWTZYFJT-KQWNVCNZSA-N	415.537	5.048	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	226808684	SWXCUWASWHVZJF-DXBVXKBHSA-N	413.517	5.980	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250644024	IHWDJQXAOWMCJY-REHUZNOOSA-N	416.452	6.139	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1C	526221595	IZUYRKQFWKQOHL-JOCHJYFZSA-N	404.535	5.488	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	1084020835	MZHILFPGSXIQCB-XSFVSMFZSA-N	422.962	6.489	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664639	ICKYWZYQOZZNDE-LFIBNONCSA-N	407.728	6.229	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665912	SMBGGLHVLSVZAA-LICLKQGHSA-N	407.728	6.229	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O	1865671719	AMACGMIJKMPWRE-SDNWHVSQSA-N	419.706	5.394	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	1865680617	QABMVOLLTSFVST-ZROIWOOFSA-N	413.226	5.646	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](O)CC)cc1Br	1915396311	BJUZRUJDGMPRER-XLIONFOSSA-N	419.407	5.287	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2223535841	SZDNHTBXIJAGQQ-OAHLLOKOSA-N	411.334	5.609	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CC)cc1Br	2223538836	FZNFSMZZGWGSAX-QZTJIDSGSA-N	403.408	6.142	10	10	HKCE	
CCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S	2296673563	UJEXIJUHABEMGO-UHFFFAOYSA-N	413.564	5.276	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	2321647901	ZMCVCWKEGXHXPY-UHFFFAOYSA-N	411.592	6.179	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC	2321698380	YZOIWYHZGQKQBT-UHFFFAOYSA-N	421.543	5.653	10	10	HKCE	
C(=Cc1ccccc1)CN1CCN(N=Nc2ccc(OCc3ccccc3)cc2)CC1	2330221737	CPNWJBQOSXONKK-UHFFFAOYSA-N	412.537	5.595	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccc(Br)c1	2332098193	YPRFICNJQAGVCD-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14461940	JYQWBBDKMKIPBC-AWRGLXIESA-N	403.570	5.499	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473121	BFKIUSOJABUHBV-IUSZMWJPSA-N	411.889	5.213	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477711	BMDDTCIDAIGVJM-SCYDXJQRSA-N	416.348	6.378	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226683826	PIKZTWIMMQDJBD-SLSDLSHTSA-N	422.594	5.386	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226685926	BIMJGLSEOIPKNV-SLSDLSHTSA-N	415.581	5.595	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226869596	LMZZFNIEIQKSLT-DPLHUUCSSA-N	402.538	5.538	10	10	HKCE	
CC[C@H](NC[C@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1O	379656498	PIKWCXTZCKTHLU-CTNGQTDRSA-N	417.391	5.250	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(Br)cc1	1860084847	QUGXLTCWHJEBBM-RIYZIHGNSA-N	412.280	5.133	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c1	1865670166	LUJBQWQWAZRVMX-BOPFTXTBSA-N	408.807	5.083	10	10	HKCE	
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891704804	YYUXDIQKSQWJDC-NVQXNPDNSA-N	410.561	5.514	10	10	HKCE	
CC(C)(C)OC(=O)N(CCC[C@H](O)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1999521582	OLFDVEKNBPHVCH-DEOSSOPVSA-N	424.585	5.538	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231454665	QADBTYHDUIJUIV-GOSISDBHSA-N	415.419	6.142	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1Br	2231480472	KUICDSXCJXYGTO-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
CC(Nc1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2313682605	HBYPJXKTSJWSHJ-UHFFFAOYSA-N	410.502	5.433	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc1	2332117419	DWFOAXQJLGCFKW-UHFFFAOYSA-N	420.553	5.550	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332129436	BNKAHLVBFYLZDC-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
Cc1ccc(CNc2sc(C)c(C)c2Br)c(O)c1Br	2352641078	PQEBBKGLFLPFEC-UHFFFAOYSA-N	405.155	5.516	10	10	HKCE	
CC(C)(C)OC(=O)Nc1nc2cc(NCc3ccc(Cl)cc3O)ccc2s1	2382174686	SWHIUUCNEJMFLH-UHFFFAOYSA-N	405.907	5.614	10	10	HKCE	
CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)NCc3ccco3)c2C)cc1	4589540	SANZLHHPDUYXMU-UHFFFAOYSA-N	400.478	5.374	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)cc1Cl	5825907	YLKQGRIBGHJRND-NTEUORMPSA-N	406.240	5.010	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640772	OAICMBVHVXZLMP-MNVSYLFESA-N	406.309	5.846	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476588	KZLTYUJLQWPSEB-UNVFRBQDSA-N	401.937	7.054	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@H]32)cc1OC	14479666	CKGMQPKEYKULEC-RRQZXNHTSA-N	406.526	5.515	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548709	FOXUOLUOBSOVLU-IXQHNQIXSA-N	400.547	6.066	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	14552371	UWPLZTLOVSSOLQ-OASJLCFRSA-N	423.560	6.140	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cc(OC)c(Cl)cc1OC	17089722	VFGWNMKSJFMDSD-KGENOOAVSA-N	413.905	5.246	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21	20701191	QXCVRUAVKUWNMQ-CZIZLABSSA-N	401.120	6.832	10	10	HKCE	
COc1ccc(NC2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)c(OC)c1	39870301	CSGRRHDZZLEUBJ-SXGWCWSVSA-N	409.294	5.093	10	10	HKCE	
Cc1ccc(C)n1-c1ccc(Cn2c(C(=O)O)c(-c3ccccc3)c3ccccc32)cc1	136535038	ISQFWVZIZILOKA-UHFFFAOYSA-N	420.512	6.462	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226649639	WQPJXDLVIKOYNY-WOIUINJBSA-N	414.343	5.691	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226852451	DPABWWOQBXTGAH-IECBHUPTSA-N	416.392	7.779	10	10	HKCE	
CC[C@H](Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1O	382438532	OGXUEHCBSOROSZ-NRFANRHFSA-N	412.327	6.297	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OCC	1858589977	SDHISBGVBDAQCR-MVFIOSLMSA-N	419.612	5.654	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1	1860076463	AUQKXQFQZMHEHU-XSFVSMFZSA-N	411.548	5.206	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	1860086164	NTHFIINWKTXAAJ-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664891	QNVFTTNMICRGPO-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678990	OJFUQBSRYYXWRK-XMHGGMMESA-N	406.844	5.322	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)O)c(Br)c1	1915409346	ASBUZAZDLWDEFQ-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	2297470658	JGKCOUAGXWTGKC-UHFFFAOYSA-N	412.518	5.414	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)cc1	2313510414	DOWHSSWYWLICMY-UHFFFAOYSA-N	411.545	6.681	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(F)cc2)sc(C)c1-c1ccc(F)cc1	2314760455	KFGNMWHXOUXWJB-UHFFFAOYSA-N	413.445	5.440	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c(OC)c1	2321647222	GGXATNLMPLNYTP-UHFFFAOYSA-N	413.564	5.407	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1	2332139430	GQZLZIJJAUQBBV-UHFFFAOYSA-N	412.489	5.101	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@@H]21	14460751	APASFXXOOIHGDT-NVGCLXPQSA-N	411.126	6.288	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477153	RTCCFFTZQVHXFV-SEPYTNNBSA-N	402.365	7.245	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546991	ZGZJVHJPEBHQBX-VWLHBSKXSA-N	417.336	5.196	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695063	CFULCRHVMYOVCX-TXTKFYIRSA-N	406.957	6.229	10	10	HKCE	
CCn1c(/C=C\c2c(C)n(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O	33897123	PIHGQGUQAUVODK-ZCXUNETKSA-N	419.528	5.898	10	10	HKCE	
COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1	53363491	WZROKTLVDKWJCX-GGAORHGYSA-N	420.896	5.055	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226637634	LYKAPODVLXHMMH-LVCYWYKZSA-N	400.316	5.301	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226705798	IYBANCMXTKUADX-DXBVXKBHSA-N	414.593	6.653	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cccc(Br)c1O	389915230	REFJMXKFVXUZCC-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	586479960	HLMLLTWRTUQCCR-ZWWNWMABSA-N	405.494	5.471	10	10	HKCE	
O=C(CCc1ccccc1Cl)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1083995764	OAVUPRNVXUXWCW-UHFFFAOYSA-N	422.941	6.201	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(C)c2)C1=O	1860087285	MXQSHCIAVFKHSS-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
CC1(c2nn(Cc3cc(Cl)ccc3O)c(Br)c2C(F)(F)F)CC1	2079827409	NLGUJMDXXXVTCP-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
Clc1ccc(COc2ccc(Br)cc2/N=N/c2ccccc2)cc1	2295356287	ZKYRQYUOSPPVJQ-GHVJWSGMSA-N	401.691	7.097	10	10	HKCE	
O=C1C(=Cc2c3ccccc3cc3ccccc23)SC(=S)N1C1CCCCC1	2313513884	CAMQXNRJIKBBEO-UHFFFAOYSA-N	403.572	6.527	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)cc1	2313608991	CLZHNAXVCGHTLB-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104758	ODMVECKVBNGEFR-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OC	2332125686	CPCUJSGOGWRJFI-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cccc(C)c2)cc1	2332141312	SEIZITHUQUCEIC-UHFFFAOYSA-N	410.517	5.451	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	9833607	QHMGZHAVBAQNRN-IUUKEHGRSA-N	419.264	5.515	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640659	QROANNOMOQOTJM-IECBHUPTSA-N	408.542	5.385	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Oc2ccccc2)cc1	17082173	VJRZVBWNJVKFQY-XQNSMLJCSA-N	401.441	5.727	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(N(C)C)cc2)[C@@H]2CC=C[C@@H]32)CC1	20686680	ABMUIXYJEWYBFJ-TZBSWOFLSA-N	415.581	5.451	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691506	IKASJYSGVVVSLA-VBANMALSSA-N	414.593	6.455	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753389	VGQJBVWXILRRLL-RNHFSVANSA-N	408.457	6.433	10	10	HKCE	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1	20763493	RUVSDLFTMKWXDI-OXQOHEQNSA-N	413.340	5.439	10	10	HKCE	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(F)cc1	83293106	VVAZAAFWRKOEOH-UNOMPAQXSA-N	417.527	5.025	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2	226807773	OYMPAJUXQZXRTP-FHAGJXEFSA-N	412.489	5.485	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	226862826	SULXPSXJUCVIIB-VVBPWWLESA-N	413.348	6.056	10	10	HKCE	
O=S(=O)(c1ccc(N=Nc2cc(Cl)cc(Cl)c2O)cc1)N1CCCCC1	1084521182	JHYYFKPCAPHHDM-UHFFFAOYSA-N	414.314	5.289	10	10	HKCE	
COc1ccccc1-c1nc(-c2ccc(CSCc3ccc(N)cc3)cc2)cs1	1857850582	TUKMTTDDXFAPJE-UHFFFAOYSA-N	418.587	6.501	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)cc1	1860076580	LZAFMAPWHYWWFH-LDADJPATSA-N	415.511	5.107	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Br)ccc1F	1865673821	YSRCGMFNWIHOIZ-QGOAFFKASA-N	423.285	5.938	10	10	HKCE	
Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1	1892066399	GWIPZAQYFRWEER-UHFFFAOYSA-N	412.492	5.305	10	10	HKCE	
C[C@H](N)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1990438773	DMQAGODFGFAIAM-IBGZPJMESA-N	409.524	5.123	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079006399	YOFGZKSFOFLTRX-QGZVFWFLSA-N	421.335	5.261	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)c(Br)c1	2095867642	DDDILEMZXZWWKL-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
CCNCc1ccc(N(C)Cc2ccc(Br)s2)cc1Br	2156992694	CRJIZOAQZLRDBR-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1	2321606826	GACXVKIMHAUIMX-UHFFFAOYSA-N	400.544	5.073	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(OC(F)(F)F)cc1	2321734269	PFFRBTHVVSLFSS-UHFFFAOYSA-N	415.845	5.644	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1C1CCCCC1	2323723913	GTUUUIIEXQURIL-UHFFFAOYSA-N	400.338	5.122	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OCC	2332106619	MYJGBBLTYUJQHO-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132679	ZRGQZRIBRFDERR-UHFFFAOYSA-N	403.869	5.120	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14461802	BTNZLFHZXGZHQP-WRALFONMSA-N	415.581	5.595	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl	14470601	MVEJBPSSGLTRFL-IECBHUPTSA-N	417.896	6.818	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476408	NUTSASCGJZGAEB-UNVFRBQDSA-N	412.489	6.309	10	10	HKCE	
C1=C[C@H]2c3cc(OCCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545033	LRHUKMGCRLVUCM-VNZAXJPBSA-N	420.556	7.006	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546969	RMIIIRIHOODEPM-MIAKESKMSA-N	422.355	7.399	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1	36348464	KTXKBEDDQCRAMV-JOCHJYFZSA-N	411.889	5.059	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1	54619282	QRNLRPMFZUORET-HSZRJFAPSA-N	412.489	5.627	10	10	HKCE	
Cc1ccc(C2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1	98021249	NFPBHSWPWBZSOA-UDWIEESQSA-N	404.447	5.533	10	10	HKCE	
C[C@](CCCCCCN=[N+]=[N-])(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21	1082190604	JNLGFBYLOBOGQH-DEOSSOPVSA-N	421.497	5.694	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588779	ATPIDLIFIQQIAN-HPUUJOOBSA-N	404.900	5.211	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860075209	QGLAAKIEXYESTO-OQLLNIDSSA-N	413.873	6.073	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860083903	DGRPDLFJVXZRSS-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(Cc2cccc(Cl)c2)N=C1c1ccccc1	1865679433	MXZYFVIFNBATNJ-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccccc2O)sc(C)c1-c1ccc(Cl)cc1	1865876064	PKOVVTNGWHEFSW-UHFFFAOYSA-N	415.898	5.512	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(Br)c1	1915420501	INYUKSORSWYWPL-JKSUJKDBSA-N	415.400	6.298	10	10	HKCE	
COCC(C)(C)N(Cc1ccccc1)c1ccc(CNC(C)C)c(Br)c1	1915437540	MUCHRMMFTLJRCQ-UHFFFAOYSA-N	419.407	5.379	10	10	HKCE	
CCN(CC)CCN(Cc1ccccc1)c1ccc([C@H](C)NC)cc1Br	2095882424	XBVXHBKNUDTWKG-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1Br	2117996925	SQSVYVLAUCZYHK-UHFFFAOYSA-N	419.363	5.419	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCc3cccc4ccccc34)c2)SC1=S	2293239079	UFQISYGVFYFHFA-UHFFFAOYSA-N	405.544	5.640	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321721389	VKELGZLIAGYQBI-UHFFFAOYSA-N	410.347	5.716	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2326973180	UYPHGZWZBLWOKC-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332099589	JVBXGOKYLFVZMA-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
O=C(O)[C@@]1(Sc2nccs2)CN(Cc2ccccc2)C2(CCCCCC2)C1	2380083529	LCCOPBAIVXPMQA-NRFANRHFSA-N	402.585	5.058	10	10	HKCE	
CCOc1ccc(N2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=S)cc1	8324184	CBYRUBNEZXENHQ-ZHZULCJRSA-N	407.516	6.387	10	10	HKCE	
CCn1cc(CN2CC[C@@H](c3cccc(F)c3)Sc3cc(OC)ccc32)c(C)n1	12152589	VZBQQXPCIXFABU-QFIPXVFZSA-N	411.546	5.603	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(C)C)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642936	LPMYPXDNGFXUAG-ZKOMGTKCSA-N	406.573	7.764	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461107	CJTBZUZERBEJAZ-PNLZDCPESA-N	414.343	6.160	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCC1	14470901	FOWVGAXGMRCUHO-CKJXQJPGSA-N	423.900	5.311	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471204	VPHPKXLYXZBBCT-QYWGDWMGSA-N	414.889	5.490	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477335	KLPVJHCZDDVZTR-LRAJWGHMSA-N	417.336	5.196	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2)[C@@H]2CC=C[C@H]32)cc1	14551429	YTYNTLVDDIWLOU-SGIRGMQISA-N	410.517	6.164	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)cc1)N2)c1ccccc1	226779055	RVFYONGXHULWEF-ONBPZOJHSA-N	424.544	6.188	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1cccc(Cl)c1	575179012	YPKLLBOFOZWOFZ-GOSISDBHSA-N	409.902	5.647	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1c(F)cccc1Br	708179800	VENVMMVEDSGCJO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669682	QXOSCBRDWWOALB-XQNSMLJCSA-N	416.908	6.115	10	10	HKCE	
CCc1ccc(CCC(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1	1865966808	RQFQUXDJPPCDNH-UHFFFAOYSA-N	421.562	5.952	10	10	HKCE	
Cc1cc(-c2csc(NC(=O)OC(C)(C)C)n2)c(C)n1-c1ccc(C(=O)O)cc1	1887609212	QGGGACPJQUFDNK-UHFFFAOYSA-N	413.499	5.263	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915509317	MHWZLYUGKQWCKY-QAPCUYQASA-N	403.364	5.043	10	10	HKCE	
COc1ccc(NC=CC=CC=C2SC(=S)N(Cc3ccccc3)C2=O)cc1	2295187723	CQGIAKZJJVZZJA-UHFFFAOYSA-N	408.548	5.121	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2296976831	IGKIJCTWCBTZEE-UHFFFAOYSA-N	423.946	6.538	10	10	HKCE	
ClC(=Cc1ccccc1)c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2	2297337006	PXUOBDUVSSRHCF-UHFFFAOYSA-N	403.869	5.586	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1	2318753409	VKGYYKMBHZBMPO-UHFFFAOYSA-N	418.534	5.212	10	10	HKCE	
Ic1ccc(N=NN(Cc2ccccc2)c2ccccc2)cc1	2318775802	LLDYWABPNPZXJI-UHFFFAOYSA-N	413.262	5.997	10	10	HKCE	
CC[C@H](C)N(C(=O)C=Cc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	2329725986	SDBAWTCUJAFXGE-SFHVURJKSA-N	409.485	5.307	10	10	HKCE	
Cc1ccc(Cl)cc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330173162	ORYUOEGISWSINM-UHFFFAOYSA-N	404.945	6.054	10	10	HKCE	
COc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	2330173510	YUKZUWQHYZCXKQ-UHFFFAOYSA-N	420.944	5.755	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3cn(C)c4ccccc34)C2=O)cc1	2332128855	KVXOWGRXPNGIMG-UHFFFAOYSA-N	405.501	5.317	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c(OC)c1	2332140534	ODVRMOBMJIUUEA-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-]	5754044	VEQQNOAWWMKFFI-XMMPIXPASA-N	412.445	5.281	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)N1CCCCCC1	14466716	VIHIKQWEQDIELQ-XLNZFTOWSA-N	406.957	6.183	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471109	PWEPJVVQSPJDOB-QYWGDWMGSA-N	400.862	5.100	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475525	ABNFYAWBNYOQCM-RNHFSVANSA-N	416.952	7.058	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477126	OWHLLPJFGCKNRP-LRDNONRASA-N	401.337	5.960	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477242	LMFBUDVOXAPLTJ-LRDNONRASA-N	417.336	5.196	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccnc2)N3)cc1	14547715	DPBHRRQQHMVCRP-FXSPECFOSA-N	423.560	6.458	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549368	YMOGFWXGYLJFEG-QVNGGLPSSA-N	419.568	7.854	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678672	VSQHYMLQKOXISI-RQTOMXEWSA-N	416.565	5.926	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@@H]32)CC1	20708319	QTBBCVAUFWOKTM-MVERNJQCSA-N	423.560	5.054	10	10	HKCE	
C[C@H]1CCCCN1c1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	101473931	DOCXVVIXWTWDNA-FBQNGNFFSA-N	417.473	5.923	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1	226668299	JYKQUFQCEQAVGT-MVERNJQCSA-N	415.581	5.451	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	253385236	RVOCUNXAABTTGU-CQSZACIVSA-N	420.292	5.288	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309790094	IJKRCUXVLLUJEV-IBGZPJMESA-N	423.398	6.326	10	10	HKCE	
Oc1cccc(Br)c1CNCCc1cccc(OCc2ccccc2)c1	706805351	ZNQZFPTUQULZSO-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
Cc1cc(OCc2ccccc2)ccc1NCc1cc(Br)cc(F)c1O	715814045	OTWHDHYBRGQGAK-UHFFFAOYSA-N	416.290	5.793	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccc(F)cc1	1084370467	PCVAIQRNKUGGKF-OVCLIPMQSA-N	413.326	5.403	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664475	FEFUXHQOHVKMTK-FMIVXFBMSA-N	411.691	5.978	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OC	1865669386	KYGMIIZIUAODRP-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1	1866094118	FQYLEKAPWDJNNF-DEOSSOPVSA-N	407.602	5.007	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3cn2)sc(C)c1-c1ccccc1	1866238711	LSCYXWLEMPOAAG-UHFFFAOYSA-N	402.475	5.311	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(C=O)c2Br)C2(C)CC2)c(O)c1	2079032131	XUNSHOQDBITOFJ-KRWDZBQOSA-N	405.336	5.159	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080002853	DVLQOYAHJJITNW-GOSISDBHSA-N	404.938	5.333	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CO)c2Br)C2(C)CC2)cc1C	2080022066	FDMBCVMYLUFOQI-SFHVURJKSA-N	421.379	5.147	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2095888868	OKCYNMAOQXIDPA-GOSISDBHSA-N	415.419	6.459	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2095945313	OQXJEXZUSXDWTH-SFHVURJKSA-N	419.407	5.236	10	10	HKCE	
CC[C@H](NCCCCCN(C)Cc1ccccc1)c1cc(Br)ccc1O	2127649729	JRTWWESBDSRPHB-NRFANRHFSA-N	419.407	5.498	10	10	HKCE	
O=C(NCCCCC[C@H](O)c1ccc(N2CCCCC2)cc1)OCc1ccccc1	2236170165	FRUVAKHYLQHROH-DEOSSOPVSA-N	410.558	5.197	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1	2296657700	IWFOBOJCBLNLGU-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=CC=C(Br)c2ccccc2)SC1=S	2297357203	BDHRTZQLODECCK-UHFFFAOYSA-N	416.365	5.680	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2321718249	OHSSQRCAKQCXNC-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	2321730168	OHPIZTRNIIBQPZ-UHFFFAOYSA-N	421.591	5.304	10	10	HKCE	
COc1ccc(CCN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2323738930	BEFWJWAQNHLPST-UHFFFAOYSA-N	424.374	5.446	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458492	SRQJNBHRBAYZBJ-JCYRPKCISA-N	408.545	5.794	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14458551	FGCZVXBUIDVTPJ-FBLLAGFSSA-N	400.566	6.226	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14460949	ZKEBVPVJSHRRFT-NVGCLXPQSA-N	421.132	5.744	10	10	HKCE	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468346	DFKWPEHUBLAELQ-VFCRVFHLSA-N	404.293	5.754	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476635	OLJDLTFHSDPRPT-UXWDXCIHSA-N	411.545	6.881	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21	14548155	VJBSRACITYZKNI-DCDUIENUSA-N	413.517	5.930	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14552281	IVOVWCHWOYEMSQ-SGIRGMQISA-N	418.606	6.251	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc1OC	20243559	DXDDPOLUNLBEBR-CLUVUEOHSA-N	410.728	6.491	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	20764172	RAKGBKFUGGQGCQ-XUZZJYLKSA-N	424.903	5.806	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=S)cc1	33574294	BBDVBWAWTSDCME-UNOMPAQXSA-N	422.487	6.205	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc3ccccc3c2)nc1-c1ccc(Cl)cc1	40944811	KNOVUTSLHSPDSN-UHFFFAOYSA-N	414.939	5.726	10	10	HKCE	
O=C1c2ccccc2C(=O)c2cc(Nc3ncnc4sc5c(c34)CCCC5)ccc21	71435016	NSQLXMXUNYXBFD-UHFFFAOYSA-N	411.486	5.089	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	251489918	CKQWYABPGJDTCH-YSWCGASXSA-N	410.517	5.710	10	10	HKCE	
Oc1cc(Cl)cc(Cl)c1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1	575301320	RXLXYCJQDXZBEO-QGZVFWFLSA-N	422.230	5.019	10	10	HKCE	
Cc1cc(Br)c(NCc2ccc(F)c(F)c2O)c(Br)c1	700763973	ACLGPUHFGRCGBN-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
O=S(=O)(c1ccc(N=Nc2cc(-c3ccccc3)ccc2O)cc1)N1CCCC1	1083939253	IACYCUUUYQUAHI-UHFFFAOYSA-N	407.495	5.259	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1C(F)(F)F	1084010532	SPHUNILQUAQRGW-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(CCc4ccccc4)n3)cc2)cc1	1857850607	UOKZXHMHSLWFGG-UHFFFAOYSA-N	416.615	6.611	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	1860085507	OOWRGQLCJSAUSP-GZTJUZNOSA-N	405.928	5.240	10	10	HKCE	
CCN[C@H](CC)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	1946823424	ZWRNDFCLCUIBQC-MUUNZHRXSA-N	415.625	5.886	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2c(N)cccc2Br)CC1	2106229186	RTDVPKOPBFDUOC-MRXNPFEDSA-N	424.383	5.013	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(CC)cc1	2313681631	JOWKCRCHYWWKNY-UHFFFAOYSA-N	404.539	5.748	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cccc1OC	2332117577	XBOMNBOTBXROHU-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462327	UKWZKPUKLYSSHP-NPZLAWLJSA-N	417.597	5.888	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467707	VEKLQTGMYZUJFS-BXTJHSDWSA-N	406.309	5.551	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1Cl	14477160	QRLXZMYXDGTESD-ZDPRRSKRSA-N	416.348	6.378	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14480124	FDPYUXQTYZNELD-HWBMXIPRSA-N	400.566	6.226	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14545796	IVMKSLXDIQZBOI-UZINWLIJSA-N	416.565	5.928	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1	20698450	DUNKFQTUGAZCEW-JTKRFKOTSA-N	416.565	5.545	10	10	HKCE	
Cc1ccc(OCc2ccccc2)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	33447899	GJHNNYJHVFEWQZ-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
CCCCCN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	206165634	ILOOGWPXNVXWIE-FMQUCBEESA-N	422.575	5.308	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226790459	SMFAHOCUPJIVPD-UMFSSWHCSA-N	424.544	5.494	10	10	HKCE	
COc1cc(NCc2cccc(Cl)c2O)c(Br)cc1Br	234940489	LYRCRCWWMRMMCY-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250501715	GXVDVFXPFIISKP-OHUGHZGNSA-N	410.448	6.867	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1N=Nc1ccc(Br)c(Cl)c1	1083969273	XORNFNBEUOIHDY-UHFFFAOYSA-N	424.907	6.639	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591321	DBHXJOTUDZHHGR-OQLLNIDSSA-N	424.425	5.015	10	10	HKCE	
Cc1ccc(-c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)s2)cc1	1859707540	SPNYCRVDLAUSRJ-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc2c(O)cccc12	1860084986	DUPSXMPBZAVVEM-RGVLZGJSSA-N	402.500	5.433	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC	1865669467	POIVRCBSFDXPIT-PXLXIMEGSA-N	406.526	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1866148107	BDTGCBVZEBBZCY-UHFFFAOYSA-N	408.523	5.093	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079998106	MFAFDQYNQMIQMI-FQEVSTJZSA-N	418.965	5.939	10	10	HKCE	
C[C@@H](Nc1ccc(Cl)c(I)c1Cl)c1cc(O)ccc1O	2150346539	GYIZWSSGAPEWSP-SSDOTTSWSA-N	424.065	5.182	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)cc1	2293772130	BLKDOXOURHNXEJ-UHFFFAOYSA-N	404.922	6.297	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2ccccc2Br)C1=O	2296048000	BEAGQFUHGJHQMM-UHFFFAOYSA-N	416.365	5.801	10	10	HKCE	
COc1cc(Cl)c(C=C2C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1OC	2296827852	VYZFITPYTVJZSN-UHFFFAOYSA-N	406.869	5.317	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)c1	2321706136	HXESDCUVJWVFHA-UHFFFAOYSA-N	413.564	5.526	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2323680947	YCBOPIZPQSARPS-QSOKESPWSA-N	401.597	5.501	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	2332119554	QBXQHOIWPKLUQO-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cn(C)c2ccccc12	2332128823	HOQANLVWYBVDOK-UHFFFAOYSA-N	422.326	5.527	10	10	HKCE	
CCOC(=O)C1=CS/C(=C2\C(=S)C(C)(C)Nc3c(OCC)cccc32)S1	12412404	DNPGFNLFHFBFMT-NBVRZTHBSA-N	407.582	5.212	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457422	AHPCWKIFWBRVFW-BCQCSXDESA-N	419.565	6.577	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14458234	WERMTTDDNCGGIC-FBLLAGFSSA-N	422.594	5.433	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549236	WXBFERBYEBBCNO-ZYVVXELTSA-N	405.497	6.606	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20700702	OWQGXZQRYZRYDE-UMEGOILYSA-N	417.936	6.624	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	20756525	UVOFXRSELYQECE-ZRCGQRJVSA-N	417.509	5.484	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226693173	AJYVDNBOQVBNSS-SIFCLUCFSA-N	414.299	5.210	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C	252428574	NNFPJXDINMZRRM-AWEZNQCLSA-N	409.490	6.081	10	10	HKCE	
CC[C@H](Nc1ccc(NC(=O)OC(C)(C)C)nc1)c1cc(Br)ccc1O	311297553	IAQDJPPGAAYDDB-HNNXBMFYSA-N	422.323	5.460	10	10	HKCE	
CCNCc1ccc(N(C)Cc2cscc2Br)c(Br)c1	710020554	YXACSTIYHHTJFS-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656895	XCPCGUBYDQRYCC-FYJGNVAPSA-N	423.299	5.837	10	10	HKCE	
CC1CCC(CNCc2cc(Cl)cc(Cl)c2O)(NC(=O)OC(C)(C)C)CC1	2201477262	YKLLDRYNKTUKTI-UHFFFAOYSA-N	417.377	5.262	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	2296756189	JPKSXEIDUBFMME-UHFFFAOYSA-N	424.591	5.232	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1=Cc1ccc(Cl)cc1Cl	2297454038	YLKQGRIBGHJRND-UHFFFAOYSA-N	406.240	5.010	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	2332116768	XUVPHZRAKCSXAO-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
Cc1cc(F)c(NCc2ccc(C)c(Br)c2O)c(Br)c1	2380746065	SDCVHVREOJEGPE-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@@H](C)C2	2909546	AUCVDDROZROUEE-CQSZACIVSA-N	410.539	5.647	10	10	HKCE	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2	4689658	MKOFQTBORATOJG-WVQJBOLRSA-N	404.691	5.627	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467137	GIKXUJZKTOPLLS-QEEYODRMSA-N	418.320	6.092	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479539	VPVGPFHQLWJVOW-GBWYYYKWSA-N	407.510	5.088	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	14546699	AXJRHCUUMGSYQE-BTKFHORUSA-N	419.566	7.780	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549142	QLFXOSTUMUCPNI-OREGWCPLSA-N	406.485	7.036	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20698189	LXYMTCUVSMTCEO-GEBXHLAXSA-N	409.573	7.258	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(O)c1)N2	226663472	NJINPETZHITLOY-ZCCHDVMBSA-N	412.917	5.619	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226737159	ZKCUFOFOISQHHO-XFQAVAEZSA-N	412.873	5.642	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226739799	ZWZGCHSDCJKPGL-JLHGSKIFSA-N	418.364	6.950	10	10	HKCE	
Cc1ccc(Br)c(NCc2cc(Cl)cc(Br)c2O)c1	708169289	FIQOYHWDEPLVFG-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(Cc4ccccc4F)n3)cc2)cc1	1857850264	CUYLAVNGHSUFSY-UHFFFAOYSA-N	420.578	6.556	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1	1858591066	WJFLFJZPQVYIFA-LDADJPATSA-N	411.548	5.084	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1C	1860076461	AJWVJICEGYPDLY-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1860083975	JAYXNNRIEBKQAN-YBFXNURJSA-N	422.487	5.162	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1860084241	RXUCGTCHDVEUIE-MHWRWJLKSA-N	420.899	5.053	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2c(F)cccc2Cl)cc1	1865664534	RIODTEISQDNZFV-XSFVSMFZSA-N	420.871	5.631	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865668672	KBDOPBXAPRVHTD-ATVHPVEESA-N	408.807	5.477	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC(C)C	1865671900	GWRQLRNWYCIXCG-JWGURIENSA-N	412.489	5.317	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc(C)c1-c1ccc(C)cc1	1866101636	TZDQAYOQNAEGJP-UHFFFAOYSA-N	408.523	5.137	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1C	2294498820	FPGRLVKLXVPYGR-UHFFFAOYSA-N	417.555	6.502	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709014	OPDZENXWGMKWNH-UHFFFAOYSA-N	422.962	5.732	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(N=NN2CCN(c3cccc(Cl)c3)CC2)c1	2330194062	OGGRRWDVKQDHQN-UHFFFAOYSA-N	403.235	5.833	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)cc1OC	2332125777	PJEWXFMIYKVOLL-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O	2332132374	BXQSMEAZUHEDFO-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1ccccc1Cl	2332144916	YWDRRKWPXXFQFQ-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1	2056486	OUQALSJJDNROAQ-AUWJEWJLSA-N	400.739	6.053	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@H](c3ccccc3O)C2)cc1	4729813	NCFGVIIDIIBRAH-ZCYQVOJMSA-N	402.563	5.899	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635724	LSMFINFTPNZFQA-IMSXRSKXSA-N	402.538	5.394	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470418	JFVQWFJVJNMVOU-GKAFBRTNSA-N	424.544	6.441	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	20685994	JLINHHBPCIZGGA-HLIPFELVSA-N	416.306	5.184	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20757059	SDOVKRGHZITIAY-PLXFJCCSSA-N	418.537	6.771	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20759398	SCQKGACTSLXDLD-OASJLCFRSA-N	419.634	7.584	10	10	HKCE	
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccccc1	59462792	BPGJLPMLFWQAHT-DEOSSOPVSA-N	418.928	5.334	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226862547	YUIILSZECHYCFA-UMFSSWHCSA-N	416.565	5.784	10	10	HKCE	
CCOc1ccc(-c2cc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)no2)cc1	254485811	MUCIGDZOOYTERB-UHFFFAOYSA-N	412.449	6.408	10	10	HKCE	
C[C@H](Nc1cc(I)ccc1Cl)c1ccc(N(C)C)cc1	380316205	XSKKETKCIQKCFO-NSHDSACASA-N	400.691	5.184	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2ccccc2C(F)(F)F)C1=O	1083994721	RQQQSGALTAQLGL-YGRGUWMTSA-N	400.491	5.176	10	10	HKCE	
O=C1/C(=C/c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1	1084212861	HSEMDOJXGWBDJH-XSFVSMFZSA-N	421.269	5.423	10	10	HKCE	
CC(C)c1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2n1	1859616647	WEGMVSBPLUWEMH-UHFFFAOYSA-N	420.468	5.386	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	1860074826	QKNCQXGMTGQFPE-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668310	QMTYJYWLTDMRLR-BUVRLJJBSA-N	416.908	5.721	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1OC	1865669072	FJSRDTLRPGTLKW-CXUHLZMHSA-N	419.308	5.202	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672330	XFKSDXZNZKHFKE-XDHOZWIPSA-N	412.917	5.722	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	1865678034	QDNCIILCQVNTLR-GXDHUFHOSA-N	404.253	5.488	10	10	HKCE	
CCCC[C@H](N)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC	1866019427	KLDMGYHIWYMNCS-HNNXBMFYSA-N	408.951	5.010	10	10	HKCE	
Cc1ccc([C@@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	1868170703	HSJJZUKTTCYJGJ-QHCPKHFHSA-N	423.512	5.601	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Br)cc1Cl	1891112514	DVJKDQGKIAAAMY-YOEHRIQHSA-N	419.750	5.021	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2095870717	SHMFRMCPCXMJBC-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C[C@H](O)CC)cc1Br	2231455110	SCPRTHQJDMWKBL-LAUBAEHRSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccccc1F	2297356741	MQIABSHHOABQEZ-UHFFFAOYSA-N	400.283	5.244	10	10	HKCE	
CCCCOC(=O)CCCCCN1C(=O)SC(=Cc2ccc(OC)cc2)C1=S	2297476643	FPGQUOUTWZBKKH-UHFFFAOYSA-N	421.584	5.436	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1	2321591357	NUOZXALFLASEDZ-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323888815	KQFLZZSHDRGPGK-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113901	WLUGGDKHENICIJ-UHFFFAOYSA-N	404.897	5.694	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14465485	CBJWBGGBWGQYFC-ZEVJAHDQSA-N	415.964	7.178	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466617	VIIMYRWSGYHLMU-KLMMPHRKSA-N	416.974	5.243	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14544001	KPMVVNJQFLAJMG-NDIVSWGXSA-N	418.540	7.419	10	10	HKCE	
Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3cccc(F)c3)c2C)cs1	45326921	ICSGRTKBNVATHR-UHFFFAOYSA-N	419.525	5.846	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1	54620726	KTSAEMPMHBRMPI-HSZRJFAPSA-N	412.489	5.709	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c2ccccc2nc2ccccc12	100148679	VMMGVPGYTZQXLH-PXLXIMEGSA-N	406.489	5.723	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226852681	UPPVFOMXOMRVIW-MCFFVMPBSA-N	411.889	5.813	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226899196	DJYRCIUWDUDGAU-GNMOFYLKSA-N	412.533	6.357	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CC)c(Br)c1	387304604	ZCWFGXXRSMDCCJ-QZTJIDSGSA-N	403.408	6.315	10	10	HKCE	
CC(C)N(C(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891688	LQVPOSCJUPINLR-NTEUORMPSA-N	413.448	5.056	10	10	HKCE	
CC[C@H](C)N(C(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917578	SUDAIQASZNUXHJ-XAVZPLJISA-N	423.512	5.615	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cc(F)ccc1F	1860087419	WDMXCUGPHIAGBJ-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656188	BQHZIZJOMJWMON-PXLXIMEGSA-N	418.880	5.192	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OCC	1865665174	FKHIHULWWOYAPS-OQKWZONESA-N	420.553	6.159	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2095843867	UBVFNFKXPHYVAC-UHFFFAOYSA-N	415.419	6.146	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)CC1(C)C	2172457178	VASJMUSTQYJIBI-ZDUSSCGKSA-N	417.377	5.214	10	10	HKCE	
COc1c(Cl)cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1Cl	2293250236	ZJIJXXKIGMFRPT-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
O=C1C(=Cc2ccc(Br)o2)SC(=S)N1c1cccc(Cl)c1	2297297214	NQIXXKFXLGNJLF-UHFFFAOYSA-N	400.706	5.101	10	10	HKCE	
O=C(C=Cc1cccc(Oc2ccccc2)c1)Nc1ccc(N=Nc2ccccc2)cc1	2297322684	GFHUQHJLXFXLKQ-UHFFFAOYSA-N	419.484	7.546	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)c(O)c1	2313533080	VJKYELFVKRYICN-UHFFFAOYSA-N	418.971	5.298	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(OC(F)(F)F)cc1	2321734422	USIUWGMJUGHTIO-UHFFFAOYSA-N	417.380	5.269	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1	2332120888	SAZGGOPOSNXANQ-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2247938	WZUYBTOBEHHKBX-MHWRWJLKSA-N	409.454	5.510	10	10	HKCE	
CN1/C(=C\C=C2\SC(=S)N(CCc3ccccc3)C2=O)C(C)(C)c2ccccc21	13286171	BMZQFNCMSYZEPQ-NAWSQEDCSA-N	420.603	5.285	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@@H]21	14460959	GMUROBKPDRNKES-PSVSLLHZSA-N	411.126	6.288	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469816	ABOCIAODVGAOTG-ROKPMTFOSA-N	422.355	7.399	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1Cl	14476890	MTYOASBFZFPMIX-QZTZHPFYSA-N	408.328	7.612	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCC)cc1)N2	14543692	OIHLEHHHXFHCFX-PNCHPQGNSA-N	410.945	6.304	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCC1	14548069	SVSHSLAUPPJOCG-AJFLCOCNSA-N	424.544	5.998	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549305	CVSXHFBKJOFHIU-FUCNBRFFSA-N	418.540	6.521	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14552307	LQXNSKYZNIYUML-SODVOOIJSA-N	420.578	5.144	10	10	HKCE	
CCCCC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1	38643303	YWKBSDWWNKESSF-JVPYDEADSA-N	400.607	5.257	10	10	HKCE	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	59397718	RLMDXZFEOAUAQC-ZSOIEALJSA-N	410.398	5.019	10	10	HKCE	
CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1	96879328	GMYTVAOJQORCLP-QINSGFPZSA-N	405.567	5.349	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	251322927	HEHVSEUZAQVWIC-KTPJXYJSSA-N	421.566	5.071	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21)c1ccccc1	251524438	LNXWNESPLKBGCX-RXPSNABZSA-N	410.517	5.710	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1Nc1ccccn1	256017867	FUFYTNJOGFRNOH-UHFFFAOYSA-N	412.413	5.682	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cccc(OCC)c1	1865669957	AJAAPRFDFNBGLT-GHRIWEEISA-N	400.881	5.460	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080002360	WJLGYDJLYZFZQR-LJQANCHMSA-N	416.949	5.477	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)ccc1OCc1ccccc1Cl	2297624948	LCSACJGCAPSWLM-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc(OCC)cc3)SC2=S)cc1	2321710493	BQYGVGWNHKTHAV-UHFFFAOYSA-N	413.564	5.670	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2cccs2)cc1	2332127673	WKHRKXBPWMGHME-UHFFFAOYSA-N	408.910	5.240	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cccc(OC)c1OC	2332130768	UFBFRKZWDRECTP-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
COc1cc(Cl)cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O	4361235	CTMMFJRACJWHSJ-HRAATJIYSA-N	412.898	5.358	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3c(C)cn(-c4ccccc4)c3C)SC2=S)cc1	6444269	FMOSXAPEUBHLRB-FYJGNVAPSA-N	420.559	5.509	10	10	HKCE	
CCOc1ccc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)cc1OC	6870524	BCYDVDLUYPUBMZ-FYJGNVAPSA-N	404.491	5.330	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457683	LMQDAWHFIDLPBZ-CIXCFARBSA-N	408.545	6.691	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470118	PJVYMZRAJVFCTI-QQNWGBJXSA-N	411.545	6.879	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546951	QVWBSGCAYHJVDG-XCGNWRKASA-N	404.337	6.235	10	10	HKCE	
CCCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	34981502	QHYQKZLSWZEEPF-MEPUESOJSA-N	407.560	5.748	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226834141	OLJDLTFHSDPRPT-MRJKTFCFSA-N	411.545	6.881	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	251183521	JCVDBQQSDZWPIZ-LKTOMVFGSA-N	408.545	6.313	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc(Br)c[nH]1	253615907	MFDRCOANWKOOOV-OAQYLSRUSA-N	421.294	5.155	10	10	HKCE	
O=C(Cc1ccccc1)[C@](/N=N/c1ccccc1)(C(=O)c1ccccc1)c1ccccc1	1615951640	VWNJSBRQTJTBMC-FXOLTEBKSA-N	418.496	6.361	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccccc4Cl)n3)cc2)cc1	1857850327	GWWVCUHCMARGIO-UHFFFAOYSA-N	423.006	7.146	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OCC	1865666215	DPNJEKPWGDVFRC-PXLXIMEGSA-N	420.553	5.683	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCc4ccccc4)ccc3[nH]2)cc1	1872734228	JOVWVLMBKDRQJT-UHFFFAOYSA-N	412.537	5.049	10	10	HKCE	
CC[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1	1874157950	WGNFYNNFJZXLKP-KRWDZBQOSA-N	420.509	5.310	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C)cc1	1875045795	LBCJWWJZKGLLDQ-UHFFFAOYSA-N	422.834	6.027	10	10	HKCE	
CCCN[C@H](c1ccc(N2CCCCC2)cc1)[C@@H](C)NC(=O)OCc1ccccc1	2163148831	BOLZARWLAURTBA-YKSBVNFPSA-N	409.574	5.033	10	10	HKCE	
CCCN[C@H](CCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236028702	TZHPEDJUYHZSGE-XMMPIXPASA-N	409.574	5.034	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(OC(F)(F)F)cc1	2321734402	QYPNDMQKDBLLMH-UHFFFAOYSA-N	420.437	5.472	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OCC	2332106647	PLUBVRFHZIIVPA-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332119631	XZZRJFBSCOUYIA-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(Cl)c1O	1171681	QGNYXRBUGQLCSE-VXLYETTFSA-N	406.869	5.404	10	10	HKCE	
Cn1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c2ccccc21	2420847	KRWSBWAYLUVXLE-FYJGNVAPSA-N	400.528	5.737	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c[nH]c4ccccc24)N3)c1	14553660	LIFUDCJVGYBSOP-DVBNTOJCSA-N	419.528	6.555	10	10	HKCE	
CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1/C(=O)N(c2ccccc2)N=C1C	83259881	SYCVVGKPMRQXDX-PBDXNDDNSA-N	419.550	5.598	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	251367217	QCQBYXCEPLZWMM-LGIZFMHMSA-N	409.526	5.716	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1858590997	SLXULNPRBDZVFU-RIYZIHGNSA-N	424.330	5.093	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	1860074792	NQZKRBPBTZNZQN-LICLKQGHSA-N	418.381	5.978	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	1860086465	JIHXXXSECXDFST-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)c(F)c4)ccc3[nH]2)cc1	1872736967	XZFUBVBZJQGZNM-UHFFFAOYSA-N	420.463	5.607	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3=Cc1ccco1	2296752673	HTFNUQUBLSHHEW-UHFFFAOYSA-N	406.463	5.395	10	10	HKCE	
CCOc1ccc(N(C)c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)cc2)cc1	2297298230	ULAMZTOAMWQPEU-UHFFFAOYSA-N	411.505	5.659	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1CN1CCCCCC1	2313503134	SPVIAEFLINEPOD-UHFFFAOYSA-N	401.384	5.028	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S	2313507529	RQUJGPWHLSLSBI-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
CCc1ccc(N2C(=O)C(=C(C)c3ccc(Br)cc3)SC2=S)cc1	2314531723	DNDGVWUWRNQIHC-UHFFFAOYSA-N	418.381	5.807	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(Cl)cc3)C1=O)cn2C	2321730140	AQNGXAASGFBYLU-UHFFFAOYSA-N	414.939	5.246	10	10	HKCE	
COc1cc(OC)cc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1	2321741749	NVYUAYOBAKICAS-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	2321748917	BMTVYJWHFKCCNU-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332105073	VOGQOYLWUISFKV-UHFFFAOYSA-N	411.691	5.978	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)c1	2332116760	WRJNTYIMWWJQEW-UHFFFAOYSA-N	410.517	5.532	10	10	HKCE	
CCc1ccc(C(=O)C[C@@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1	48564640	BVYJCORMXIEWHF-QFIPXVFZSA-N	416.904	5.662	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620067	MGOJGESHJPXLCW-JOCHJYFZSA-N	418.518	5.770	10	10	HKCE	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	59396767	DCVXZRJIGJAFON-MOSHPQCFSA-N	413.564	5.507	10	10	HKCE	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)c(C)c1	59859712	QGVKMUWHARTKII-RCCKNPSSSA-N	419.525	5.292	10	10	HKCE	
CN(C)c1ccc(Cn2nccc2NC(=O)c2sc3ccccc3c2Cl)cc1	98080275	MDIMHNAPFGEOKW-UHFFFAOYSA-N	410.930	5.118	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226679850	QBORNAJWSJUHFN-MVERNJQCSA-N	417.597	5.889	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226830940	QJOQQLQXAFOCTC-YVHKJVDXSA-N	414.889	5.490	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C	1084432734	GTROXUZAUDJGOL-VCHYOVAHSA-N	419.955	5.542	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	1860073521	NJNCJNOXPOLJTF-LTGZKZEYSA-N	424.635	6.236	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2F)sc(C)c1-c1ccc(C)cc1	1866042687	NGVUCRKHCPEFSD-UHFFFAOYSA-N	411.498	5.529	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3c[nH]nc3c2)sc(C)c1-c1ccc(C)c(C)c1	1866159480	QPBJDDXSYLWVSY-UHFFFAOYSA-N	419.506	5.256	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N(C2CCCCC2)C2CCCCC2)c1C	1873828683	VGXGHRMQYLCBPB-UHFFFAOYSA-N	408.586	6.210	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080001208	FLFKCRKQZOCPHJ-LJQANCHMSA-N	418.965	5.723	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)cc1C	2080022713	NZJOZTJGRPBXAP-SFHVURJKSA-N	423.395	5.393	10	10	HKCE	
CC1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C(C)C)C2=O)CC1	2314648342	WUMRYNQTIVBHHS-UHFFFAOYSA-N	411.596	5.081	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	6266815	HCYIVZMKLCIMFT-BCQCSXDESA-N	406.485	7.036	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464354	ZPBYFTKKBBOIFP-NSROOHRNSA-N	417.552	7.288	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543324	LMZZFNIEIQKSLT-IMSXRSKXSA-N	402.538	5.538	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14551964	VVCPNBKWZWUSGH-IMSXRSKXSA-N	418.606	6.298	10	10	HKCE	
O=C(O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S	15034428	ZWTCJZCORWJECH-UYRXBGFRSA-N	407.516	5.059	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	16926608	YUHMUZSMIZUGNB-NIFOVZITSA-N	417.596	5.649	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(C)=O)cc4[C@@H]4C=CC[C@H]43)ccc21	20684156	WGKJGYOSMKYXKL-SAFLGMMZSA-N	406.529	6.844	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2\Sc3ccc4sccc4c3N2CC)SC1=S	27551027	VKUBCFFOJQSRND-UOUVAZQYSA-N	404.607	5.439	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1Cl	39372907	QJIXMIRHUHUUSH-BDXSIMOUSA-N	402.925	5.745	10	10	HKCE	
CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)sc2c1	101350041	ZMPOAMHDKMELCQ-PDGQHHTCSA-N	406.511	5.030	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226634013	QROANNOMOQOTJM-YDIMBITNSA-N	408.542	5.385	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@@H]3C=CC[C@H]3CN42)c1	229997594	OSXPNPRPAJYLGH-ZVEKCXHOSA-N	420.512	6.642	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(N(C)C)cc2)cc1	526587893	QPJVXFNCCBWVQE-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1OC	1858587418	AFNZCOCVVXXHNB-XDHOZWIPSA-N	417.527	5.025	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1	1860074666	BEISKFUEZWAWOV-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1Br	1860086130	LUGUWCPEUUWXNQ-OVCLIPMQSA-N	424.772	5.817	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N(C)Cc4ccccc4)ccc3[nH]2)cc1	1873507347	DGUYTBZDVANRDQ-UHFFFAOYSA-N	412.537	5.348	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915513795	XUGLTCLFLMUDIC-QAPCUYQASA-N	403.364	5.043	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080022413	KBUMFILYMDLILD-LJQANCHMSA-N	418.965	5.723	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)cc1	2313500934	USTVAUXVDPVHMZ-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	2321677316	UWRBARMZOGSKRL-UHFFFAOYSA-N	418.543	5.850	10	10	HKCE	
Cc1ccc(CNCc2ccccc2NC(=O)OC(C)(C)C)c(O)c1Br	2352690535	RZYKUKWRIHCROU-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
Cc1ccc(CN[C@H]2CCc3sc(Br)cc32)c(O)c1Br	2380811447	LPKBIODAIMWGGF-NSHDSACASA-N	417.166	5.064	10	10	HKCE	
CCOC(=O)c1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CCC3)cc1	3065999	WLVJTXOVLWAYEF-UHFFFAOYSA-N	424.522	5.179	10	10	HKCE	
O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1ccc(Br)cc1	3082536	JOBAELSXTMVIEP-HKWRFOASSA-N	403.279	5.284	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2	13638302	RJDWXQDPQRLCDW-NOTUOJBMSA-N	410.517	5.790	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(C)s1)[C@@H]1CC=C[C@H]21)c1ccccc1	14456821	NQLYXFKOBCZFHO-DZRGJMJISA-N	414.574	6.550	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459858	CDXWCDJBOSRRDI-BSRJHKFKSA-N	418.537	5.099	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548670	SHCMSJHJLUJLOR-SFYKDHMMSA-N	422.575	5.053	10	10	HKCE	
COc1cc(Cl)c(/C=C2/C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1OC	33315496	VYZFITPYTVJZSN-YBFXNURJSA-N	406.869	5.317	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=S)cc1	35517622	NXCIEIMQGRCVIN-UNOMPAQXSA-N	422.487	6.205	10	10	HKCE	
Nc1c(C(=O)Oc2ccccc2)sc2nc(Cc3cccs3)c3c(c12)CCCC3	40568398	JFSNKLHOPUMHQM-UHFFFAOYSA-N	420.559	5.629	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1O	226659742	PCXPABKFQVDPGM-IMWIBFENSA-N	418.537	5.099	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226829308	FDPAMBOCNZZHEX-VHSZZVNMSA-N	424.544	5.842	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858588528	KRPRURLQOVMUFW-KZZXARMCSA-N	422.413	5.475	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cc1OCC	1865666315	JNKZINGTQQAVSY-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OC	1865671404	ZKEIPYIDFCEKBQ-LTGZKZEYSA-N	406.526	5.769	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1c(Cl)cc(Cl)cc1Br	2203037243	QAQXXJUUWMDCPN-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S	2297335658	UUFVKGYRGYAVSV-UHFFFAOYSA-N	412.967	5.564	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2297451721	BSEBGNJLEYKXKV-UHFFFAOYSA-N	416.304	5.569	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332107622	OEIYMTJFCBYSHR-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OCC	2332113794	KPYYWQKGJKIUBS-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OCC)c(OC)c1	2332124567	PZMIDYWINZRWOM-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O	1481830	WMUIIGVAWPWQAW-DEOSSOPVSA-N	419.477	5.042	10	10	HKCE	in-man
Cc1ccccc1C(=O)Nc1cccc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	3013729	YAYZNACFNFXNON-UHFFFAOYSA-N	411.845	5.127	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	14545309	SQVJXVXUAYDOMJ-AUSJPIAWSA-N	417.290	5.516	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547092	XNLKXTITCYEKMD-PDSXEYIOSA-N	401.337	5.960	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1O	20690148	QWERFDSPUVETHZ-IECBHUPTSA-N	412.489	5.480	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(C)cc2)[C@@H]2CC=C[C@@H]32)cc1	20692270	DCPYHEVVLKASTG-JQYIIUTOSA-N	424.544	6.473	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)/C(=C\c2ccco2)S1	206370621	UNMXPQYLSSVCFA-DBRLUCFCSA-N	415.474	5.443	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(SC)cc1)N2	226785981	UCLLKRXRFRDAAH-DRSNIGMVSA-N	412.986	6.627	10	10	HKCE	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1	254344888	RQCXNSLBCHZAJB-UHFFFAOYSA-N	412.415	7.382	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526321898	HIXHHORXKITICB-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1	526497787	YLJPJHDOBNPFNP-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
CCNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	2034711413	YCKJKTFMPOFCBC-UHFFFAOYSA-N	415.297	5.518	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2034747621	OYVAPOOVXZVNIO-UHFFFAOYSA-N	411.334	5.609	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(CO)c2Br)C(C)(C)C)c(O)c1	2079015256	QUVDDTJAEBNYQX-SFHVURJKSA-N	407.352	5.055	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(Cl)c(Br)c2)c1O	2236051617	VSWAFFQKTSTFDN-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(SCc4ccccc4)o3)SC2=S)c1	2297349925	CEYKGHUFEWNGTM-UHFFFAOYSA-N	423.584	6.286	10	10	HKCE	
CCOc1ccc(N2C(=O)SC(=Cc3ccc(-c4ccccc4)o3)C2=S)cc1	2314486301	CBYRUBNEZXENHQ-UHFFFAOYSA-N	407.516	6.387	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c1	2332119077	AEIYIWKZSPITIK-UHFFFAOYSA-N	424.422	5.977	10	10	HKCE	
O=C1/C(=C/C=C/c2ccc(Br)cc2)SC(=S)N1c1ccccc1	2810369	NKCJZCDNQVQCDO-VJSUNBITSA-N	402.338	5.411	10	10	HKCE	
Cc1cccc(/N=N/c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2O)c1	5285969	VPPAXJJTWZPWMO-CYYJNZCTSA-N	410.502	7.159	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470077	MRWFOLXSNMHZDB-OARDWFSCSA-N	411.545	6.881	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14550970	PQGZXNAYVHCZBG-FXSPECFOSA-N	412.489	6.043	10	10	HKCE	
C/C(NCc1ccc(Cl)cc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	17092023	LFMPJPAFLNHPSC-CJLVFECKSA-N	419.887	5.294	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20748826	FIJLBDHDYOVMND-MVOZIGHISA-N	417.593	7.261	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	226725381	FNNPOROHHUAZDD-ZFGGDYGUSA-N	414.936	6.097	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c(C)c1	254321288	ZZNYWYIRKYWCMT-JCQHVZRWSA-N	411.549	7.668	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F	1865675976	KENWDIGAJIRCMG-BOPFTXTBSA-N	422.834	5.471	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)c1	1872834992	IFLBWLPLEPPEPV-UHFFFAOYSA-N	402.538	5.881	10	10	HKCE	
CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	2156495622	AHYDFQXYCWHQDL-CJNGLKHVSA-N	417.377	5.262	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC	2318755900	BEKLFLLMVWPSGM-UHFFFAOYSA-N	413.564	5.623	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332134626	QPXINDQUKOBNMP-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1	1159937	DKBDNCVMCSDIGK-DEDYPNTBSA-N	408.523	5.639	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635534	GBBNSXIQMYGZBA-FBLLAGFSSA-N	410.517	5.452	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549406	AKLLLLDXVQBUGS-CQIJWSFUSA-N	419.568	7.998	10	10	HKCE	
O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1	31731788	AIPFAEVOAVGXCY-OCEACIFDSA-N	421.522	5.088	10	10	HKCE	
CCOc1cccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)c1	1865670020	DSPUHYRMGJFUPJ-GZTJUZNOSA-N	403.309	5.584	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C	1865674430	FMMSSTSJSJRNNW-SFQUDFHCSA-N	403.309	5.584	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1	1865675049	MCQISPYBBRQSKC-WJDWOHSUSA-N	423.232	5.360	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677537	ONMPRKOIXBSEHF-FYJGNVAPSA-N	406.844	5.322	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C2CCC(=O)CC2)sc(C)c1-c1ccc(Cl)cc1	1865988506	OVDLNJOHPKOORC-UHFFFAOYSA-N	419.930	5.251	10	10	HKCE	
CCCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870853947	XDBPVEIQSOUNBR-UHFFFAOYSA-N	419.569	6.039	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccc(-c2ccc(Cl)cc2)c1	1892054198	DBJJBVOTMCBAPP-UHFFFAOYSA-N	416.911	5.524	10	10	HKCE	
O=[N+]([O-])c1ccc2nc(/C=C(/O)c3ccccc3)c(/C=C(\O)c3ccccc3)nc2c1	2037696924	WRLJXZCHZYWTBM-KZSQTELISA-N	411.417	5.650	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100209003	ZCBQOQLTLISHSO-XGRCMKMKSA-N	417.391	5.304	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC	2295149910	SPBWZEIULKGNCK-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	2313517556	RUUUQPJYZRNBRS-UHFFFAOYSA-N	411.461	5.553	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	2321607272	RBHZAYQKYYNSPB-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
Cc1ccc(CNc2cccc(N(C)C(=O)OC(C)(C)C)c2)c(O)c1Br	2352690577	BZODTHNETOBRCI-UHFFFAOYSA-N	421.335	5.447	10	10	HKCE	
CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H](C)CC)ccc21	3585587	XDSJIJKLEIAHQI-OAQYLSRUSA-N	423.670	6.545	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)c1ccccc1	14464723	CJCXXJDDDJJALQ-CRRLPVGBSA-N	416.524	6.919	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	14477441	XEJGGXPYRBOOQC-YDIMBITNSA-N	407.344	7.564	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	14477709	BMDDTCIDAIGVJM-PRHHBONVSA-N	416.348	6.378	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250646309	LLJDMHPKUSZSEN-LGVFNWMJSA-N	414.461	5.706	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	1860076649	SDVBOLUJBNCDKJ-MHWRWJLKSA-N	420.899	5.053	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1C	1860076870	UNWOKRYLRCWOKQ-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1OCC	1865665323	NEQCFUDOPNFYLP-ATVHPVEESA-N	418.415	5.141	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865677637	VDUIASDUFPJHTC-XFFZJAGNSA-N	401.171	5.048	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2c(O)cccc2Br)c1	1925133196	QRTMLRIYTFZHHW-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)cc1Br	2095880293	YFQDZIHDVKWPIB-OAQYLSRUSA-N	417.391	5.134	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2321718209	BCVNFHJGGXEWEY-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	2332134483	BVBMIBNFKJZQPX-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332140079	ZZLWOZBMCXKBLF-UHFFFAOYSA-N	410.521	5.304	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)c(F)c2F)c(O)c1Br	2380802432	YFVDNQSTRBUUNB-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CCCCc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	3657155	AZBZYJKVZOCXPJ-QNGOZBTKSA-N	409.555	5.201	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13644625	WYVIADBTFOYGGG-VBOOUTDYSA-N	410.561	6.201	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14455973	VUHRDWAXUASMPY-XQFWAAQXSA-N	406.595	6.288	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14546331	YHEIMPLLSGFHEM-BCQCSXDESA-N	403.566	6.871	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711887	LMFBUDVOXAPLTJ-CKNLXJGOSA-N	417.336	5.196	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20718472	XVCSMHMUIJRWRM-NDDXJGTKSA-N	419.524	7.467	10	10	HKCE	
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	33337927	FIJJBXUIZXWPCO-CHHVJCJISA-N	410.303	5.128	10	10	HKCE	
CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1	109677514	ZVFLGZMQJFNDTA-GOSISDBHSA-N	413.587	5.248	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc(F)c(Cl)c1	526272699	QCUJEZCLSJCCIP-SFHVURJKSA-N	417.845	5.009	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)c1	1859075526	VREWHWFHEQUIOW-UHFFFAOYSA-N	421.928	5.230	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665460	UVVKHUZDKOPIMT-CPNJWEJPSA-N	412.917	5.724	10	10	HKCE	
C1=CC(c2ccc(C=Cc3ccc(-c4ncc(-c5ccccc5)o4)cc3)s2)=S=C1	2053623109	FQWCOSUBDAYHNI-UHFFFAOYSA-N	411.551	6.866	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(CO)c2Br)C(C)(C)C)c(O)c1	2079015255	QUVDDTJAEBNYQX-GOSISDBHSA-N	407.352	5.055	10	10	HKCE	
CC(C)(C)OC(=O)NCC1(CNCc2cc(Cl)cc(Cl)c2O)CCCCC1	2154859589	GCHGPXMHGNRANU-UHFFFAOYSA-N	417.377	5.264	10	10	HKCE	
CC[C@H](N[C@@H](C)c1cscc1Br)c1cc(Br)ccc1O	2186652225	NUXQJULGBBQIIJ-XPTSAGLGSA-N	419.182	5.781	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2314736005	OABRDODKJBLPSR-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
O=C(CCCc1cccs1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	10909334	OGXBFMINHAKWQB-VWLOTQADSA-N	401.531	5.835	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCC1	14464167	UQANYFYTXAXGFD-KJOQGJGQSA-N	408.545	6.292	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470274	RUOHBHHBWMBFQJ-NLJOTIRTSA-N	411.545	6.879	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475553	HHZJDLAONFMQBC-QQNWGBJXSA-N	424.588	6.929	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547087	SHWBITLIHFGLDY-VTJXTGGHSA-N	417.336	5.196	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550492	GLXMAVNOUGVXSY-VBOOUTDYSA-N	411.545	6.533	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2)[C@H]2CC=C[C@H]32)cc1	14551427	YTYNTLVDDIWLOU-WRALFONMSA-N	410.517	6.164	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(N(C)C)cc2)cc1	526587882	QPJVXFNCCBWVQE-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2cc(Br)cc(Br)c2)c1	690338889	KNGHEVDKOKXOBX-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2cscc2Br)c(Br)c1	710025641	CVFNIROCFWRPSS-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccc(F)cc1	1081112850	VICVVOCHALNZGJ-AUWJEWJLSA-N	412.294	5.174	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1860084438	YDUSCGBAVBEYNF-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2c1	1860086483	KRYPBFSHYRSGFZ-CNHKJKLMSA-N	414.939	5.544	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(/N=N/c2cc(C(F)(F)F)ccc2Cl)CC1	1860484054	WBYBCLFLCKCAGT-GHVJWSGMSA-N	406.836	5.300	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	1865654503	WAYOBOBRDCNUKN-JWGURIENSA-N	415.924	5.236	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OC	1865669017	BRSDAHXIXLKTKR-HEHNFIMWSA-N	406.526	5.851	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc1	1865669579	PPNNSMKLPZHPLX-UQQQWYQISA-N	410.517	5.532	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1	1865669956	AHLZHLOBCPXGGI-PTGBLXJZSA-N	406.526	5.851	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc5c[nH]nc5c4)ccc3[nH]2)cc1	1872736077	GBBXFAMZVVCAJO-UHFFFAOYSA-N	424.508	5.205	10	10	HKCE	
Cc1c([C@H](C)O)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901882309	DXEMCXYIJNNBPU-QHCPKHFHSA-N	402.582	5.495	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	1927006196	RYXMCDPYGXKVQU-GFCCVEGCSA-N	411.329	5.897	10	10	HKCE	
Oc1c(Cl)cccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Br	2079822263	BMFFNDKAZBMPAM-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080053997	XTZMMTVLQQTEJZ-MRXNPFEDSA-N	400.853	5.219	10	10	HKCE	
O=C(Oc1cccc(C=C2SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1	2297303249	JCVUJFBHHWUQIY-UHFFFAOYSA-N	417.511	5.312	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1	2313681632	JTDIYSJVAGIQQM-UHFFFAOYSA-N	417.321	5.712	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323791170	WVXAFGVOORMZFS-QMTHXVAHSA-N	414.365	5.368	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332099377	OUHGPANYOASMSB-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	2332105154	CHLOARMMBUBWOH-UHFFFAOYSA-N	404.469	5.688	10	10	HKCE	
Cc1ccc(CNc2ccccc2CNC(=O)OC(C)(C)C)c(O)c1Br	2352683747	KJEYHIMOVSFLQQ-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3C)C3CCCC3)ccc21	3586072	NXNRKXJWWMKSPM-UHFFFAOYSA-N	421.654	6.218	10	10	HKCE	
CCCCCCNC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccccc2F)c1C	4186110	JRVMFNBXUUOXSW-UHFFFAOYSA-N	408.517	5.911	10	10	HKCE	
CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729879	DKEGDMRGWFGUIS-IRLDBZIGSA-N	415.375	5.757	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1	6721786	NCALGPLTBLDDCX-DHLKQENFSA-N	416.477	5.042	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1cccc(C)n1	12512082	VDYABOXWBUYSPD-HSZRJFAPSA-N	406.551	5.651	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456571	XFTOPUTYNRZMPY-DZRGJMJISA-N	414.574	5.856	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459409	IJVYSWQJMSYYMR-RLSLOFABSA-N	420.553	5.490	10	10	HKCE	
CC(=O)N(/C=C/C=C/C=C1\SC(=S)N(c2ccccc2)C1=O)c1ccccc1	33912677	GFUMNEQPQSXELK-DSJZNHCESA-N	406.532	5.058	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	96936264	TWNFXCUKJXTQAZ-MLPAPPSSSA-N	418.729	6.192	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526232836	VKVXSSCFEONXKN-JOCHJYFZSA-N	421.880	5.371	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(N(C)C)cc2)cc1	526560267	CMPGHEFSAGQXSC-HSZRJFAPSA-N	420.459	5.396	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cc1	1860073629	ZKRCDQBZKYGYLO-WOJGMQOQSA-N	404.507	5.217	10	10	HKCE	
Cc1c(Br)cccc1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117994850	HAVREJGDQHWLOR-UHFFFAOYSA-N	419.363	5.419	10	10	HKCE	
CC(=O)Oc1ccc(C=C2C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	2294259208	SLEUQVQMJMMSJD-UHFFFAOYSA-N	419.658	5.009	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	2294623808	WLFFEOZEOAPTFC-UHFFFAOYSA-N	407.919	5.674	10	10	HKCE	
Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C(C)C)C3=O)cc2c1	2314647581	DAZOURZVHFMPTK-UHFFFAOYSA-N	411.596	5.143	10	10	HKCE	
COc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2321680333	FFTFPDOKVXCFRF-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133170	KICCQPDMZSDRQL-UHFFFAOYSA-N	403.869	5.120	10	10	HKCE	
Cc1ccc(CN(C)[C@@H](C)c2cscc2Br)c(O)c1Br	2380764349	CLXYFDULOFJGAW-JTQLQIEISA-N	419.182	5.480	10	10	HKCE	
Cc1ccc(CN(C)c2c(Cl)cccc2Br)c(O)c1Br	2381139080	ZZMURHUHVRNXEJ-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(C)cc2)[C@@H]2CC=C[C@H]32)cc1	14458560	DCPYHEVVLKASTG-PPJWLVRDSA-N	424.544	6.473	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@H]21	14466451	UNVLSDIXVDXOPY-LZCXECNNSA-N	417.936	6.624	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476392	HIBPMWQPQLGAGG-UNVFRBQDSA-N	412.489	6.309	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479509	JKIZRSQMQGLJHI-WOVHNISZSA-N	407.554	6.489	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14547806	PSPKOIWPHPRLLE-MVOZIGHISA-N	405.497	7.164	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20699658	DJEUISVAOJAKFO-TXTKFYIRSA-N	406.957	6.183	10	10	HKCE	
COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1	53363494	WZROKTLVDKWJCX-GMAHTHKFSA-N	420.896	5.055	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc4ccccc4c2)N3)CC1	226842636	KHUFXWSYIMYKJK-CERRFVOPSA-N	422.572	6.538	10	10	HKCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526294020	NODXRRILODIJRO-XMMPIXPASA-N	414.505	5.209	10	10	HKCE	
Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859765497	AOOHXTGKRXCZCU-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CC[C@H](C)N(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917164	LUVQSVZMFRWLFG-QCUIPMNBSA-N	409.485	5.307	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	1860087210	HYGPCKCLJBXURS-GZTJUZNOSA-N	423.481	5.898	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1	1865668481	ZZBAQOINDRTGQD-LDADJPATSA-N	403.309	5.978	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CCC)cc1	1865668709	LSHJAEAFVIKPSL-QGOAFFKASA-N	417.336	6.369	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCCCC(=O)O)sc(C)c1-c1ccc(Cl)cc1	1866100798	CKUBAFFUIUJCGL-UHFFFAOYSA-N	423.918	5.137	10	10	HKCE	
Nc1ccc(Cn2c(-c3ccc(OCc4ccccc4)cc3)nc3ccccc32)cc1	2060393608	KCDJPRDZBUDNFR-UHFFFAOYSA-N	405.501	5.913	10	10	HKCE	
Oc1c(Cn2nc(Br)c(Cl)c2C(F)(F)F)cccc1C(F)(F)F	2079142607	IHUUXDMZCCTFDH-UHFFFAOYSA-N	423.538	5.091	10	10	HKCE	
CC(C)c1nn(Cc2c(O)cccc2Br)c(Br)c1C(C)C	2079694376	PXTXMFZLNVZMQD-UHFFFAOYSA-N	416.157	5.409	10	10	HKCE	
Cc1cc(Br)c(F)c(NCc2cc(Br)cc(F)c2O)c1	2145595097	MHVOLAQCIXGIKS-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Nc1ccc(N(C(=O)NC=Cc2ccccc2Br)c2ccccc2)cc1	2325895101	GVNYLDRNOLAVOL-UHFFFAOYSA-N	408.299	5.550	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1cc(Br)c(OC(C)C)c(OC)c1	2332127232	ASNUROCOZBNPJU-UHFFFAOYSA-N	423.351	5.037	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2	13638299	RJDWXQDPQRLCDW-WCYRKSIYSA-N	410.517	5.790	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458197	AEPYVOSSIPBWCB-VYKTZEHYSA-N	422.572	6.715	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14462170	XNKRXNCWSOATAO-FBLLAGFSSA-N	417.597	5.889	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549123	KBPHXYMUPXMJSX-LZCXECNNSA-N	416.351	8.126	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552068	DKCVKOVTHIUXMF-IMSXRSKXSA-N	418.606	6.107	10	10	HKCE	
C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(N(C)C)cc1	59416088	UZGVMJTZLSHECX-SUAQMRIISA-N	411.549	5.744	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	59860410	ZXUNEIOZZVZQDV-XDJHFCHBSA-N	400.434	5.135	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4cccc(Cl)c4Cl)c2c1N)CCCC3	96586984	SAQVBQJZGNGGGW-UHFFFAOYSA-N	421.349	5.908	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2	226667727	ZDTFYNCHGUVAFX-IEGUWTFLSA-N	409.961	5.971	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226882571	FKOJUUYCKKKXNB-AWVRMFGXSA-N	411.545	6.533	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1C1CCCCCCCCCCC1	1858587520	IKCLDTHNEMYOJG-HMMYKYKNSA-N	423.594	6.839	10	10	HKCE	
CCCOc1ccccc1C(=O)Nc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1	1859059960	PWBNVORQJNSZBC-UHFFFAOYSA-N	417.509	5.046	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1	1860086949	RLLCPELSTWZGJE-LDADJPATSA-N	415.511	5.188	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CCC)cccc1OC	1865668863	ULUIADDFZKXYDX-HMMYKYKNSA-N	410.489	5.205	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2sccc2C)cc1	1865670549	FSCCXKACSZMZJC-DEDYPNTBSA-N	406.482	5.034	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865677438	IXYOHVBGEHDNKW-QPEQYQDCSA-N	417.189	5.477	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(Br)c1	2129812719	ZFXZTZOMWHNJFG-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1ccccc1C	2293345759	YOBPZKYVVUEBMD-UHFFFAOYSA-N	413.564	5.194	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2297342032	UERBWAIJJXLAQL-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2321585897	SZCWWAROZPZNGB-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
COc1cccc2c1O[C@@H](c1ccc(N(C)C)cc1)N1N=C(c3cccs3)C[C@@H]21	5547607	VZCWOIYBUAIUCD-CVDCTZTESA-N	405.523	5.065	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13636112	TWFRYMQQGHERIB-DPZBCOQUSA-N	403.566	6.871	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14545841	YRWKWYSITGCRTG-OREGWCPLSA-N	424.544	6.188	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	14552370	UWPLZTLOVSSOLQ-DPZBCOQUSA-N	423.560	6.140	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691627	IQDVFUKWESKMSB-ITLAICGJSA-N	409.573	7.060	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21	226733025	QHHCUOGGJYFBNH-OHUAYANFSA-N	411.126	6.288	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1OC	1860073636	ZYRLOBFBQHVTAS-WOJGMQOQSA-N	419.955	5.462	10	10	HKCE	
C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868170428	YRVCCQBXIUXBCK-WYMLVPIESA-N	401.849	5.157	10	10	HKCE	
CN(Cc1cccc(F)c1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117995893	NFXFDAWWUGTQBR-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
O=C1C(=Cc2cc(Br)ccc2F)SC(=S)N1c1ccccc1F	2297350975	KTTFZMBZKIFQAS-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)ccc1O	2318756110	HKCFYLBUPAMXFV-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2321609706	GCUVQEPAZFOEPB-UHFFFAOYSA-N	419.453	5.067	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Br)cc1	2332147605	NGBGQZXTMOSFRI-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCCC1	4819006	WELPSTDHUUCDBA-AWRGLXIESA-N	417.509	5.438	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OC(C)C)cc4[C@H]4C=CC[C@H]43)ccc21	13642885	GYRTUHKLYZRKCX-IXQRDTAUSA-N	422.572	7.428	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475588	IRYTUMOSWNZBML-ZEVJAHDQSA-N	412.533	5.433	10	10	HKCE	
C1=C[C@H]2c3cc(OCCOc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14544997	RAXXQKDXRIEOBU-MOSBNWHCSA-N	422.528	6.452	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(C(C)C)cc2)[C@H]2CC=C[C@@H]32)CC1	20698070	GTSRFRNPYAMCJB-MVERNJQCSA-N	414.593	6.509	10	10	HKCE	
Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)c(C)c3)c(Cl)c2)c([N+](=O)[O-])c1	21300335	WAZYKBLKWZGDKN-OGGGYYITSA-N	408.849	7.278	10	10	HKCE	
CCCCCCOc1cccc(C(=O)C(=O)c2cccc(OCCCCCC)c2)c1	205490075	TUOQUVOSOCOHQX-UHFFFAOYSA-N	410.554	6.670	10	10	HKCE	
CN(C)c1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)Nc2cccc3ccccc23)cc1	209361425	KRWIDKKTZJULKO-QJOMJCCJSA-N	415.537	5.048	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226646792	YRKUFZZWXPURSB-NXMSCROESA-N	422.525	5.278	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226778077	IOSWTUMEAPDMRY-IEGUWTFLSA-N	423.509	5.106	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	251321047	GULDTMJECVYPMS-AUZXGJTBSA-N	416.974	5.243	10	10	HKCE	
COc1ccc(NC(=O)OC(C)(C)C)c(NCc2c(O)cccc2Br)c1	706809935	RPZQDOMZBKFKOI-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
Cc1cc(C)c(NCc2cc(Br)cc(F)c2O)c(Br)c1	715734877	AYBUUPYJHMJICE-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCc1cc(Br)c(O)c(N=Nc2cc(Cl)c(Cl)cc2Cl)c1	1084436287	DZWNJQRYEOYYOU-UHFFFAOYSA-N	408.510	7.093	10	10	HKCE	
Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)C23CC4CC(CC(C4)C2)C3)cc1	1857991938	LARINJVBYQQPCU-UHFFFAOYSA-N	413.565	5.542	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4ccccc4F)SC3=S)cc2)CC1	1860085685	UJWBINYGXOXOJD-XSFVSMFZSA-N	412.555	5.468	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccccc1	1865676786	KPHIUATZXIEYTC-UYRXBGFRSA-N	417.852	5.078	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(N)cc2Cl)sc(C)c1-c1ccc(C)cc1	1865949982	WPFXZJAEZQXECE-UHFFFAOYSA-N	414.914	5.306	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2034819575	WHMJWWFWESHWCQ-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2095950703	DQIKNOYWISCLPU-RTBURBONSA-N	417.435	6.561	10	10	HKCE	
O=C1C(=CC=Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1	2293168053	NKCJZCDNQVQCDO-UHFFFAOYSA-N	402.338	5.411	10	10	HKCE	
Clc1ccccc1COc1ccc(C2CCCCC2)cc1/N=N/c1ccccc1	2295356175	QZQVHXPHAGFVPM-BYYHNAKLSA-N	404.941	8.382	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)o1	2313548964	KHCIHOZSBAXNAW-UHFFFAOYSA-N	415.449	5.532	10	10	HKCE	
O=C(NN1C(=O)C(=Cc2cccc3ccccc23)SC1=S)c1ccccc1Cl	2314736497	LORZSYIDZTYWIU-UHFFFAOYSA-N	424.934	5.039	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	2321744073	NVFIECYWXUJHQT-UHFFFAOYSA-N	420.353	5.177	10	10	HKCE	
Fc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	2330155992	YQCMNHYHZWPACL-UHFFFAOYSA-N	408.908	5.885	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	5867056	AZLBLERJPDRCTJ-XSFVSMFZSA-N	412.331	5.101	10	10	HKCE	
CCOc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1	6877985	DXWKRVFEUQWBJW-SFHVURJKSA-N	402.538	5.239	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(Cl)ccc1Cl	13891870	SHNKGDGLIYEKDE-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	14458172	PTQJIRXAIOCYDH-BKSPAHHJSA-N	404.554	5.205	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476740	AWTSHMXYZGBDHA-XXAUWVGASA-N	411.545	6.879	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479510	JKIZRSQMQGLJHI-YPCDYVTLSA-N	407.554	6.489	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl	17091352	UAKYZFNQZBRVDR-DEDYPNTBSA-N	418.324	5.891	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1	33682467	BZWVIQYEHBFEQL-RGVLZGJSSA-N	418.871	5.589	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)c1	40867511	DZICPXXAOPFDGD-AUWJEWJLSA-N	410.303	5.097	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226668874	LMQDAWHFIDLPBZ-JEYPMZLKSA-N	408.545	6.691	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccc(O)c(O)c2)c1	526183311	MKURBXNELLNKQH-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1	526552202	RZMWOVYGHJUELE-QFIPXVFZSA-N	424.422	5.227	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1	1860085865	PJKXLKGOBXGRFT-RVDMUPIBSA-N	420.537	5.241	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)ccc1[N+](=O)[O-]	1860087479	AMLDQTPZTFEHHP-XDHOZWIPSA-N	406.488	5.462	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	1865672532	CNRCRQKENLLOKO-JYRVWZFOSA-N	421.781	5.305	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2C)cc1	1865680827	WUBDCRWZODIVMZ-PXLXIMEGSA-N	402.881	5.492	10	10	HKCE	
Cc1ccc2nc(C(C)C)cc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c2c1	1866273134	YCYZUMVLPASZSF-UHFFFAOYSA-N	411.505	6.293	10	10	HKCE	
CCCC[Sn](CCCC)(CCCC)c1ccc(CN=[N+]=[N-])cc1	1882339214	IFUKYLXGDZEBQM-UHFFFAOYSA-N	422.205	6.553	10	10	HKCE	
CCCN[C@@H](c1ccccc1O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1	2283651457	HETYPMSAKZNHBI-RPWUZVMVSA-N	404.510	5.101	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C=C3SC(=O)N(c4ccccc4)C3=O)c2C)c1C	2294002032	CZHVRZKCEQHIMJ-UHFFFAOYSA-N	402.519	5.952	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(C)c1	2313513964	YIBNAKSHHABBGO-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)C(=CC=Cc2ccco2)SC1=S	2314600217	RZVJUMCICSNVAQ-UHFFFAOYSA-N	421.584	5.633	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC	2321708922	NASUDPFEFXDJHH-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(Cc3ccncc3)cc2)C1=O	2321709054	YFHOOBNHHPTFNV-UHFFFAOYSA-N	402.544	5.387	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	2323739806	PVKRAZFLKGJLLY-UHFFFAOYSA-N	417.640	6.570	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	2332099873	MMSXLOSTIAAQDW-UHFFFAOYSA-N	422.450	6.486	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Br)cc1	2332147474	GLDIOWFVVBKQHD-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1C	3090482	LDBIRIBRGMXCLT-SXGWCWSVSA-N	423.390	5.881	10	10	HKCE	
Cc1cc(C2(c3cc(C)n(-c4ccccc4)c3C)CCCCC2)c(C)n1-c1ccccc1	3242631	HIVOGCOETHNXDT-UHFFFAOYSA-N	422.616	7.752	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCCCC1	4819083	CSWZENPLBSWICD-YZUZCNPQSA-N	406.957	6.183	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14460951	ZKEBVPVJSHRRFT-XWCIJXRUSA-N	421.132	5.744	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3cccc4ccccc34)[C@H]2C1	14464454	VLTPDPOMKKRNAR-OGXMWTIWSA-N	423.600	8.016	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475556	HHZJDLAONFMQBC-OARDWFSCSA-N	424.588	6.929	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477858	DPDVSNGQBZBIMT-AYBUPXMNSA-N	415.364	6.348	10	10	HKCE	
Cc1nc(COc2ccccc2C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)no1	14731811	DQCIVYKSAQYPJQ-CYYJNZCTSA-N	413.437	5.625	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363626	NUJKTDOUNFWJSY-REWPJTCUSA-N	410.876	5.416	10	10	HKCE	
CCN(C)c1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)c1	110158221	GLJXPHPCSYQOOU-UHFFFAOYSA-N	405.473	5.095	10	10	HKCE	
CCN[C@H](c1ccccc1O)c1ccc(Br)cc1NC(=O)OC(C)(C)C	2090038776	AHQJOTJAPZGSJQ-SFHVURJKSA-N	421.335	5.201	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2c(N)cccc2Br)C1	2106215678	KOXGBBDGWUUWTC-OXJNMPFZSA-N	424.383	5.013	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(Br)c1	2113613224	OVHVTGLREINDNF-QGZVFWFLSA-N	419.407	5.113	10	10	HKCE	
CNCc1ccc(N(C)[C@@H](C)c2cscc2Br)c(Br)c1	2186584001	DCEMVDQOFXDDHE-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)CC2CCC2)ccc1CNC1CCC1	2231463688	RLBMNRQUMLWXDM-UHFFFAOYSA-N	413.403	5.898	10	10	HKCE	
Cc1cccc(COc2cccc(C=C3SC(=S)N(c4ccccc4)C3=O)c2)c1	2293500560	CJGDFVIUCCYYHA-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	2295934242	NJNWBYGRQCXUMN-UHFFFAOYSA-N	424.591	5.232	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC	2296908778	GPAUANCOFKYOBM-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
CN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2Cl)SC1=S	2297347368	FMWHSMLDWUGMCW-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	2313610175	TYAOZKMLWXAVAR-ZDUSSCGKSA-N	401.384	5.464	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1	2321569962	WEUAFWNMSQWCFF-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)ccc1OC	2321569965	ZDVKJQOQVRAMES-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CCC)cccc1OC	2332117417	DSNLIIOUJOYSKO-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
CCc1cc(Br)c(CNCc2ccc(C)c(Br)c2O)s1	2380812097	RRQLOMUEKUDWTF-UHFFFAOYSA-N	419.182	5.139	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	13634810	CKNWVHCRDLOQQJ-BXWFABGCSA-N	403.263	5.126	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635686	FAYSCGOUXOOHSD-YZUZCNPQSA-N	402.538	5.538	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)s1	14456655	RGCLBNXLBLDDGH-FZOAFFARSA-N	414.574	6.752	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469147	XBUXYFZDGWNJAA-SDMYACPNSA-N	407.510	5.624	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476811	ZYHIBTIYJOIMNB-RXYILKCJSA-N	424.544	6.441	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544390	KABMSHVAWOAWIJ-UMTXDNHDSA-N	415.533	6.090	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547061	SRISMDXKOXIWMI-LRAJWGHMSA-N	415.364	6.348	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)c1	14550408	RHRNWTZKVCXPQX-ZEVJAHDQSA-N	424.544	6.391	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(/C=C1/SC(=S)N(Cc3ccc(C)cc3)C1=O)=C2	33523520	CGILGKSDVPMYMO-RVZJCZPVSA-N	423.559	5.112	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=S)N1c1ccccc1	35517941	UKJLYILXZKNKNW-PDGQHHTCSA-N	408.460	5.897	10	10	HKCE	
COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	169681536	LPGAGUCQEXUGTO-CVDCTZTESA-N	422.868	5.002	10	10	HKCE	
Oc1ccc(N=Nc2ccccc2)c(N=Nc2cc(O)ccc2N=Nc2ccccc2)c1	1081817125	VASNUSURBQADNP-UHFFFAOYSA-N	422.448	8.344	10	10	HKCE	
Cc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084637289	BREIPLSBODWXIB-IRCCAMOTSA-N	400.507	5.937	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590627	BFQISIYQHBNWJN-SRZZPIQSSA-N	405.588	6.010	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccccc3OC(C)C)C2=O)cc1	1865675943	INQBTACFCQZOHY-QJOMJCCJSA-N	412.489	5.317	10	10	HKCE	
CCCCOC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c1	1874152400	YWRLUAHWYDAFIA-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
O=C(O)CCCCN1C(=O)C(=Cc2ccc(-c3ccccc3F)s2)SC1=S	2040498415	JQTZJFKTDCORSF-UHFFFAOYSA-N	421.540	5.010	10	10	HKCE	
Cc1ccc(Cn2nc(C3CCC3)c(C3CCC3)c2I)c(O)c1	2079837226	UBMBIGRUOCSAOW-UHFFFAOYSA-N	422.310	5.085	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCC[C@H](CNCc2cc(Cl)cc(Cl)c2O)CC1	2295248082	PIYULRIGRONPME-AWEZNQCLSA-N	417.377	5.216	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	2296537496	RAVCGFIAIJFNBI-UHFFFAOYSA-N	423.538	5.288	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	2321586585	VLDNOGMFWXNMPC-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321638176	JJMUFIXXVMJAKF-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc(C)c3)SC2=S)c1	2321717799	DEFJMZAIMOTTLG-UHFFFAOYSA-N	411.548	5.358	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2321734035	KGHWQQFKLFUMPY-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323681502	VGCWWICOJATJSN-PCBIJLKTSA-N	422.413	5.475	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099249	ALLGLOFTVKWONG-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125441	BRQLECLIWAKDFJ-UHFFFAOYSA-N	406.526	5.373	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OC	2332125690	DDSRJCQANOGQPP-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1	2332139859	ASGUOSOXZJEAGG-UHFFFAOYSA-N	409.533	5.515	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3ccc(OC)cc3)C3CCCC3)ccc21	3057287	FELBSOKPZKIVMR-UHFFFAOYSA-N	423.626	5.609	10	10	HKCE	
CCOc1cccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)c1O	11839439	XFDRSUJNICMAMR-KRWDZBQOSA-N	401.510	5.289	10	10	HKCE	
CN1/C(=C2\SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21	12417171	WTLQVBKQPPRBCM-LSDHQDQOSA-N	415.543	5.865	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2)c1ccccc1	13636424	RVFYONGXHULWEF-XFAFFCHDSA-N	424.544	6.188	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14476127	FOCDJZBLCJDQSN-AXHZCLLHSA-N	414.461	5.706	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1	14550567	OTEAYUHANJMWNS-RQTOMXEWSA-N	402.538	5.394	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1	14553698	JCOQWWCACTYOLS-ZEVJAHDQSA-N	410.517	6.082	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(O)cc2)[C@@H]2CC=C[C@@H]32)cc1C	20679966	OMDUBRZPWRARLR-TZBSWOFLSA-N	410.517	6.088	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	36559270	WARLQDDPAIVKEA-SFYKDHMMSA-N	422.575	5.400	10	10	HKCE	
CCOc1ccc(/C=C2/SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc1OCC	96835995	GLSICHSEFNINCB-CPNJWEJPSA-N	416.930	5.244	10	10	HKCE	
O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	208142688	LBMVLZDGBAIZCU-MHWRWJLKSA-N	407.322	5.756	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2)c1ccccc1	226790320	XSDKGJMCKGYONJ-FKCDAAJZSA-N	424.544	6.188	10	10	HKCE	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1N=NN1CCC(Cc2ccccc2)CC1	254764352	OFVBUXKNWJYEQA-UHFFFAOYSA-N	420.513	5.307	10	10	HKCE	
CCCCCc1ccc(OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	254833073	GNCXIESHUUZZSO-UHFFFAOYSA-N	401.510	6.852	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)c1	1858590727	GJTKBCONCKFZLI-WOJGMQOQSA-N	403.956	5.529	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Br)ccc1F	1865673497	HKUISIXEGZPJBA-LDADJPATSA-N	409.258	5.548	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1CC	1865674812	ZQZZJXWSVYHACS-GHRIWEEISA-N	417.336	5.974	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1	1866083687	GHEIEUYSEQSZMZ-UHFFFAOYSA-N	421.294	5.621	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)c(Br)c1	1915198735	PNPMWVUPAUDECL-JOCHJYFZSA-N	419.407	5.116	10	10	HKCE	
CCN[C@@H](c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O	2090043669	XGDMNOVUQJOCBI-SFHVURJKSA-N	421.335	5.201	10	10	HKCE	
CC(C)NCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(Br)c1	2129817159	HOSHRXZLWZUIKF-FQEVSTJZSA-N	417.391	5.133	10	10	HKCE	
CC(C)CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	2293490526	STMKAKGNQXWOIU-UHFFFAOYSA-N	414.461	5.477	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccc(C)cc2)C1=O	2314836572	GYEYMIAYXOLLBB-KRWDZBQOSA-N	422.575	5.170	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCC	2323790887	SDHISBGVBDAQCR-DOTOQJQBSA-N	419.612	5.654	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118475	PKOIGNQULOBMHM-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1ccncc1	12247757	CSNJERUOZDSAHA-QFIPXVFZSA-N	406.507	5.063	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639449	WZXLIOXLIPNFBD-WFXMLNOXSA-N	411.343	5.415	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469498	RREJBUYWDSIKMV-OARDWFSCSA-N	424.544	6.075	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)ccc21	20684452	NZEXAJXHGNEMQC-DZTNWFRXSA-N	409.489	6.549	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764333	UKABBQGHTWZMPB-ZJSXRUAMSA-N	424.903	5.806	10	10	HKCE	
Cc1ccc(N[C@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)cc1	59381966	SXIOSUZPKPFQMQ-JOCHJYFZSA-N	409.316	6.757	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385580690	VPTMXTQFSQTEQU-IRXDYDNUSA-N	401.392	5.925	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1C	526222935	BPCQNVKHQQAQNH-XMMPIXPASA-N	416.496	5.566	10	10	HKCE	
Cc1cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)ccc1C(C)C	526538479	XBZBAECOKNFTIB-JOCHJYFZSA-N	421.518	5.648	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(N(C)C)cc2)cc1	526560270	CMPGHEFSAGQXSC-QHCPKHFHSA-N	420.459	5.396	10	10	HKCE	
CC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526612590	UDRVMWGFRBJQPO-JOCHJYFZSA-N	418.518	5.074	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)c1	1865668955	YPIZKFUGCIIMMB-MOHJPFBDSA-N	412.489	5.319	10	10	HKCE	
C[C@@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	1868169088	OJRVXISNQYWUDN-AWEZNQCLSA-N	403.865	5.248	10	10	HKCE	
CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	2053466832	LWYSVZHGJYWIGJ-UHFFFAOYSA-N	423.538	5.290	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)F)c(C=O)c2Br)C(C)(C)C)cc1C	2080038554	RYQBUNURJOTIFN-HNNXBMFYSA-N	415.278	5.354	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2095838888	FSAPPLKPVPGODD-UHFFFAOYSA-N	415.419	6.146	10	10	HKCE	
O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)c1	2297295905	XTYZAFJGFIELSU-UHFFFAOYSA-N	413.520	5.179	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=S)N(Cc2ccccc2)C1=O	2297312282	QSEHFXNWKBICLU-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
O=C1C(=Cc2ccc(SC3CCCCC3)o2)SC(=S)N1c1ccccc1	2297499226	HUOZGZVCAPDSSX-UHFFFAOYSA-N	401.578	6.110	10	10	HKCE	
Cc1c(Cl)cccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2318775646	DXFJCWKNUCRACT-UHFFFAOYSA-N	404.945	6.054	10	10	HKCE	
CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccccc3C)ccc21	3057245	UKEJSQXUFWKCOR-UHFFFAOYSA-N	411.615	5.003	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544512	OHGXMLZVAOGPCS-LGVUCKNBSA-N	412.533	6.414	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545210	CXHOOXHXZYMGKG-JDRJUVJTSA-N	405.501	6.247	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549137	VJVBPOWBQPHFRH-WOVHNISZSA-N	422.484	6.736	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21)N1CCCCCC1	20705253	UIFDJJSMJVRYOT-ZRCGQRJVSA-N	417.509	5.438	10	10	HKCE	
CC[C@@H](N[C@H](C)c1ccccc1Br)c1cc(Br)ccc1O	36945605	HYRSOKWSMLUYCZ-BDJLRTHQSA-N	413.153	5.719	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(F)cc1Cl	71815298	DPXFMRQIAWRDEL-QHCPKHFHSA-N	405.856	5.857	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	251478773	NZVQHNPIDDLHCY-PLXFJCCSSA-N	408.545	6.094	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl	526422277	RYPSQWAKSQEHOG-NRFANRHFSA-N	424.953	5.833	10	10	HKCE	
COc1ccc2cc(/C=C/C(=O)N(Cc3ccccc3)c3ccccc3)c(O)nc2c1	1858097806	LYQHYMBZHHPVEZ-FYWRMAATSA-N	410.473	5.196	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC	1860083859	AJRSNODDDRIFFT-DEDYPNTBSA-N	413.564	5.623	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1	1860084703	CUWVVQLFYLTPBY-CXUHLZMHSA-N	422.344	5.611	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1	1860087599	JAVLJNWOWBBIBU-MHWRWJLKSA-N	402.522	5.031	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865664707	VSDLQTVXUGQBQB-WQLSENKSSA-N	403.162	5.481	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1	1866083768	MAUABGJEEHAFFY-UHFFFAOYSA-N	423.266	5.822	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1C	1874141167	ZPNMHAMUNXSXQT-UHFFFAOYSA-N	411.505	6.099	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)Cc2cccs2)c(Cl)c1	1915399685	CFKHITOXZARIFS-UHFFFAOYSA-N	400.975	5.344	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2ncc(C3CCCC3)c2I)cc1C	2070247108	RGUXCRXOBVXEBQ-ZDUSSCGKSA-N	410.299	5.077	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1	2296879846	FZWZMHPPIMPAKE-UHFFFAOYSA-N	416.955	5.010	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1	2318683697	QKNUQVIHDAILMH-HXUWFJFHSA-N	408.592	5.033	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323790651	AXIZNTMHWJHNBB-IINYFYTJSA-N	414.365	5.368	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(F)cc2F)cc1	2332129475	FZBXHBWQJWPSCK-UHFFFAOYSA-N	404.416	5.116	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462277	QBORNAJWSJUHFN-PLXFJCCSSA-N	417.597	5.889	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc4ccccc24)[C@H]2CC=C[C@H]32)CC1	14464231	QRSKBPNEYOQXRJ-KJOQGJGQSA-N	423.560	5.054	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2)c1ccccc1	14548993	YBBVWSWBIPMBOB-JXALWOEJSA-N	400.547	6.241	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549528	GFHSEJCZHZSXCA-VYKTZEHYSA-N	418.540	6.521	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764553	KFXUAGFVRDWBHE-JTHBVZDNSA-N	410.876	5.416	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	226642783	OAICMBVHVXZLMP-CKNLXJGOSA-N	406.309	5.846	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226889714	PBHZTCFXLNLYRS-YPCDYVTLSA-N	401.506	5.787	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900439	UMMMYUUJAWCKLE-AHPZMPFVSA-N	421.540	6.845	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526401067	SIUZUNPBQOLBTK-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CC1=C[C@H](N=Nc2ccccc2[N+](=O)[O-])C(=N)[C@H](N=Nc2ccccc2[N+](=O)[O-])C1=N	585341672	GMJVNQZGAAVHPY-IFXJQAMLSA-N	420.389	5.107	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)c1	1858591516	QXOQNMBWAHJOMJ-WOJGMQOQSA-N	403.956	5.529	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	1865673293	XGXMOJIHRDSCEZ-HZHRSRAPSA-N	423.472	5.020	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(Cl)cc1	1866245820	HWFYJUUZVQGUIN-SUMWQHHRSA-N	419.974	6.318	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2095951289	YKSVUCBZTVAIQD-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100218540	DOSNPJNBIYIGRE-LPTQZCDUSA-N	418.375	5.323	10	10	HKCE	
CCc1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2296734193	SXXWMEMZHPQJGN-UHFFFAOYSA-N	423.390	5.827	10	10	HKCE	
O=C1C(=Cc2ccc(Br)o2)SC(=S)N1c1ccc(Cl)cc1	2297303450	VDGMKWYSFIMGHQ-UHFFFAOYSA-N	400.706	5.101	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc(C)ccc1C	2297512215	MFVMMKBFSQDHKO-UHFFFAOYSA-N	408.716	5.982	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CNc1cccc(F)c1	2313503326	YNKACNNIPWSVHC-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S	2323850694	CCCUXSVEGUZTET-KRWDZBQOSA-N	421.628	6.044	10	10	HKCE	
Cc1ccc(CN[C@H](C)c2cc(Br)cs2)c(O)c1Br	2352675404	GFKKAZCZGZOYGZ-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21)N1CCCC1	8854672	UNOROEPJHJHSTA-WFXMLNOXSA-N	423.354	5.512	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@H]4C=CC[C@H]43)ccc21	13642421	CFNNYDINKZDUJP-SRLOGKKOSA-N	423.516	6.858	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	14467417	ZYAHZYHVASKGLP-YNHOBRIKSA-N	401.120	6.832	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468938	QFJTUWSYRVNWSM-WOVHNISZSA-N	421.537	5.872	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477200	XMVQNDKFYYASCP-PONJGIIJSA-N	404.337	6.235	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479674	SDBMTHPUNUVJGX-IECBHUPTSA-N	406.526	5.060	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@H]21	14546185	QBOZCCQNVCNLGQ-XLNZFTOWSA-N	402.538	5.538	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549258	PDVXXLUOGCQMHN-RLSLOFABSA-N	416.351	8.126	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20714348	PZNXHXGZKLDVCA-PLXFJCCSSA-N	408.545	5.794	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21	20718784	UVBLWEFQRJIXOF-PRCFCKQXSA-N	406.323	6.437	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226785145	HSAMPRTZNOBWDC-SLSDLSHTSA-N	402.538	5.538	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226803120	SDOVKRGHZITIAY-UMFSSWHCSA-N	418.537	6.771	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C)N2	226887192	DVOVSJWJOXWVFW-OTNCWRBYSA-N	424.610	5.632	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	705536795	DCHHSHUBFITTLT-IBGZPJMESA-N	412.499	6.583	10	10	HKCE	
CC1(C)CC(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)CC(C)(C)N1	1858589664	DUJVAUGYRNOWNZ-LDADJPATSA-N	416.656	5.495	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OCC	1865665191	GFAHZVJTACOHKL-RCCKNPSSSA-N	408.498	5.079	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2cc(Cl)ccc2s1	1874179730	MSWVHBVZCQJMQS-UHFFFAOYSA-N	417.873	5.582	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	1927006197	RYXMCDPYGXKVQU-LBPRGKRZSA-N	411.329	5.897	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034660192	GERSZFSHUNDKNP-QGZVFWFLSA-N	402.376	6.089	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2034701296	BDVWHMYYDCYZJK-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
Cc1cccc([C@@H](C)n2nc(C3CCCCC3)cc2I)c1O	2070177456	YQKVJXMSPNACRF-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080023748	ZFXUMFKCNJAQSQ-LJQANCHMSA-N	420.981	5.969	10	10	HKCE	
C[C@H](NCc1scc(Br)c1Br)c1ccc(N(C)C)cc1	2150565672	VDEMUTZIYXTGLB-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC	2294623706	VWBBHIJMRFHHAD-UHFFFAOYSA-N	423.918	5.292	10	10	HKCE	
CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296711352	PYMKQLKALAPBQE-UHFFFAOYSA-N	419.575	5.541	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	2296968847	LLJZJAAICNRPKR-UHFFFAOYSA-N	417.321	5.178	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1C(F)(F)F	2313610151	SPHUNILQUAQRGW-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332114720	JOBDMXVBCHNEPJ-UHFFFAOYSA-N	416.443	5.518	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13636010	BWTCIPRBTGXEFJ-BXTSTYNKSA-N	411.545	6.533	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	14543697	YUIILSZECHYCFA-ZEVJAHDQSA-N	416.565	5.784	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	14549975	DYZKMTHQMWCNJX-SGIRGMQISA-N	412.508	6.319	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702248	DFKWPEHUBLAELQ-PZPWOCDFSA-N	404.293	5.754	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753368	VJVBPOWBQPHFRH-YPCDYVTLSA-N	422.484	6.736	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccccc3C(F)(F)F)c3cccnc3)c(O)c2n1	54619583	BSBGLTSSOQLTPR-HXUWFJFHSA-N	409.411	5.864	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	58136014	CEIZJVZHYXWUKT-RCZVLFRGSA-N	420.940	5.839	10	10	HKCE	
Cc1ccc(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1	96576513	MLWCAHWUQXBSMW-YBFXNURJSA-N	414.313	6.623	10	10	HKCE	
CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccccc2)c1CNc1ccccc1	606654506	FETVWRKAMVSGJE-UHFFFAOYSA-N	424.544	6.550	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858595446	BLPZHXOHHGOZFL-DTQAZKPQSA-N	416.534	5.029	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)c(Cl)c1	1860073419	CYZGUWBIMVGKND-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC(C)C	1865675927	HNKBXUCOUHMSGM-SFQUDFHCSA-N	417.336	5.972	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(C)N=C2C)ccc1OCc1c(Cl)cccc1Cl	1865676886	PSBMNIXYPIDNSU-XNTDXEJSSA-N	419.308	5.202	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2C)cc1	1874127257	XFRWSQVACIODKH-UHFFFAOYSA-N	403.526	5.345	10	10	HKCE	
Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891264351	COLQEAKCESFZSU-WMZOPIPTSA-N	409.580	5.099	10	10	HKCE	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(Cl)cc1Cl	1891343346	AGMSFJJTNLTIQB-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
CNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1931967328	OFXDBGHVRLKPSW-UHFFFAOYSA-N	407.989	5.198	10	10	HKCE	
CCN(CC)c1ccc(C=C2C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1	2040415076	XFVOSKATXDUXTO-KRWDZBQOSA-N	400.522	5.902	10	10	HKCE	
CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	2156495623	AHYDFQXYCWHQDL-CZUORRHYSA-N	417.377	5.262	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cc1Cl	2234175872	GNNBJMIMGPUPGG-STQMWFEESA-N	414.293	5.302	10	10	HKCE	
Cc1ccc2[nH]c(C)c(C=C3C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)c2c1	2297499410	BMIGRDZGFMQMRY-UHFFFAOYSA-N	416.481	5.228	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1	2313510528	OGRVBRXQMUDSLT-UHFFFAOYSA-N	413.256	6.243	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1OC	2332124549	NMYISELCSHEMET-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1	2332144649	BEYPVSSZQTVMKD-UHFFFAOYSA-N	420.252	5.194	10	10	HKCE	
Cc1ccc(CN[C@H](C)c2cscc2Br)c(O)c1Br	2352682312	ZMHRJSBNBVLVPU-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(Br)cc2F)c(O)c1Br	2380747529	VEPFOJHJAJVFKQ-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21	13637334	MCQACANGXHKRHK-FBLLAGFSSA-N	410.517	5.191	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462256	TTZKGCXNHHMTIU-HWBMXIPRSA-N	403.570	5.954	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476321	NHBQZWSNVHRRKJ-CTVOUCONSA-N	424.588	6.938	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14478825	NROZZHJTSDCNTP-HWBMXIPRSA-N	400.566	6.226	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550329	UGQFYUCFTBJTQR-SGIRGMQISA-N	410.517	5.452	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551085	LTULJTYUFQZWEU-DPLHUUCSSA-N	419.525	5.684	10	10	HKCE	
CN1/C(=C2\SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccc(Cl)cc21	15945030	ZKLWNRAIXBCVFA-JQIJEIRASA-N	408.932	5.255	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764046	ASYANBUBEYKZPT-NFBKMPQASA-N	410.876	5.416	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764664	ONSARHIYDRMGNN-DHLKQENFSA-N	404.485	5.461	10	10	HKCE	
COc1ccc(N/C=C/C=C\C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	38186605	CQGIAKZJJVZZJA-KQDMBSMGSA-N	408.548	5.121	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363219	CEIZJVZHYXWUKT-RDGATRHJSA-N	420.940	5.839	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364025	PPMFAYLSHFELLR-JYFHCDHNSA-N	418.512	5.715	10	10	HKCE	
Cc1ccc(C(=O)Nc2cccc(/C=C3/SC(Nc4ccccc4)=NC3=O)c2)cc1	96663328	RYLKXXWEQWFHMJ-RCCKNPSSSA-N	413.502	5.330	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226690841	SAEGMNSIGXCYQW-XFQAVAEZSA-N	403.353	6.372	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526150547	SYTWYXLTNCYKLX-QFIPXVFZSA-N	422.525	5.791	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1cccc2ccccc12	1865680110	XXCCVJURANZVQR-QJOMJCCJSA-N	419.440	5.583	10	10	HKCE	
CC(C)[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	2290019725	USAVBMSZQOPPIU-FQEVSTJZSA-N	417.377	5.214	10	10	HKCE	
COc1ccc(C=C2N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1	2313671143	JIGMVKRLWQZUFQ-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2cccc3ccccc23)C1=O	2321698289	SEOODVJKWKZCKO-UHFFFAOYSA-N	421.572	5.572	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccccc2F)cc1	2332096389	BCHWFGDHXLTPGU-UHFFFAOYSA-N	422.459	5.822	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140710	DEAIDLMAOZNDAG-UHFFFAOYSA-N	413.226	5.814	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(Cc2ccccc2Cl)N=C1c1ccccc1	2332143091	FHFMMZAPSHNAEV-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459340	VXTSSIMMENZDSL-OREGWCPLSA-N	419.565	6.577	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546974	CHJYDZYFTNCEBY-WEBUEUPWSA-N	404.337	6.235	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698045	VTAIQAXVQAPZJK-RQTOMXEWSA-N	400.566	6.263	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226660255	WYVIADBTFOYGGG-QQNWGBJXSA-N	410.561	6.201	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	251016890	HJCSCNGVPBNESZ-VBANMALSSA-N	414.593	6.310	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OCC	1865665355	OZNVFBSJXSSCRI-DEDYPNTBSA-N	412.917	5.724	10	10	HKCE	
COc1ccc(OC)c(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	1865668046	CJCIXVQSHWVSHV-CYVLTUHYSA-N	418.880	5.192	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC	1865669604	RFTULYFQEZAPGJ-WJDWOHSUSA-N	412.452	5.064	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cc1	1865670323	UAZYCGLWGCVTRP-XIEYBQDHSA-N	418.581	6.454	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F	1865676263	ZCFNKVHBXZBNMO-BOPFTXTBSA-N	422.834	5.471	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865678943	MIXFGDFBDBFMLE-ZSOIEALJSA-N	418.724	5.707	10	10	HKCE	
CCc1sc(NC(=O)[C@@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1	1865961430	DKYGNFYIHVILQC-NSHDSACASA-N	424.360	5.511	10	10	HKCE	
COC(=O)c1c(NC(=O)c2n[nH]c3ccc(F)cc23)sc(C)c1-c1ccc(C)cc1	1866136394	QZMDDTHPQTWDSB-UHFFFAOYSA-N	423.469	5.086	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1O	1946822595	POYFUKSHIPMMEK-JOCHJYFZSA-N	417.597	5.201	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)c(Br)c1	2231455111	SCPRTHQJDMWKBL-UTKZUKDTSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=CNC2CCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	2296975664	UDNCYXIBHGPZSL-UHFFFAOYSA-N	416.550	5.244	10	10	HKCE	
N=C1C(=Cc2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC=CN12	2297348217	VAWTUJWOEKDPMO-UHFFFAOYSA-N	403.488	5.361	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125627	XAICSCAKCYOMRI-UHFFFAOYSA-N	412.917	5.722	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457567	LHEPLQWUIOJSOG-RLSLOFABSA-N	412.489	5.480	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)N1CCCCCC1	14460667	RTHGAVSKAPUXQI-HFMPRLQTSA-N	406.957	6.183	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461111	LFFRELXJVASXJQ-PNLZDCPESA-N	414.343	6.016	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464304	LHWVDCKLQWMYCU-JDBUMTGOSA-N	403.525	7.245	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	20699375	KKAKMUZPCJDASB-TXTKFYIRSA-N	400.909	6.419	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20700732	VYFHAJIFQGROAA-IPVFLDMMSA-N	407.985	7.516	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	34981514	IAOCABCBWZPJLS-OABJIQBASA-N	407.560	5.604	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1	53363123	LRJGRPNDSGZUHH-RDGATRHJSA-N	402.494	5.022	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	226906383	YJMSLJBCHNFLRA-HMFYCAOWSA-N	414.596	5.186	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1858590776	IKCVQBDINKKMNB-OVCLIPMQSA-N	424.330	5.093	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1	1860073498	KVSJJKYQTPQXLD-LDADJPATSA-N	418.971	5.298	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3c[nH]c4c(ccc5ccccc54)c3=O)cc2)cc1	1866077800	ZHBRLVAQFSOOGL-UHFFFAOYSA-N	419.484	5.107	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)c2C)cc1	1874148004	YCRJSDYGEJYDKO-UHFFFAOYSA-N	401.554	5.891	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	2034827862	QICOGWHDDXCASP-KRWDZBQOSA-N	401.392	5.752	10	10	HKCE	
CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)c(Br)c1	2231455109	SCPRTHQJDMWKBL-DYESRHJHSA-N	419.407	5.115	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1	1028564	FZWZMHPPIMPAKE-GZTJUZNOSA-N	416.955	5.010	10	10	HKCE	
Cc1ccc(-c2cc3c(n2-c2ccc(Br)cc2)CC(C)(C)CC3=O)cc1	4884978	GPJVHVPGLHRBNQ-UHFFFAOYSA-N	408.339	6.370	10	10	HKCE	
CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	6022374	WWFVAIXZPACOBJ-NRFANRHFSA-N	424.493	5.233	10	10	HKCE	biogenic
Cc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456741	WWXLKKHAKXHQCP-AOJNWGRGSA-N	401.575	6.895	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2	14458489	ORUGAZWKJBKIKU-FBLLAGFSSA-N	424.610	5.632	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14462015	GBHQWQRRVLANQX-IPVQETTRSA-N	418.581	5.917	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462263	GOYHTTGLZQDZCM-WCYRKSIYSA-N	417.597	6.344	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477863	ZUALTXITNSUANZ-WJONJSRFSA-N	401.337	6.559	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(O)cc2O)N3)c1	14553521	RSMGEHCTVAWPKN-UMEGOILYSA-N	412.489	5.485	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686977	BYQLXYQTNLDCAL-SKVJQKLOSA-N	424.588	6.591	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	20756165	YSRRZNWAXAEHME-GKAFBRTNSA-N	424.544	6.093	10	10	HKCE	
CC1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1	27515553	GWWLJUVNUYUKRW-WOJGMQOQSA-N	421.349	5.956	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226846935	RUGPGDAYVXBFRS-JLHGSKIFSA-N	404.337	6.235	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)c1Cl	226848330	KMFNOGLLGAZPJC-CJKQYIFKSA-N	416.348	6.378	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	251167040	NROZZHJTSDCNTP-RQTOMXEWSA-N	400.566	6.226	10	10	HKCE	
Oc1cc(Br)ccc1CNCCc1ccc(OCc2ccccc2)cc1	691391929	NMKZBGCCKYIJAI-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858590970	RIRGMLMRFYILHI-AOHITCTBSA-N	412.418	6.009	10	10	HKCE	
FC(F)(F)c1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	1860488495	UEVBJUJNHVGWRP-ZQHSETAFSA-N	424.470	6.111	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1cccc2ccccc12	1865672598	FYPITWAOZVLQPX-ULJHMMPZSA-N	413.480	6.156	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C(F)(F)F)ccc1O	2069927866	FVFAXLBCMZCEFO-UHFFFAOYSA-N	418.415	5.278	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CN)c2Br)C(C)(C)C)cc1C	2079987809	YQLITHQOVGECCK-IBGZPJMESA-N	420.395	5.330	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079998390	QDQKZGUGQVTPJD-OAQYLSRUSA-N	416.949	5.693	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C=Cc1ccc(N(C)C)cc1)c1ccccc1	2297550638	GQUDYIZSUMQXEL-UHFFFAOYSA-N	407.517	5.642	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cn(C(C)C)c4ccccc34)SC2=S)cc1C	2297576829	DWMGBYHPRIGLFE-UHFFFAOYSA-N	406.576	6.245	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)cc1	2321592561	KNGHRCHYACDKNA-UHFFFAOYSA-N	422.575	5.925	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	2321647070	FNNJZXDIDCAJBZ-UHFFFAOYSA-N	419.571	6.249	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456738	WWXLKKHAKXHQCP-VRUMLPLGSA-N	401.575	6.895	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456754	LRLYQHWPBGKXIY-MZEQIWSPSA-N	401.575	6.895	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462317	DNAAFAQHAUNIRA-WRALFONMSA-N	417.597	5.888	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480527	LVJOJBZADYEREM-HWBMXIPRSA-N	410.517	6.164	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)c1	14553529	IGKQAVUYESVTGK-OASJLCFRSA-N	423.560	6.140	10	10	HKCE	
Cc1ccccc1NC(=O)N(Cc1cc(C)n(-c2ccccc2)c1C)C1CCCC1	20413808	FWXVTMIZZHDKBN-UHFFFAOYSA-N	401.554	6.379	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCCC1	20704398	FOWVGAXGMRCUHO-WHSLLNHNSA-N	423.900	5.311	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226808059	IXMXBZPVLMBHOD-UMFSSWHCSA-N	413.517	5.980	10	10	HKCE	
CC[C@H](Nc1c(F)cccc1Br)c1cc(Br)ccc1O	232121064	WQXHOPPWVNRRBA-ZDUSSCGKSA-N	403.089	5.620	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	250519420	ADFXOXFARVPWJV-IAMHBRQHSA-N	412.274	5.599	10	10	HKCE	
O=C(Nc1ccccc1)c1cc2ccccc2c(N=Nc2ccc([N+](=O)[O-])cc2)c1O	254750957	VZEZEKXEFKSTBJ-UHFFFAOYSA-N	412.405	6.121	10	10	HKCE	
O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N=Nc2ccccc2)cc1	256026231	RSNLBOFUARJZRM-UHFFFAOYSA-N	405.457	7.183	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526168818	HWJSRBZZRUPWSH-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	1858588583	NINZZJBSLSBCKF-QDBLRFBHSA-N	414.640	5.559	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	1860084243	RYMRLONGEZDPMG-VCHYOVAHSA-N	419.955	5.462	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cccc(OC(F)(F)F)c1	1860087497	BKEWOIYBGATQFJ-RIYZIHGNSA-N	415.845	5.644	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2N)sc(C)c1-c1ccc(C)cc1	1866122122	CKZJXVNEPQPUKM-UHFFFAOYSA-N	414.914	5.306	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(CCc4ccc(Cl)cc4)[nH]c3c2)c1	1872807312	HTIUFVOHAFOHHY-UHFFFAOYSA-N	418.928	5.320	10	10	HKCE	
Cc1ccc(-c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1	1892110582	UMVRWEKKMWANCC-UHFFFAOYSA-N	406.532	5.586	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(Cc3cccs3)C2=O)cc1OC	2040483656	DFCQLDHXDIWHOR-UHFFFAOYSA-N	419.593	5.337	10	10	HKCE	
CCCNCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)cc1Br	2129804462	ZOGBNAPDATZQOJ-OAQYLSRUSA-N	417.391	5.134	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S	2293500047	KQAGOAXFVFUWHS-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CC1=NNC(=O)C1=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1	2314482927	ZTCJDYGANOWPFG-UHFFFAOYSA-N	404.473	5.095	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323681501	VGCWWICOJATJSN-DSRCVFDASA-N	422.413	5.475	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S	2331594932	TYKSIURIUQYVJE-UHFFFAOYSA-N	417.983	5.776	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)c1	2332119238	RDCUMVCWFBXAIL-UHFFFAOYSA-N	410.517	5.614	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134630	REYVQCPAFTVNGE-UHFFFAOYSA-N	405.841	5.598	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccccc2O)cc1	2332140601	UZXAAXZTUDERHH-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)CC1	14466650	UTGCFBIVQZOIFW-AXHZCLLHSA-N	406.957	6.039	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14547804	PSPKOIWPHPRLLE-AWVRMFGXSA-N	405.497	7.164	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c(C)cc(C)cc2C)N3)c1	14553546	HOPAZTXKFYSWTA-VYKTZEHYSA-N	422.572	6.999	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl	17083322	OMMLECTZGGCBJI-XDHOZWIPSA-N	406.288	6.021	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)/C(=C/c2ccco2)S1	54201156	UNMXPQYLSSVCFA-IAFWPLRWSA-N	415.474	5.443	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	226910697	BOUFHCQDRIXCRF-PQNGQFLHSA-N	411.461	5.674	10	10	HKCE	
CCCN[C@H](C)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(Br)c1	384106562	DPQDGCNULSXYGS-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1	1084359522	PIGDSVGFADCIHR-KRWDZBQOSA-N	415.559	5.742	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	1860084726	FYNFKLROKFLSGT-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccc(F)cc1	1865658420	HUFKZWQXIDABAJ-UQQQWYQISA-N	406.460	5.809	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664463	DQQAYTOUPAKYRO-GXDHUFHOSA-N	424.125	5.952	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)c1	1865668570	FPLWSTJWQPPBRW-UYRXBGFRSA-N	402.416	5.128	10	10	HKCE	
CCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O	1865674784	YBXBCHVVGBIIRL-WJDWOHSUSA-N	408.807	5.083	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)cc1OC	1865678723	AZOHKNSNTJGXDH-OQLLNIDSSA-N	405.281	5.207	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679413	LVUKXFFGMGBDEB-BUVRLJJBSA-N	416.908	5.721	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)sc(C)c1-c1ccc(Cl)cc1	1866035690	SPFQDAABCFKBJE-QRTARXTBSA-N	415.942	5.704	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1	2053471694	JNKRGBXMDYOORE-UHFFFAOYSA-N	422.463	5.485	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321601638	NCWPFLGTAHLVIV-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	2321698120	GQIUSUPLXWJFDA-UHFFFAOYSA-N	424.591	5.480	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1	2323802620	QDYRUUUFPSSCJL-UHFFFAOYSA-N	404.645	5.949	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nc(-c2ccc(OC)cc2)cs1	646880	IYOUTSWJMMWHGS-FQEVSTJZSA-N	423.563	5.482	10	10	HKCE	
O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1c1ccccc1F	1151169	KTTFZMBZKIFQAS-ZSOIEALJSA-N	412.280	5.133	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1	1247182	ARVQMJPZTGVQKA-FRKPEAEDSA-N	405.331	5.881	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccnc1	13546856	FIXRKJFLAMFVTB-AQTBWJFISA-N	403.279	5.315	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21	14463340	SKJYQIUEEUDETF-IMSXRSKXSA-N	404.554	5.403	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2	14478760	DVOVSJWJOXWVFW-RQTOMXEWSA-N	424.610	5.632	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@@H]21	14545587	MNNVRGLKRFPTLE-ZYLNGJIFSA-N	416.565	5.784	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc(Cl)c4[C@@H]4C=CC[C@H]43)ccc21	20684908	ZOAFEALLCNOUAF-DVHCVUMVSA-N	412.964	7.603	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	33469649	KJJLGRBTKUKUMG-MJJUSULESA-N	417.321	5.178	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=S)N1c1ccccc1	34106464	NJVJPYNIJMQHRF-PDGQHHTCSA-N	408.460	5.897	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	311309141	QONGVRLCTMBRQE-JKSUJKDBSA-N	403.350	5.015	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	586479959	HLMLLTWRTUQCCR-ZDPZECHZSA-N	405.494	5.471	10	10	HKCE	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1858586355	BEFWJWAQNHLPST-GZTJUZNOSA-N	424.374	5.446	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)c1	1860083933	GLMXBJYZOAVVSN-CXUHLZMHSA-N	420.899	5.053	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cn(C)c4ccccc34)C2=O)c1	1865670593	HVUXWTUEWWUIBN-XYGWBWBKSA-N	419.528	5.625	10	10	HKCE	
CCN(C(=O)C(C)(C)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)c1ccccc1	1866212888	FUAWIMXCNRRBJM-UHFFFAOYSA-N	417.509	5.079	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080035561	SHOJKGCVJUMMSU-HNNXBMFYSA-N	416.827	5.054	10	10	HKCE	
Cc1c(NCc2cc(Br)cc(F)c2O)ccc(Br)c1Cl	2202932739	YTFJTPOHVVRLIG-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1Br	2231455538	YKPSHDLIFSUUPA-ZWKOTPCHSA-N	419.407	5.115	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(C)ccc1O	2332105188	GQEQHJRVUDXPRE-UHFFFAOYSA-N	403.309	5.589	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OCC	2332106816	JYEMUFLCFAYTNR-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
Cc1ccc(CN(C)c2cc(F)ccc2Br)c(O)c1Br	2381140116	FXXZQSMYMPUFMH-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc(Cl)c4C)[C@H]4C=CC[C@H]43)ccc21	13642452	UNTZAXUCPOXNRN-CPLYKCMESA-N	412.964	7.603	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459287	YAAJZFBNAGUHDN-BERHBOFZSA-N	413.517	5.849	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14460901	XQCDBINUBYEAEZ-WVQJBOLRSA-N	405.223	5.029	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2	14480058	QPSZXAKZBUHQEO-HWBMXIPRSA-N	424.610	5.632	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(C(=O)NC(C)C)cccc2[C@H]2C=CC[C@@H]21	14544306	XJSNSIUDXATBAQ-DYRZZGSRSA-N	412.533	5.813	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCCC(C)C)cc2[C@@H]2C=CC[C@H]21	14544340	IMRCHIZSMSARRT-MVOZIGHISA-N	413.561	7.100	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14545329	XZCUDOSWRGYLPL-ZYLNGJIFSA-N	410.517	6.164	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)c1	14553582	OCTGVUZWDHKZAW-FBLLAGFSSA-N	414.936	6.727	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@@H]21)c1ccccc1	20714831	XTWPCEXGCXDFJV-JQYIIUTOSA-N	408.545	6.488	10	10	HKCE	
Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1cccc(Cl)c1	20943431	RFTHEDKEFZNGNV-UHFFFAOYSA-N	421.850	6.088	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1Nc1nccs1	40645862	OQECKEBKEPOFOQ-OCEACIFDSA-N	418.442	5.744	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3C)N2)c1O	53365021	CUUIRQQHRLBKLC-BVAGGSTKSA-N	416.521	5.330	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C	59396877	QKBOVWQVJFGEGB-NDENLUEZSA-N	413.564	5.505	10	10	HKCE	
FC(F)(F)c1cc(Cl)ccc1NC(=S)NCc1ncccc1Br	244223937	WBMJWPPFHPSSCC-UHFFFAOYSA-N	424.673	5.003	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1	256018691	JBJMHMUXCUKHIO-IRXDYDNUSA-N	419.488	6.662	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	387270183	MTKATISSTYPXHE-QGZVFWFLSA-N	403.408	6.142	10	10	HKCE	
CC[C@H](N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388784633	QXSORFZQGATJLC-CDXJDZJCSA-N	417.391	5.106	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cccc(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916592	BGNVSCKWNIPEQN-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
Cc1cc(O)ccc1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1860084645	YXAXEIHCJXXHIS-OVCLIPMQSA-N	424.316	5.008	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(SC)cc2)SC1=S	1860086431	HIKNXOJYNYDWPE-CXUHLZMHSA-N	407.969	5.476	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	1860087421	WFCJLJHRFZCJFH-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865668191	LCKUTWBSBZKGQU-AQTBWJFISA-N	422.834	5.867	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCCCc2ccccc2)c(OC)c1	1865671038	GSCIZCXUPIKCSU-RELWKKBWSA-N	420.553	5.499	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)F)c(N)c2Br)C(C)(C)C)cc1C	2079837688	ZTVQLICRJIOSKP-CQSZACIVSA-N	402.283	5.123	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1ccc(CN)c(Br)c1F	2186576331	BJUYAMKVEJMNOT-QMMMGPOBSA-N	422.161	5.068	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1Br	2231454910	RCYHTBCXFWSBCG-UTKZUKDTSA-N	417.391	5.133	10	10	HKCE	
Cc1ccccc1COc1cccc(C=C2SC(=S)N(Cc3ccco3)C2=O)c1	2297500092	JDYHHOFSQCHQMP-UHFFFAOYSA-N	421.543	5.568	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)c1	2321717901	HIMMEFXPDKBGQP-UHFFFAOYSA-N	411.548	5.222	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	2321744044	GTHDUALPKVGWDU-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1ccc(CNCc2ccc(OCc3ccccc3)cc2)c(O)c1Br	2352682832	BLFZAVQBADOQGH-UHFFFAOYSA-N	412.327	5.332	10	10	HKCE	
Cc1ccc(CNCc2ccc(NC(=O)OC(C)(C)C)cc2)c(O)c1Br	2352951214	DLVPLXSAFHEUFF-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13638610	CLOCEHIBLPFJOB-OPYAIIAOSA-N	412.327	5.842	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1	13644954	JYKQUFQCEQAVGT-FXSPECFOSA-N	415.581	5.451	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473511	UPPVFOMXOMRVIW-PONJGIIJSA-N	411.889	5.813	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478797	IGVXOLCPDJCEBN-SURPGJSWSA-N	408.545	6.313	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(Cl)cc3)c2)SC1=S	20608715	VNVCMNOIPHZJDR-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	20711997	HLSSFEKAEHXGME-MCFFVMPBSA-N	413.348	6.056	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1	53363084	HIMNHFKOCICJON-ISKFKSNPSA-N	406.913	5.667	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cc(Cl)cc(Cl)c3)c3ccccc3)c(O)c2n1	54621555	VSVKMOBADRCJFG-OAQYLSRUSA-N	409.316	6.757	10	10	HKCE	
CC(C)(C)c1ccc(-c2nnc3n2N[C@H](c2c(O)ccc4ccccc24)S3)cc1	59168432	MWPSBGPJLVQLOD-NRFANRHFSA-N	402.523	5.449	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	96936266	SAPKOBWJHFUSET-RZNTYIFUSA-N	418.729	6.192	10	10	HKCE	
C=Cc1ccccc1CN(C)Cc1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1O	140153928	GBXLOEDHTAIBDO-UHFFFAOYSA-N	401.594	6.443	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCCC1	226897198	SSVOLFUCYIDHME-ZVOVDXHFSA-N	410.517	5.608	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2F)cc1	526203743	OKRXUVOYCFMRCJ-JOCHJYFZSA-N	406.432	5.088	10	10	HKCE	
Oc1ccc(Br)cc1N=Nc1ccc(I)cc1	1084535534	OOPDZNPERXYEHT-UHFFFAOYSA-N	403.017	5.175	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1	1860086190	PJIMTZZMZYQDDF-WOJGMQOQSA-N	414.508	5.035	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccccc1Cl	1865679067	SRWQYMHQKAMDBQ-XFXZXTDPSA-N	418.724	5.707	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)cc1	1865679926	NJCLTYAKBQRVMT-GZTJUZNOSA-N	403.309	5.584	10	10	HKCE	
O=C(CCCc1cccc(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1868175972	VNWNOUMLHTWKFV-UHFFFAOYSA-N	403.865	5.077	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)NC3CCCCCCCCCCC3)c2C)cc1	1874139467	MTRYXIOBLVATSZ-UHFFFAOYSA-N	410.602	6.506	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915513796	XUGLTCLFLMUDIC-YJBOKZPZSA-N	403.364	5.043	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2034782412	KJVZITYNFLKKIO-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
Oc1c(Br)cccc1CNc1ccc(Br)c(Cl)c1F	2092326122	HABZRVSUWSNFCO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1	2133496109	MELVGQITYLNCPQ-GJZGRUSLSA-N	403.350	5.015	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)CC2(CCC2)C1	2151122185	QPRCGUAAWNTBBE-LJQANCHMSA-N	405.369	5.233	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1	2293556268	ASLXMDFMCUGYIZ-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CCOc1ccc(Br)cc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C	2297452877	DFNBIIKFLUIGEF-UHFFFAOYSA-N	419.706	5.307	10	10	HKCE	
C[C@@H](COc1ccccc1)Cn1cc(C=C2SC(=S)N(C)C2=O)c2ccccc21	2297499306	QDAQXLCPSKNFBO-MRXNPFEDSA-N	422.575	5.187	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1	2314769528	ROTKMTMKBUVMAK-SFHVURJKSA-N	411.548	5.011	10	10	HKCE	
CCCCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2CC)cc1OC	2332115004	KYUHXZCOXVJZIX-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S	1099140	HJMXGZCAXKIFFV-DHDCSXOGSA-N	408.317	5.302	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCC1	13639378	MTWZOMYMUFGQCP-JQVVWYNYSA-N	423.354	5.512	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458073	BDSRJJNHYHJJPJ-BOCWGRARSA-N	415.621	7.788	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463113	GHLKUJPNEOUJII-WRALFONMSA-N	415.581	5.024	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470122	PJVYMZRAJVFCTI-SKVJQKLOSA-N	411.545	6.879	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(Nc3ncnc4sc5c(c34)CCCC5)cccc21	19950231	HASSBHCWCYVITQ-UHFFFAOYSA-N	411.486	5.089	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697932	HANFXXQTCRAHEL-PLXFJCCSSA-N	414.593	6.699	10	10	HKCE	
C[C@@H]1c2cc(-c3ccccc3)ccc2CCN1Cc1cc(Cl)c2cccnc2c1O	31572853	VCKCSUDUKVCFAG-QGZVFWFLSA-N	414.936	6.380	10	10	HKCE	
CC[C@@H](Nc1c(F)cc(Br)cc1F)c1cc(Br)ccc1O	115895510	HPJDSPAOICGLJR-CYBMUJFWSA-N	421.079	5.759	10	10	HKCE	
CC[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCCN1C(=O)OC(C)(C)C	383596742	TVZUQPQYNIADSU-FQEVSTJZSA-N	417.377	5.358	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)cc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916738	CPGBOKYTBUZFHG-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(C(C)(C)C)cc2)C1=O	1860085036	HYORYGMAQSKEQA-QGOAFFKASA-N	407.564	5.346	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CCC)cc1OC	1865671735	ARJHGORJXDPZNC-LVZFUZTISA-N	421.541	5.636	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Cl)ccc1Br	1891106646	VOYHIBUGICZADW-YOEHRIQHSA-N	419.750	5.021	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br	1915477830	FLAYYXGUWAZUCC-MRXNPFEDSA-N	405.380	5.161	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079032934	MAQHFUDPKXSSRB-SFHVURJKSA-N	404.938	5.414	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100218537	DOSNPJNBIYIGRE-IPHXSNPTSA-N	418.375	5.323	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1	2313538422	GTNRXXBHMLYRQN-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1c(C)nn(-c2ccc(C)c(C)c2)c1C	2313548509	WTBOWZUQKFWVQN-UHFFFAOYSA-N	413.525	5.133	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1OCC	2321609746	YYVTZULFQXOGTQ-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321635303	LXZGUKAZCCDBLV-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)ccc1F	2321677324	XWMMXLWFECVFCT-UHFFFAOYSA-N	420.534	6.284	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3F)C2=O)cc1OC	2321755920	VRMSORAUNUHMRB-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(Cc2ccc(Cl)cc2)C1=O	2323840481	IUWIKUCTNVXSAK-UHFFFAOYSA-N	419.984	5.067	10	10	HKCE	
COc1cc(/C=C2\C=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl	6181587	SRKUBEJBZMUXKH-DEDYPNTBSA-N	418.876	5.909	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469842	UBWFCBDFUHQSOA-SGIRGMQISA-N	411.501	5.879	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480526	LVJOJBZADYEREM-WRALFONMSA-N	410.517	6.164	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@H]21	14545576	CTJIDYFZTJSCEX-DFIYOIEZSA-N	416.565	5.928	10	10	HKCE	
CCN(CC)c1ccc(CNc2ccc(I)cc2Cl)cc1	57727484	YWAVBJQNCJWYAN-UHFFFAOYSA-N	414.718	5.403	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1O	226683270	YAAJZFBNAGUHDN-VHSZZVNMSA-N	413.517	5.849	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3cc(F)ccc3F)C2=O)cc1OC	1860087189	GNZMRUJPKSWVFX-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865664520	QLZOQIUDHKHGDW-KQWNVCNZSA-N	400.909	6.298	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	1865668036	BWWVQOWNBUSGTM-UYRXBGFRSA-N	420.406	5.349	10	10	HKCE	
Cc1sc(CN(C)c2ccc(CO)c(Br)c2)c(Br)c1C	2237725915	OZOHVFZTMFOQBA-UHFFFAOYSA-N	419.182	5.019	10	10	HKCE	
Cc1ccccc1COc1cccc(C=C2SC(=S)N(c3ccccc3)C2=O)c1	2293285409	KXRMIZWNBLRLNX-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=S)N(CCc2ccccc2)C1=O	2297559921	VEPQWFNWAGWQAV-UHFFFAOYSA-N	424.374	5.446	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CC[C@H](C)C2	2909589	GAMCPJLYXMHYNQ-INIZCTEOSA-N	421.566	5.531	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455922	XYXUIUBORDYJGI-KKLQWCBXSA-N	400.547	5.813	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457490	IKBYAISAGSMLST-FHAGJXEFSA-N	420.553	5.490	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2	14458487	ORUGAZWKJBKIKU-HWBMXIPRSA-N	424.610	5.632	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl	14470604	GAPSBDUVJXYNON-IMWIBFENSA-N	418.880	6.867	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477637	OLKRQNQNWYLUQD-AUSJPIAWSA-N	415.364	6.348	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCC)cc1)N2	14543745	ZDRKFRPHARMXJA-FXSPECFOSA-N	418.581	6.174	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550371	CAJJNNJSUNCPRK-PPJWLVRDSA-N	424.544	5.794	10	10	HKCE	
Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	14886528	QFWNGGNAPXIZLM-QGZVFWFLSA-N	411.908	5.330	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20713875	PORDYLCTJDDNJN-RQTOMXEWSA-N	416.546	5.622	10	10	HKCE	
O=C(c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)N1CCCCCC1	33031530	ZARMDGNZSDHRTM-UHFFFAOYSA-N	412.577	6.429	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S	59167713	OFLNPHJQJBSJRA-LICLKQGHSA-N	424.374	5.794	10	10	HKCE	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	59397612	COACCSRBNVFIOU-ZHZULCJRSA-N	406.507	5.975	10	10	HKCE	
O=C(CCSc1ncc(-c2ccccc2)n1CC(F)(F)F)Nc1ccc(F)cc1	109623780	SMGSIXSOEIEOGO-UHFFFAOYSA-N	423.435	5.372	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	226897762	QLFXOSTUMUCPNI-VHSZZVNMSA-N	406.485	7.036	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226898427	VLFIQQLCORMUOH-RNHFSVANSA-N	412.533	5.900	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226911788	DOEDBGLTFHOYMH-PQNGQFLHSA-N	408.567	5.124	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)N1CCCCCC1	250823084	ULXFEKTWXZMBAK-DPLHUUCSSA-N	408.567	5.078	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	251353610	NFRMCECCLVHRKN-JDVZNGIOSA-N	415.364	6.348	10	10	HKCE	
CCCOc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1	526290526	ZAEGNEBNICUQLQ-OAQYLSRUSA-N	423.490	5.005	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	1858591566	HPYFVEVUZTUFQF-WOJGMQOQSA-N	421.509	6.230	10	10	HKCE	
COc1cc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)c(OC)cc1Cl	1860084259	HIWKILJRPCQWTH-CAOOACKPSA-N	405.928	5.071	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	1860087193	GTHDUALPKVGWDU-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CC)cc1OCC	1865666862	WJRIVAOTUCGJDY-LTGZKZEYSA-N	414.505	5.833	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)Nc1cccc(C(F)(F)F)c1F	1891608382	IFSPCEAVLSHZKO-HOCLYGCPSA-N	407.411	5.155	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cc1Cl	2180955680	CGGBRZFXGGFBCM-LLVKDONJSA-N	414.293	5.255	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1	2297341180	FHRSKZKTAZCHRL-UHFFFAOYSA-N	416.930	5.436	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cn(C)c2ccccc12	2332128920	RHVBMLTXBLDMJT-UHFFFAOYSA-N	412.320	6.071	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2cccc3ccccc23)N=C1C(F)(F)F	2332133898	NZKGIVFJYXWRGH-UHFFFAOYSA-N	424.422	5.976	10	10	HKCE	
O=C1C(=Cc2ccccc2O)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332140599	UYDZFOWYODXTOV-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
Cc1ccc(CNc2c(C)sc(C)c2Br)c(O)c1Br	2352637286	QGIBGMUYXOIHSN-UHFFFAOYSA-N	405.155	5.516	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	14460688	AULNOFZTNSPIKG-XFGYDDDFSA-N	408.929	5.075	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)CC1	14466648	UTGCFBIVQZOIFW-YDIMBITNSA-N	406.957	6.039	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20718261	MKIBXXVFAGCGEE-OASJLCFRSA-N	424.544	6.188	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C\c3cccc(Cl)c3)cc12	33670152	VDLOYHPPGYEXEA-FLIBITNWSA-N	405.929	5.839	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2/Sc3ccc(-c4ccccc4)cc3N2C)SC1=S	33927475	VMLHOBQOQQSXSZ-VHVWWYSBSA-N	410.589	5.501	10	10	HKCE	
O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1	39860822	BCRYHISWKSAHRJ-NSIKDUERSA-N	415.776	5.011	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCOC)Cc2ccccc2)cc1Br	384363097	PIOLXEACNMCRCP-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)cc1C	1772743255	NETLUIFIUUWYRT-UHFFFAOYSA-N	418.409	5.578	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)cc1	1860073520	NIIDLGQAMMOXDJ-CPNJWEJPSA-N	400.544	5.386	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	1860074688	CXBYPVYFBJWNPE-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	1860085007	FNNJZXDIDCAJBZ-KGENOOAVSA-N	419.571	6.249	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865674957	HKDKOWGEWFAISN-LYBHJNIJSA-N	424.548	5.694	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccccc2C)cc1	1865680230	CXDBVLLDCULRCJ-XIEYBQDHSA-N	418.496	5.991	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)cc1Br	1915271358	GMVQEJHGIXNECS-HTAPYJJXSA-N	419.407	5.143	10	10	HKCE	
CC(C)(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1CC1	2079781231	UJWXMIYRPVUXPX-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
COc1ccc(Br)c(CNc2ccccc2NC(=O)OC(C)(C)C)c1O	2227748385	NQZDAIXHAQBBDW-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2231451990	KVOJZRULGHRLCU-GOSISDBHSA-N	415.419	6.286	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N12	2297470641	CRVSWHJGFMPKEN-UHFFFAOYSA-N	414.893	5.054	10	10	HKCE	
O=C1C(=CC=C(Br)c2ccccc2)SC(=S)N1c1ccccc1F	2297624895	BLTQBRVQDILUBH-UHFFFAOYSA-N	420.328	5.510	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	2313609494	JXUQVOIQSJWLPU-UHFFFAOYSA-N	413.564	5.452	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=S	2314534055	XBYPBOUQUVJXIG-UHFFFAOYSA-N	418.381	5.807	10	10	HKCE	
COc1ccc(CN2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2323745166	JPQSIVHKLLFVIB-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)cc1OCC	2332106922	VUJLKWFIWPQQPB-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CCC)cc1OC	2332124432	BRSDAHXIXLKTKR-UHFFFAOYSA-N	406.526	5.851	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461108	CJTBZUZERBEJAZ-DRSNIGMVSA-N	414.343	6.160	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471373	FBPWHJNZTWYFNI-MCFFVMPBSA-N	411.889	5.813	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477773	GBDCQSHPKKZEJO-CKJXQJPGSA-N	404.337	6.235	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544532	NVVPVGPMALLZSC-IPVFLDMMSA-N	412.533	5.815	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	14551158	DOEDBGLTFHOYMH-YZUZCNPQSA-N	408.567	5.124	10	10	HKCE	
CC[C@H](Nc1ccc(Br)c(F)c1)c1cc(Br)ccc1O	115869034	PPDYLWUUHCVMGZ-AWEZNQCLSA-N	403.089	5.620	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	226841464	UFTBGIXDRLKDFY-FAIQAVJNSA-N	415.364	6.348	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21)N1CCCC1	226891910	KCMKATGDZOBJGM-DDVAMESESA-N	413.348	6.056	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cnc1C	299784582	HFVIFQYQTKVSSE-QFIPXVFZSA-N	409.555	5.287	10	10	HKCE	
O=S(=O)(c1ccc(N=Nc2cc(Cl)ccc2O)cc1)N1CCc2ccccc21	1084041474	GRJPUJBKZGDNDX-UHFFFAOYSA-N	413.886	5.212	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1858596653	YDCNLWIYUCDQLX-KNTRCKAVSA-N	404.645	5.307	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4ccc(C(C)(C)C)cc4)ccc3[nH]2)cc1	1872741050	IVAPPSYZEBWQSU-UHFFFAOYSA-N	412.537	5.846	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1cccc(C(F)(F)F)c1O	2069943149	TZBNEJLZVSCOQB-UHFFFAOYSA-N	410.436	5.269	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CN)c2Br)C2(C)CC2)cc1C	2080029720	CDUGUHGVWAFPLC-SFHVURJKSA-N	420.395	5.114	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1cc(Br)c(CN)cc1F	2186577182	FARXQWRJSOFFSA-QMMMGPOBSA-N	422.161	5.068	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O	2293704382	JAVUGGZZMJYRPP-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	2294712211	UAHKSRRXJNYYCS-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)C	2297295769	USHROIDIQHJJSJ-UHFFFAOYSA-N	419.308	5.595	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCCC1	2323724328	ZKOAYNQAVSYRPU-UHFFFAOYSA-N	409.576	5.800	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc2ccccc12	2332099805	GZVPZRQLVMNKLH-UHFFFAOYSA-N	405.295	5.799	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2CC)cc1OCC	2332107168	WJRIVAOTUCGJDY-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
Cc1ccc(CNCc2ccc(Br)cc2Cl)c(O)c1Br	2380810443	GMVQPOULQKNBJG-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1F	13893905	SXAYRIOUUUUYFY-STZFKDTASA-N	416.452	5.219	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463455	IOMDTXAPFMGKGM-DPZBCOQUSA-N	416.609	6.899	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465056	CPKBACYWVWHNFU-UEXGIBASSA-N	416.974	5.243	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548386	YJMSLJBCHNFLRA-NJNPRVFISA-N	414.596	5.186	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	20680907	FBINUTNWXBDZNT-MBOZVWFJSA-N	411.343	5.414	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@@H]4C=CC[C@H]43)ccc21	20684343	CFNNYDINKZDUJP-HMTCLSAISA-N	423.516	6.858	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701806	VHPRHOJUCROLQN-SIFCLUCFSA-N	420.336	5.941	10	10	HKCE	
CCCN1C(=O)/C(=C/C=C2\Sc3c(ccc4c3CCCC4)N2CC)SC1=S	33926879	PZGHEIYOCYMTCE-WHYMJUELSA-N	416.637	5.493	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(I)cc1Cl	37105476	VFRHKMHCPQGFON-HZMBPMFUSA-N	413.686	5.619	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl	59397661	YSMLIIRHWJUHMB-NVNXTCNLSA-N	413.873	6.073	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3ccccc23)o1	101441395	OUOOGUULZRGOBN-CJLVFECKSA-N	410.498	6.390	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\C(Br)=C\c2ccccc2)SC1=S	102445983	MTJHEOOFEWVQTG-AJGWWKNYSA-N	416.365	5.680	10	10	HKCE	
Nc1ccc(N(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1	242464495	BRRXEZCDXUDUMV-UHFFFAOYSA-N	406.917	5.003	10	10	HKCE	
CCOc1cc2c(cc1C)S/C(=C/C=C/c1ccc3ccccc3[n+]1C)N2CC	1614467125	NPLNNIZJXVNBAB-UHFFFAOYSA-N	403.571	5.858	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591630	JSTPOIOFXZQIBU-VIZOYTHASA-N	415.408	5.385	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1	1860085832	MLMUTPMNPAOITD-LDADJPATSA-N	421.946	6.064	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656588	MLHGZMKXJFRXLP-GZTJUZNOSA-N	403.707	5.294	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	1865659032	YRAYOAMCLRKFNG-PDGQHHTCSA-N	404.407	5.467	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665640	FBEHZTHSMKKVNC-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1OC	1865668988	AGZLLPSBJSSBLU-XNTDXEJSSA-N	419.308	5.597	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br	1915433934	DDOITHWCLGPHEG-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2034823607	WYNLJKYVTAGHEY-SJORKVTESA-N	403.408	6.171	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCCCc2ccccc2)c(OC)c1	2332127039	WFGYYJJQNGGTLN-UHFFFAOYSA-N	420.553	5.354	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1F	2332129787	NYLQDYPFEQAFIC-UHFFFAOYSA-N	421.697	5.433	10	10	HKCE	
CC(C)CNc1cc(N2C[C@@H](C)C[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	6737900	DKTAJTYPLNAUOD-IYBDPMFKSA-N	403.526	5.589	10	10	HKCE	
Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)c1	15035244	SNOXRBYPOPOKFY-UYRXBGFRSA-N	424.591	5.132	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703198	LYTZXRPXJWKEMF-TVZXLZGTSA-N	401.937	7.054	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)c1	54620761	DRQXUPPZAULTOU-QFIPXVFZSA-N	402.450	5.302	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccc(N)cc3)c2)cc1	66153509	ITJATEORMHTLRE-UHFFFAOYSA-N	415.537	5.390	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)c1OC	97999111	AKMSNJMALYAXDD-LFIBNONCSA-N	405.928	5.153	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F	100147758	WHPRCMWOVAPSGB-STZFKDTASA-N	420.871	5.864	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\C(Br)=C/c2ccccc2)SC1=S	102445975	MTJHEOOFEWVQTG-SSZXNVRRSA-N	416.365	5.680	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2Cl)N3)c1	226800225	YCYBMLGYIFPCPP-RNHFSVANSA-N	414.936	6.727	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(Br)c1	384106556	DPQDGCNULSXYGS-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526180194	HPVGGBUXXCONQA-NRFANRHFSA-N	424.953	5.833	10	10	HKCE	
COc1ccc(NC(=O)OC(C)(C)C)c(NCc2ccc(Br)cc2O)c1	691390555	GONYIZWKNMXZST-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CC(C)CSc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1859706814	CCSDGGYQAJPXEL-UHFFFAOYSA-N	415.514	5.462	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1cc(Cl)ccc1Cl	1860085189	URJAKASOPLYBNE-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
CCOc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	1860482510	JVSOIXMQMJBDRE-CYYJNZCTSA-N	400.526	5.491	10	10	HKCE	
CCCCCCOc1ccc(/C=C2\C(=O)N(CC)N=C2c2ccccc2)cc1OC	1865672326	XADCJSKIYZAEML-FXBPSFAMSA-N	406.526	5.304	10	10	HKCE	
CC(C)n1ccc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc21	1874179828	RDMNJHQNLIPUBM-UHFFFAOYSA-N	408.457	5.250	10	10	HKCE	
Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(C(C)(C)C)cc4)S3)CC2)cc1	2296759655	XJKGOPKNVUAWFR-UHFFFAOYSA-N	419.594	5.085	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=CC(Cl)=Cc3ccccc3)SC2=S)cc1	2314533121	OVMFLRGXVDCBHS-UHFFFAOYSA-N	414.939	5.174	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1c1ccc(F)cc1	2321609730	BCYBCNSDJRCDTM-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1cccc(F)c1	2332100172	SNRRIBJTLKGMGF-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)c1	2332119254	SSNFZTAWSMUIKT-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2ccccn2)cc1	2332128710	UPECPMVEUCDZDN-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cc(Br)ccc1F	2332129703	DNFGBRPLRYJJTD-UHFFFAOYSA-N	419.269	5.309	10	10	HKCE	
FC(F)(F)c1cccc(/N=N/c2cnc(-c3ccccc3)nc2-c2ccccc2)c1	5490329	FYDUKYJDDCLORQ-QVIHXGFCSA-N	404.395	7.245	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13636325	HSAMPRTZNOBWDC-SGIRGMQISA-N	402.538	5.538	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459759	ZKZIDJDQPNWSLI-IUKKYPGJSA-N	418.537	5.290	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14460569	AVIRPIXTDHCWCP-FXSPECFOSA-N	415.964	7.178	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462860	ZDBBQYFTXVDHDX-HFMPRLQTSA-N	424.610	5.713	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	14464645	KLOMCKYIGYKTAZ-ZMQLRHKASA-N	424.544	5.575	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470120	PJVYMZRAJVFCTI-VBOOUTDYSA-N	411.545	6.879	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470479	IQIPZKLNRWZTDU-DXBVXKBHSA-N	424.544	5.842	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477671	XLAOLEFTBNDPDF-BXTJHSDWSA-N	401.337	5.958	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479527	IEQJBWMWDHHWRJ-BERHBOFZSA-N	413.517	6.109	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21	14546908	BHWOZERBODOCAE-CFLDLGCGSA-N	416.348	6.378	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548220	NHNOMIVXQPRUTN-DYRZZGSRSA-N	401.506	5.787	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14552502	XFOCHMHJBQZNNS-DVBNTOJCSA-N	419.528	6.555	10	10	HKCE	
CN(C)c1ccc(-c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)cc1	39908228	NEJNGSLJNVTPKY-UHFFFAOYSA-N	419.956	6.282	10	10	HKCE	
CC[C@H](Nc1ccc(Cl)c(Br)c1)c1cc(Br)ccc1O	126577613	NJYHKJCIAPJYCC-AWEZNQCLSA-N	419.544	6.134	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2)c1ccccc1	226700336	FADPLTDBAOGZEB-RNHFSVANSA-N	414.936	6.443	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226890963	PFIDHRBIAABDOG-AHPZMPFVSA-N	418.540	6.802	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(Cc1cccnc1)C[C@H]1CCCO1	255066686	VFXMYSQJOLJNSJ-HSZRJFAPSA-N	415.497	5.710	10	10	HKCE	
C[C@H](NCCCCCNC(=O)OCc1ccccc1)c1ccc2ccccc2c1O	397946488	XCVZWTLRAAQRGB-IBGZPJMESA-N	406.526	5.293	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(C(F)(F)F)cc2Cl)C1=O	1860084604	WLCAYRMSEMJGHZ-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cccs2)cc1	1865670552	FWMUVJWRWGAEPY-HYARGMPZSA-N	402.519	5.204	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676598	GABGPDSVMBYPFI-OQLLNIDSSA-N	404.253	5.093	10	10	HKCE	
Cc1cccc2c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c3c(nc12)CCC3	1866271459	OSHSBIAEVBQHEP-UHFFFAOYSA-N	409.489	5.659	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3cc(Cl)cc(Cl)c3)cc2)c1	1872866339	DXYYYZFSSQYMBX-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
Cc1[nH]c2ccccc2c1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2053471711	MWIMHTJDBWEHAQ-UHFFFAOYSA-N	418.465	5.901	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C=O)c2Br)C(C)(C)C)cc1C	2079980924	LHRKLPHRXAMXNI-GOSISDBHSA-N	405.336	5.293	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2293381576	UJZDOKLZHIVIGT-LBPRGKRZSA-N	404.354	5.412	10	10	HKCE	
CCc1ccc(NCN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2296733649	SXNPGRVQWLCHNC-UHFFFAOYSA-N	423.390	5.827	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F	2332127624	PKFCPJJMJQNUAI-UHFFFAOYSA-N	402.800	5.193	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2Cl)N3)c1	14553585	YCYBMLGYIFPCPP-UMEGOILYSA-N	414.936	6.727	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21)C1CCCCC1	20679918	PWCLRDPFTLQHLL-ZFGGDYGUSA-N	402.538	5.623	10	10	HKCE	
O=C1/C(=C/C=C(/Br)c2ccccc2)SC(=S)N1c1ccc(F)cc1	33446626	XVMRWKRDMMYSOD-AXOLISODSA-N	420.328	5.510	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1	226715230	MKIFZKXMUVVQEW-WHSBFGAESA-N	410.517	5.139	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226834114	IGQNBRGLSNWWNX-XQBPLPMBSA-N	423.297	6.271	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21)c1ccccc1	226904667	FOXUOLUOBSOVLU-LXBLAULMSA-N	400.547	6.066	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(N(C)C)cc2)c1	526251454	SWVDFBMCWZNUKU-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	526455318	MJTMHEGFALOTRL-QFIPXVFZSA-N	404.535	5.488	10	10	HKCE	
COc1ccc(-c2csc(N3N=C(C)[C@H](N=Nc4cccc(C)c4)C3=O)n2)cc1	575733008	QCADXQHJRYMBHX-IBGZPJMESA-N	405.483	5.002	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cc(F)ccc1Br	708176713	GTLGQMXXXGHXGL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(=O)N(Cc1cc(Cl)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	725384989	NNDUJNJPCGVFAD-UHFFFAOYSA-N	411.729	5.636	10	10	HKCE	
CC(C)(O)C1=C[C@H]2[C@H](C=C1)N(Cc1ccccc1)c1ccc(C(C)(C)O)cc1C2(C)C	1848434531	LSZQKAHASSYJCM-UPVQGACJSA-N	417.593	5.464	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)s1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889485	LWDJDFBUUGBXLI-UHFFFAOYSA-N	409.894	5.232	10	10	HKCE	
CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	1860709580	YTGLNYQMCXEXRA-UHFFFAOYSA-N	417.553	5.444	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(C)ccc1O	1865665683	GQEQHJRVUDXPRE-LFIBNONCSA-N	403.309	5.589	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc1OC	1865672007	KSPHCYZWDJYQCH-OQKWZONESA-N	420.553	5.846	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(OC)cc4)ccc3[nH]2)cc1	1872737407	MMVXQBSSQWVAOJ-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
COCC(C)(C)N(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	1915496712	SDVCAPINSHPUFD-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100222637	KMIAUYJSAAYOCH-IPHXSNPTSA-N	417.391	5.289	10	10	HKCE	
CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	2297307913	XFLFVJYURQABLE-UHFFFAOYSA-N	414.461	5.318	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	2297310217	ONBXXLYKKFFHCE-UHFFFAOYSA-N	423.517	5.043	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(C)cc2)cc1	2313683550	CNPZJPLGLORFKZ-UHFFFAOYSA-N	415.468	5.280	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccccc2Cl)cc1	2313683618	JUZJRPAMFNHACQ-UHFFFAOYSA-N	417.896	5.486	10	10	HKCE	
CCCCCCN1C(=O)C(=CC2=Cc3cccc(OC)c3O[C@@H]2C)SC1=S	2314450664	KFCZUUNJOIWNEF-CQSZACIVSA-N	403.569	5.184	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=N)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2314835291	DAPRIAMQFLWZCV-UHFFFAOYSA-N	420.365	5.895	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)ccc1Br	2321744045	HHFXJUKREYLJFI-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(Nc4cccc(F)c4)c1c23	3741986	ZADCDWXURGPWOK-UHFFFAOYSA-N	413.452	5.912	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCCCC1	20698843	UQANYFYTXAXGFD-VIICAESSSA-N	408.545	6.292	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@H]32)c1	20755529	RHRNWTZKVCXPQX-PLXFJCCSSA-N	424.544	6.391	10	10	HKCE	
COc1ccc(C)cc1N[C@H](c1ccc(F)cc1)c1ccc2ccc(C)nc2c1O	54621637	WEBMJURBRISRFO-HSZRJFAPSA-N	402.469	5.906	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226872433	WQSXONPDXGTSSX-SLSDLSHTSA-N	422.594	5.433	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309789520	FVRDHBHJSGSTKW-UHFFFAOYSA-N	409.371	5.765	10	10	HKCE	
O=C(O)/C=C\c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	309789532	FZAUXJOMCQATJS-OWBHPGMISA-N	422.322	5.754	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385573681	QXWTWYDGSWZKKN-QZTJIDSGSA-N	415.419	6.315	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	1083990369	FDIRHWTYWMWADC-OEAKJJBVSA-N	413.525	5.133	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(C(C)C)cc2)cc1	1865664122	AZWBYBQDVLHDDB-KOEQRZSOSA-N	410.517	5.962	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1	1865674817	ZUAAIZJQMFPEBJ-QJOMJCCJSA-N	414.480	5.445	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)NC(c2ccccc2)c2ccccc2)c1C	1874139321	AJWTZWRVKKFPMZ-UHFFFAOYSA-N	410.517	5.622	10	10	HKCE	
Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1	2079031515	NAXAKQJHSBTCKO-MRXNPFEDSA-N	421.335	5.045	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O2)cc1	2313510611	WAAVMDGEYMXWIC-UHFFFAOYSA-N	403.390	5.153	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	2321646947	QMKBADRIMJWKLU-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1	2321698392	CKFWGUGVRNEHQK-UHFFFAOYSA-N	411.592	6.360	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2cccc(F)c2)cc1	2332140773	JDIQCCRSLRMNTK-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CCCCC2	2909646	DNDQVGSTNNRKDN-UHFFFAOYSA-N	407.539	5.285	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(N)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642256	XXAFCHFACQILFH-UDJSKEQPSA-N	407.517	5.740	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476544	FBWYBAIXUOXLDW-XFAGBWLFSA-N	422.355	7.399	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546139	OSLXBQQGKMCOIV-ZYLNGJIFSA-N	410.517	5.452	10	10	HKCE	
COc1ccc2c(Cl)c(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)sc2c1	100463698	CYXXARXKRBQTOB-OCEACIFDSA-N	421.909	7.231	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226834566	NCSSTFURASOIHI-MRJKTFCFSA-N	411.545	6.879	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1cccc(F)c1I	388606100	FNDNUVRYHLFDEA-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
CC[C@H](N[C@H]1CN(Cc2ccccc2)CC1(C)C)c1cc(Br)ccc1O	720738427	YLQHIOLABYLECN-FPOVZHCZSA-N	417.391	5.106	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2CC)cccc1OC	1865668849	SVMYZHXWXSVUFR-HEHNFIMWSA-N	414.505	5.833	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865679928	NKMCAIKJEFTSFP-JCMHNJIXSA-N	402.881	5.179	10	10	HKCE	
CC(C)CNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	1946825139	YTJDBYAKEAKMRR-UHFFFAOYSA-N	415.625	5.571	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034660191	GERSZFSHUNDKNP-KRWDZBQOSA-N	402.376	6.089	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)cc1C	2080022712	NZJOZTJGRPBXAP-GOSISDBHSA-N	423.395	5.393	10	10	HKCE	
CCN[C@H](c1ccc(N(C)C)cc1)c1cc(Br)sc1Br	2163078234	HGTCTASELSKSRW-CQSZACIVSA-N	418.198	5.038	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2223520377	GTZKYGVEJXRSLT-KRWDZBQOSA-N	401.392	5.896	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@H](C)O)cc2Br)s1	2237720264	FLLBRAIUCMKDIO-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
COc1ccc(C2=NC(=Cc3ccc(F)cc3)C(=O)N2c2cccc(Cl)c2C)cc1	2297299276	MOVXNDMYBQLACU-UHFFFAOYSA-N	420.871	5.631	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	2297317091	SVZLWEOKBXRIRO-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118392	GVDCRRSZWTZMKH-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
CCN1/C(=C/c2sc3ccc4sccc4c3[n+]2CC)C=Cc2cc(C)ccc21	1920222	HYTRMIPQAWZIIM-UHFFFAOYSA-N	403.596	6.626	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2Cl)SC1=S	6470668	VZRIUSHEZIKBEY-QGOAFFKASA-N	419.955	5.019	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641338	WRDLCEWZUULMMZ-JXQFQVJHSA-N	409.526	5.718	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474678	ZRERZUZPDLUZLP-ZYLNGJIFSA-N	410.517	5.885	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475491	WWYBUOMMUQEKFU-SGIRGMQISA-N	412.533	5.433	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21)N1CCCCC1	14478160	PMWITDKHAIRZLT-PNLZDCPESA-N	403.482	5.047	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14550521	LNHXKCNORSFMQR-CLCZQPDDSA-N	403.566	6.871	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(C)C)cc2)N3)c1	14553571	ISXJSMOMMKTGTM-QQNWGBJXSA-N	422.572	7.197	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(N)=O)cccc4[C@@H]4C=CC[C@H]43)ccc21	20684270	RQLFHTUYKAGSCH-IZJXBPLLSA-N	407.517	5.740	10	10	HKCE	
O=C1/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1	33724914	APTHSSTWQJXYEY-LIPBFZAISA-N	402.884	5.210	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1	39436293	OYQSAWZINGOLTK-UMGGQSCQSA-N	402.925	5.745	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNCC(C)C)cc1Br	387224397	GXHYHFSDOZIOSH-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
CC1CCN(S(=O)(=O)c2ccc(N=Nc3ccc(O)c4ccccc34)cc2)CC1	1083999662	QQJOOUKAKWCWDK-UHFFFAOYSA-N	409.511	5.381	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1084272692	MEIHFTWOUFKLEV-CQSZACIVSA-N	414.292	6.815	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC	1858589834	LVBWAVBMXQYOHA-GNRRYOLQSA-N	405.585	5.264	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccccc2)cc1	1865649962	NUZORLYOAXUHTD-HKOYGPOVSA-N	404.469	5.683	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1	1866014587	FZGJXKVFKBHOGR-CQSZACIVSA-N	415.320	5.572	10	10	HKCE	
COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc(C)c1-c1ccccc1	1866261595	XEFOZRAVWMKNBM-UHFFFAOYSA-N	408.504	5.372	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCC(C)(C)O)Cc2ccccc2)c(Br)c1	1915776868	PFHPHBUIAFTQCW-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccc(Br)cc23)c2ccccc2N1c1ccccc1	2042446633	ZILQUDKMKVGRFF-UHFFFAOYSA-N	415.290	6.149	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2296656469	SJEFUDIBSPMDCG-UHFFFAOYSA-N	402.277	5.261	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2318756358	JZNAGSVIJOXATD-UHFFFAOYSA-N	419.527	5.377	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	2321594030	SDVBOLUJBNCDKJ-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4ccsc4)SC3=S)cc2)CC1	2321683434	PYOFJSYILRBLPH-UHFFFAOYSA-N	400.594	5.390	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321708989	BZJBDBSBQGWEBI-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889611	JSTPOIOFXZQIBU-UHFFFAOYSA-N	415.408	5.385	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CCC)cc1OC	2332124271	KYHLDIWXYIHUSE-UHFFFAOYSA-N	420.553	6.241	10	10	HKCE	
Cc1ccc(CNc2ccc(Cl)c(Br)c2F)c(O)c1Br	2380745997	LVAHUKBUQQONSV-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
Cc1ccc(CNCc2cc(Br)ccc2Cl)c(O)c1Br	2380794105	XNFDNFPRFUHSPH-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)SC2=S)cc1C	3768668	DWMGBYHPRIGLFE-MTJSOVHGSA-N	406.576	6.245	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639176	LYKAPODVLXHMMH-WFXMLNOXSA-N	400.316	5.301	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)s1	14456632	IGBPPNUNCNMZCU-WWEVIYMKSA-N	406.595	6.288	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550379	KYZRZPJRPOAGSJ-AWRGLXIESA-N	402.538	5.538	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@H]21	20748891	LXZOGCBXZHXHNK-IPVFLDMMSA-N	416.565	5.784	10	10	HKCE	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O	33315491	WHCMWOVWFKNZQD-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	33330800	DNSKSLLWLMQALZ-KKMKSFFLSA-N	422.575	5.171	10	10	HKCE	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cc(Br)ccc1O	398049677	XAYHJQAEHGLHJK-TYCQWZJGSA-N	417.391	5.106	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526547762	XNABIAZPVPOKAJ-QHCPKHFHSA-N	420.459	5.396	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	1860084719	DUWNMPOVEQYBFA-OQLLNIDSSA-N	420.346	5.355	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CCC)c1	1865668820	REAKQZNPNPCWKI-QGOAFFKASA-N	417.336	6.369	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2CCC)cc1	1865670168	MEBVEENKNFDEAW-CJLVFECKSA-N	410.945	6.495	10	10	HKCE	
COc1ccc(OCC(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c(C(C)(C)C)c1	1865924716	GXLQFUXRROTOCP-UHFFFAOYSA-N	420.509	5.385	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915439949	YMTXUHHFZTTWJY-VQIMIIECSA-N	417.391	5.304	10	10	HKCE	
CC(C)c1nn(Cc2ccc(Br)cc2O)c(Br)c1C(C)C	2079691080	PJGDAASKRROFCW-UHFFFAOYSA-N	416.157	5.409	10	10	HKCE	
Cc1ccc([C@@H](C)NCc2scc(Br)c2Br)c(O)c1	2094177366	NMOUPBGZLOHGEB-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2095951888	MPZXPZXAKJPSHB-MOPGFXCFSA-N	417.435	6.561	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccccc1Cl	2297361251	VXXPTEAORHWTPZ-UHFFFAOYSA-N	400.670	5.593	10	10	HKCE	
COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c1	2297533428	SVROOWWOHYYWAF-UHFFFAOYSA-N	420.852	5.193	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=S)cc1	2314488265	MWYUUYYLTLCMGD-UHFFFAOYSA-N	422.487	6.205	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)cc1Cl	2321669700	MAFPKWXRNKXFJE-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)c1	2323739842	TZHGCRIGUFSHLI-UHFFFAOYSA-N	401.641	6.870	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(C(F)(F)F)=NN1c1ccccn1	2332116531	YMFFZOVUBFRTRP-UHFFFAOYSA-N	423.394	5.009	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134369	QIUODKWOAAZSRN-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
Cc1ccc(CNCc2cccc(OCc3ccccc3)c2)c(O)c1Br	2352686005	ZRFUNXDYQCTERZ-UHFFFAOYSA-N	412.327	5.332	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1Cl	3768776	ACDBXHSOUMTYSA-NVNXTCNLSA-N	414.310	5.547	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	14463949	ORXMYWYUEWQJHG-WDUKFBBWSA-N	400.736	7.627	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545090	HEHVSEUZAQVWIC-UJNGOAIISA-N	421.566	5.071	10	10	HKCE	
COc1ccc(N2N=C(C)/C(=C(/C)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1	17089560	GZVOEKGXYUAVFE-JJIBRWJFSA-N	413.477	5.596	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	103801598	SVZLWEOKBXRIRO-VROQGOMBSA-N	410.930	5.223	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	206296299	QWDRBLGFEJTIIQ-CPNJWEJPSA-N	405.500	5.032	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O	210691999	CLXNNHSWPGDFRO-PODGPRHBSA-N	422.575	5.171	10	10	HKCE	
CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCC(Cc2ccccc2)CC1	254711293	LNMLLQBWOFUSAL-UHFFFAOYSA-N	408.477	5.437	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1c(O)cccc1Br	706830401	UOCRKPSCWBPJPS-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccccc1Nc1ccccc1	1084229841	KIWRVBVKKSMRSL-XSFVSMFZSA-N	406.507	5.975	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1csc(C2CCCCC2)n1	1859707666	YJSYJGMCKVBJAS-UHFFFAOYSA-N	416.502	5.219	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671773	CRDJNZCRLFYOTE-DEDYPNTBSA-N	410.489	5.203	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1OC	1865672619	HNVVSVNYYAETSP-SDXDJHTJSA-N	418.880	5.192	10	10	HKCE	
O=C1/C(=C\c2cccnc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865672907	NHNZNKHDIMZVIP-WQRHYEAKSA-N	408.288	5.219	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673426	DEUYVVWYOKFBBH-LFIBNONCSA-N	421.697	5.828	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H](C)c2cscc2Br)cc1Br	2186631277	VTPREOCLPMDRBF-UWVGGRQHSA-N	419.182	5.524	10	10	HKCE	
Cc1ccccc1NC(=O)CCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S	2296807960	DNSKSLLWLMQALZ-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
COc1ccc(OC)c(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332114830	UXRWTIUVFDDFJN-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC	2332124397	YUEUBSVWOCAGAK-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)C	5172146	USHROIDIQHJJSJ-CXUHLZMHSA-N	419.308	5.595	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458524	OVAMUJKZQMGGBN-RZOLNQLPSA-N	408.545	6.313	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460360	CFULCRHVMYOVCX-MZKRTTBSSA-N	406.957	6.229	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461233	SIWTVQCLZFTVHX-ROWOMKEUSA-N	414.343	6.159	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469820	ABOCIAODVGAOTG-SKPFHBQLSA-N	422.355	7.399	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@H]32)CC1	14475353	IOVNCCXTKRFCIV-NLJOTIRTSA-N	422.572	6.538	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753626	CVSXHFBKJOFHIU-SAYMBASOSA-N	418.540	6.521	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C3\Sc4ccc(Cl)cc4N3C)SC2=S)c1	34829360	RQFUNKQGLREZAC-BMRADRMJSA-N	404.969	5.424	10	10	HKCE	
O=C1Nc2ccccc2/C1=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12	34880186	XYHPRDFBLAXXBN-JCMHNJIXSA-N	414.892	5.866	10	10	HKCE	
CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1	100249903	LHCBKQMJZZLCBQ-LFIBNONCSA-N	409.795	5.051	10	10	HKCE	
Nc1ccc(N(C(=O)NCCc2cccc(Br)c2)c2ccccc2)cc1	217488900	ZUYMUQKWTRGGPZ-UHFFFAOYSA-N	410.315	5.122	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226877474	PWHCFVPOEBEQNR-KCPMXOJXSA-N	413.565	6.257	10	10	HKCE	
CN1CCCc2cc(CNCCCN(Cc3ccccc3)Cc3ccccc3)ccc21	390551216	XYFJCWVQDKOHPZ-UHFFFAOYSA-N	413.609	5.251	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)C(c2ccccc2)=NN1c1ccc(Br)cc1	1865654599	ZGIYFQWDZARWEF-RGEXLXHISA-N	421.269	5.423	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	1866164248	UPNPZTHTYQHUHI-INIZCTEOSA-N	422.550	5.654	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)c(O)c1	2079035141	YWVVZKCBQDPUIU-QGZVFWFLSA-N	409.368	5.085	10	10	HKCE	
CCN1C(=O)C(=Cc2c3ccccc3c3n(C)c4c(C)cccc4n23)SC1=S	2294906222	JUMBFMACVXPSJV-UHFFFAOYSA-N	405.548	5.114	10	10	HKCE	
O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccccc1	2296881932	DSZYEXRJLSOYJJ-UHFFFAOYSA-N	416.593	5.148	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=Cc1ccc(N(C)C)cc1	2297535495	ACQLRDCABUWKSN-UHFFFAOYSA-N	408.716	5.519	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2321664071	ZYYKHXKERPVJQT-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3cccc(Cl)c3)C1=O)cn2C	2321708918	LQPSRFDYNVECOJ-UHFFFAOYSA-N	414.939	5.246	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)c1	2321734020	GWZZQWKDBMTCNU-UHFFFAOYSA-N	401.578	5.602	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118389	GKFFUSNWISTFQB-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
Cc1ccc(CNc2cc(Cl)ccc2Br)c(O)c1Br	2352942292	CCVPUPGDKXSFAX-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21	6862840	VZRMBMRSPDATGR-MRAOVIAESA-N	403.111	7.266	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477249	KZXPLQTVKCOIRA-FEGUVQJSSA-N	415.364	6.348	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477477	PYZXIKCOFPJYMR-VWKPWSFCSA-N	402.321	6.387	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548674	JCWJZXUHGZNCLZ-NPPFBWRTSA-N	416.612	5.385	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)cc1	39194309	VIGAXGNNRGFKFJ-QFIPXVFZSA-N	402.450	5.302	10	10	HKCE	
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1	59522347	CNAGYSGKWFYCKP-BYYHNAKLSA-N	400.482	6.339	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2)c1ccccc1	226856502	DGEKQOGKENOJIF-YRTUYQHASA-N	419.528	6.271	10	10	HKCE	
Cc1cc(N2Cc3ccccc3C2)cc(C)c1N=Nc1ccc(Br)cc1	1088719613	NCCAKCMJWIOORE-UHFFFAOYSA-N	406.327	7.002	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(C2CCCCCCCCCCC2)C1=O	1858587675	UGQHDFCRJMTAST-HEHNFIMWSA-N	417.640	6.570	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N([C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	1858588717	VDAYKMGIJZWUPH-WNTKHODYSA-N	412.580	5.202	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1	1865675051	MEPBMOFAMCJGHC-LFVJCYFKSA-N	414.480	5.227	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(O)cccc2Cl)sc(C)c1-c1ccc(C)cc1	1866168136	DRGDBMUQFGMKPQ-UHFFFAOYSA-N	415.898	5.430	10	10	HKCE	
[N-]=[N+]=NC[C@@H]1CCCCN(Cc2ccc(Br)cc2Br)C1	1912147970	NILYTHQBXFKFBP-NSHDSACASA-N	402.134	5.124	10	10	HKCE	
Cc1cccc([C@H](C)n2ncc(C3CCCCC3)c2I)c1O	2070310497	SUERIMFCURIUPJ-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
COC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Br	2078979937	VUBGNFPTJLVNBG-QGZVFWFLSA-N	423.351	5.205	10	10	HKCE	
CCC[C@@]1(NCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	2157618660	XLCRBRJOXJYKSA-HXUWFJFHSA-N	417.377	5.358	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2223536370	ZWXOOBIILLMCTA-KRWDZBQOSA-N	403.408	6.142	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(Br)s3)SC2=S)cc1	2313608933	AOASEHMTQRNWTN-UHFFFAOYSA-N	410.383	5.479	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	2321699201	OUEZXZITPDRXGL-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@H]4CCCC[C@@H]4C)C3=O)n12	2323790871	QLRQWGXMGWJMIM-ONGXEEELSA-N	412.005	5.138	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(OCCC)c(OC)c2)SC1=S	2323850896	VFQBVWUOBDNJJT-KRWDZBQOSA-N	421.628	6.044	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1Cl	2332104643	BHYXIRXOWHFPHP-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccs2)cc1	2332127511	FKVBNMXZUHYPBM-UHFFFAOYSA-N	410.498	5.744	10	10	HKCE	
CCCN1N=C(C)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	2332131280	CEEZNCPDYFUUKZ-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1	2332139502	NRDDOJHAXAJGLC-UHFFFAOYSA-N	416.908	5.746	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)cc1	2332147610	NJCLTYAKBQRVMT-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
Nc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1	8403190	DEUFISZARXUFEH-FVDSYPCUSA-N	419.509	6.677	10	10	HKCE	
Cc1noc(C)c1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	12561989	QIKABBHBSFOEOA-NDENLUEZSA-N	422.531	5.276	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466134	PZRFJMMPBRSFDA-IUKKYPGJSA-N	406.957	6.229	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479616	ZPFPMLBAJUUGDW-IUKKYPGJSA-N	406.526	5.060	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547069	OTFVXVKMUPNUAH-ZCCHDVMBSA-N	401.337	6.559	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2)[C@@H]2CC=C[C@H]32)cc1	14551430	YTYNTLVDDIWLOU-FBLLAGFSSA-N	410.517	6.164	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1	14551688	KQLUAWRPZLHEMB-DPZBCOQUSA-N	422.572	7.063	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CC=C[C@@H]32)CC1	20756719	SUZGRBKHFQCPCF-TXTKFYIRSA-N	417.509	5.293	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364467	LWVZWNZGPFDMKR-WIOPSUGQSA-N	404.485	5.461	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1	59859588	ALVTWJXWPCYJGH-LTGZKZEYSA-N	419.525	5.437	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(NC(C)=O)cc4[C@@H]4C=CC[C@@H]43)ccc21	226778826	DJUOXAYKSIWRDK-KZGFNGFISA-N	421.544	6.599	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	251398686	YMMJJUCSHZLBFB-LGIZFMHMSA-N	406.526	5.059	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNCCc1cccc(OCc2ccccc2)c1	380568778	BCSGJNWUUQQPBL-UHFFFAOYSA-N	402.321	5.610	10	10	HKCE	
CCN(CC[n+]1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	1088671124	NDBCQNAQWVGOFN-UHFFFAOYSA-N	424.912	5.786	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(F)ccc3F)C2=O)cc1OCC	1860087459	ZIBOPLFVMKOQNS-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	1865670711	NNJOIBXWXKZQLO-VBKFSLOCSA-N	413.329	6.198	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1cccc(Cl)c1	1865676847	NQVINHQVONBWMV-MOSHPQCFSA-N	403.825	5.083	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2OC)sc(C)c1-c1ccc(C)cc1	1865945124	NGKXDAZXVRXVKP-UHFFFAOYSA-N	423.534	5.398	10	10	HKCE	
Cc1cccc2c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c3c(nc12)CCC3	1866271817	WPDZMSRWYHJKJR-UHFFFAOYSA-N	407.517	5.457	10	10	HKCE	
C[C@H](CCO)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	1915423187	IDLZCOWVNWIKON-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	2294259143	LSYSKJZFAQBVAQ-UHFFFAOYSA-N	418.452	6.219	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	2297470463	HYIYISKBWYVWBD-UHFFFAOYSA-N	414.893	5.054	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Oc2ccccc2)cc1	2313681996	SGKZRBQLRMAIHP-UHFFFAOYSA-N	411.505	6.368	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321692136	CKFGOHLILHORPE-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	2332104315	VHOIZFJNRXGNGA-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1ccccc1Cl	2332107651	RBMPARCZMOPWLS-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2CCC)cccc1OC	2332117565	VPWFYHSWVPEENQ-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14460447	OVVXGXXLKOGUPJ-JTAQYXEDSA-N	406.957	6.183	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546879	JRJTUXUSVXTPNF-QZTZHPFYSA-N	416.392	7.779	10	10	HKCE	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)cc1C	27529367	NETLUIFIUUWYRT-OCOZRVBESA-N	418.409	5.578	10	10	HKCE	
CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)c2c1	38643288	NBTBGEVPTYODHQ-QFIPXVFZSA-N	420.553	5.191	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21	226675790	KPVDZFXLJBSEEU-FTLABTOESA-N	411.126	6.288	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226895054	SCJLHXZQGGXZFM-UMTXDNHDSA-N	413.517	5.980	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	251301846	BUSPBABKZPLKME-AIGRECHHSA-N	419.568	7.997	10	10	HKCE	
CC[C@H](NCC1(N(C)Cc2ccccc2)CCC1)c1cc(Br)ccc1O	386682488	INMQPVVIGGZQPY-FQEVSTJZSA-N	417.391	5.250	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526293288	GSHDCRDCJBFOHO-DEOSSOPVSA-N	416.496	5.729	10	10	HKCE	
Cc1cc(NCc2ccc(Br)cc2O)ccc1NC(=O)OC(C)(C)C	697612555	IXNMHPWZCJXRQR-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(Br)cc1	1860084916	XZMWDQYUJDMALV-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1	1860086340	ZVEUWGGJMIKGTE-RCCKNPSSSA-N	403.572	6.543	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCCCCN)sc(C)c1-c1ccc(Cl)cc1	1865955483	RVKNBMHYUYGUKB-UHFFFAOYSA-N	408.951	5.011	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C(Cl)c2nc(=O)c3ccccc3[nH]2)cc1	2040459466	UOGAZJIBMKFNMK-UHFFFAOYSA-N	415.924	5.687	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H](C)c2cscc2Br)c(Br)c1	2186592228	PMQKHVMNMRVGCH-UWVGGRQHSA-N	418.198	5.490	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OCC	2318683347	CQHATIKSBTUJQV-UHFFFAOYSA-N	421.628	5.900	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	2321749004	XGKCQELZBRYFME-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC	2323790812	LVBWAVBMXQYOHA-ZBFHGGJFSA-N	405.585	5.264	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccccc2)cc1	2332094533	PQWIUGBZCSGPTK-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc(Br)ccc1F	2332129880	XPJGWSIKHMAEEJ-UHFFFAOYSA-N	401.279	5.007	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133526	XEMCDFCKBITMTL-UHFFFAOYSA-N	424.544	5.993	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1	2332139490	MCQISPYBBRQSKC-UHFFFAOYSA-N	423.232	5.360	10	10	HKCE	
Cc1ccc(CNc2c(F)cc(Br)cc2F)c(O)c1Br	2380802826	ZYNYHJIIRFPCNI-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14460769	SUQCYJHRKGZEFV-PNLZDCPESA-N	413.359	5.827	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468687	QYMOPENFKQNVJF-YRVVQQKDSA-N	404.293	5.754	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20692642	SEXUIYGXFZPLKU-GKAFBRTNSA-N	408.545	6.393	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(c2ccccc2)C1=S	33325866	YWOZJWKTQBBGAX-IGUHNSGRSA-N	424.525	5.300	10	10	HKCE	
Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1CCCCc1ccccc1	33758637	UNOKFZZCZHSMGZ-UHFFFAOYSA-N	401.554	5.186	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1	39436287	OYQSAWZINGOLTK-IZBJGVDFSA-N	402.925	5.745	10	10	HKCE	
CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc3ccccc3c2)cc1	83310580	SRPSRHNQURHNIW-AQTBWJFISA-N	417.512	5.775	10	10	HKCE	
Cc1cc(C(=O)Nc2ccccc2CN2CCSCC2)c(C)n1-c1ccccc1F	109514584	JWPKZAADZAWUFC-UHFFFAOYSA-N	423.557	5.034	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226745497	WGIHOENDSAMYPB-LKBUQDJMSA-N	401.337	6.559	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226840441	IKMQJQRVVJSKCK-VVBPWWLESA-N	415.364	6.350	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	226897830	HTGLVLWKSDMPQZ-OTNCWRBYSA-N	412.508	5.625	10	10	HKCE	
O=C1/C(=C\N2CCCCC2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1084046341	CNANKTVFXFGZMN-UKTHLTGXSA-N	406.882	5.051	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)ccc1O	1860084964	BNHOCBHZMODJQX-CPNJWEJPSA-N	413.564	5.494	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668472	ZIBPGDXDDIKHQI-NLRVBDNBSA-N	418.496	6.225	10	10	HKCE	
CCC1=NN(CC)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1865674122	OTRNMYHRHWKZJG-WOJGMQOQSA-N	403.309	5.584	10	10	HKCE	
Cc1c([C@@H](C)O)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901882308	DXEMCXYIJNNBPU-HSZRJFAPSA-N	402.582	5.495	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)C)c(Br)c1	2223534776	GFEBTWKRVSGHRF-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1Cl	2297366943	PMVXASAEKYFEQW-UHFFFAOYSA-N	400.912	5.236	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1	2297499560	MDFIRIVARLFKGE-UHFFFAOYSA-N	416.865	5.158	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	2321664002	HNLMEGWGQTZFQW-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
COc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCc2ccc(F)cc2)c1C	4417361	RHEPMEHUYXYZOZ-UHFFFAOYSA-N	414.480	5.530	10	10	HKCE	
Oc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c(O)c1	13640337	PLAPINMFXAVWHP-UZINWLIJSA-N	405.538	6.274	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461113	LFFRELXJVASXJQ-GSHUGGBRSA-N	414.343	6.016	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14471973	UIFDJJSMJVRYOT-SXWKCWPCSA-N	417.509	5.438	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c1	14475859	HGLCRCDCTRJZDU-FJHFEUQMSA-N	411.672	6.087	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546187	QBOZCCQNVCNLGQ-AXHZCLLHSA-N	402.538	5.538	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546702	AXJRHCUUMGSYQE-IRWWLHRVSA-N	419.566	7.780	10	10	HKCE	
CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(N(C)CC)c1	110160330	MRDUJUFNSFNOID-UHFFFAOYSA-N	408.329	5.440	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226656300	IKASJYSGVVVSLA-JEYPMZLKSA-N	414.593	6.455	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1OC	1860073471	IIXMIAXKANYGRW-MHWRWJLKSA-N	405.928	5.071	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865659035	YXHIXCWGPSQEHZ-XMHGGMMESA-N	411.343	5.943	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(Cl)cc2Cl)cc1	1865665824	NNORXMIUHGAVBQ-LDADJPATSA-N	424.287	5.232	10	10	HKCE	
Cc1ccc2c(C)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)oc2c1	1866294456	HOJJQENAVBGRCF-UHFFFAOYSA-N	400.434	5.037	10	10	HKCE	
CCCCOC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccccc2OC)c1C	1874156688	PWIFHYWJCODHFX-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Cl	2080022039	DSYUIAMOXNIRNX-FQEVSTJZSA-N	418.921	5.084	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1	2295916636	PBWBIJJMPBFZJD-UHFFFAOYSA-N	424.591	5.178	10	10	HKCE	
CCCCc1ccc(C2=NC(=Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1	2297298988	NJIKPFQTFCEASA-UHFFFAOYSA-N	416.471	6.142	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2313609274	GBGNKCFATPPUPG-CYBMUJFWSA-N	400.491	5.176	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	2313609795	NKMCOLAKTRYGIK-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(C(C)(C)CC(C)(C)C)C3=O)c2c1	2323802786	MOWKDHMPOYNYJK-UHFFFAOYSA-N	402.585	5.593	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1OCC	2332113836	OMINTIPOPLLLDE-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cccc(F)c2)cc1	2332140765	ISIKMOATYGYSMG-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
COc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)c1	6721826	VGZBYWAKZZXLHH-WIYYLYMNSA-N	412.898	5.358	10	10	HKCE	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)o2)cc1Cl	6846389	CUQGNPQIUROKMN-MHWRWJLKSA-N	410.813	5.004	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13637422	CKQWYABPGJDTCH-AYALFZQESA-N	410.517	5.710	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)ccc(Cl)c4[C@H]4C=CC[C@H]43)ccc21	13642746	ZOAFEALLCNOUAF-ASHZAFPQSA-N	412.964	7.603	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457914	YQUDNNYFHOBFQQ-JCISHKRCSA-N	416.565	5.347	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467705	VEKLQTGMYZUJFS-STXHMFSFSA-N	406.309	5.551	10	10	HKCE	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468342	DFKWPEHUBLAELQ-PDSXEYIOSA-N	404.293	5.754	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475254	PXGUXZYCEVQNBH-DPZBCOQUSA-N	422.572	6.729	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477341	HWUSAPDVRQJHBZ-VTJXTGGHSA-N	401.337	5.960	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750221	RDMWXXWQMHJZRE-KUUHDYPXSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(I)cc1Cl	37105475	VFRHKMHCPQGFON-YGRLFVJLSA-N	413.686	5.619	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2/Sc3ccc4sccc4c3N2CC)SC1=S	100717947	VKUBCFFOJQSRND-UFSWOOAPSA-N	404.607	5.439	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)nc1C)c1cc(Br)ccc1O	233905192	IUDGWPSFPYXZNZ-GFCCVEGCSA-N	400.114	5.184	10	10	HKCE	
COc1ccccc1N=Nc1cc(C(=O)N(C)c2ccccc2)c(O)c2ccccc12	254588960	JRLSVDQJPGGSHX-UHFFFAOYSA-N	411.461	6.246	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(Cc2ccc(Cl)cc2)C1=O	1858590788	IUWIKUCTNVXSAK-VIZOYTHASA-N	419.984	5.067	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1	1860073414	CSOGIUQIKCKDCN-LDADJPATSA-N	403.956	5.843	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cccc(Br)c1	1860074902	YUNNZQBOKKCSGG-RIYZIHGNSA-N	410.745	5.508	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1	1865659081	ZUJLEZPEZIDEPY-AQTBWJFISA-N	402.416	5.341	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678820	GFFUUKFFHGQWRC-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(F)c2O)sc(C)c1-c1ccc(C)c(C)c1	1866235386	NUEPEVMYDPZDEE-UHFFFAOYSA-N	413.470	5.224	10	10	HKCE	
Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1	1872956108	DRVQGEJDBKCULQ-UHFFFAOYSA-N	400.478	5.060	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2095843908	UMIVPIILBQBINK-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
CC[C@H](N[C@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2127785553	APLNZNPLGXFEBM-LRQRDZAKSA-N	417.391	5.106	10	10	HKCE	
[N-]=[N+]=NC[C@@H]1CCCCN(Cc2cc(Br)ccc2Br)C1	2175153703	ZYQPYRDBEHURCL-NSHDSACASA-N	402.134	5.124	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CC)c(Br)c1	2223536930	IGDKDMVRDBZAGE-QZTJIDSGSA-N	403.408	6.142	10	10	HKCE	
CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1	2296887279	HKJGCWZUJLPCAB-IAPPQJPRSA-N	407.561	6.554	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2297504702	PTTBTRDSQIXELV-UHFFFAOYSA-N	403.956	5.925	10	10	HKCE	
CC(=C1SC(=S)N(c2cc(C)ccc2C)C1=O)c1ccc(Br)cc1	2314539003	ISHPLHILYNLBHC-UHFFFAOYSA-N	418.381	5.862	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(C(C)(C)CC(C)(C)C)C1=O	2323802648	VUXFTLSRERKCAA-UHFFFAOYSA-N	407.630	5.429	10	10	HKCE	
CC[C@@H](Nc1c(C)nsc1Br)c1cc(Br)ccc1O	2352282461	YCGHEMGSUZUPDA-SNVBAGLBSA-N	406.143	5.245	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14460771	SUQCYJHRKGZEFV-GSHUGGBRSA-N	413.359	5.827	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460864	IMPPOLCQKRFDTC-NJSLBKSFSA-N	401.260	5.198	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14466539	GAZPJJGDQIZVQR-ISJBWFOZSA-N	415.964	7.178	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(SC)cc1)[C@H]1CC=C[C@H]21	14552205	SJEARSDUOATMNR-CNNODRBYSA-N	408.567	5.001	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O	33926971	FHCHWSSGSAULOP-LDADJPATSA-N	406.825	5.009	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226689463	DWLCVBIWVQVDOU-LPMFXHHGSA-N	403.309	5.275	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226728467	NYUBYVFQVRAGES-UMEGOILYSA-N	407.510	5.626	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589404	ZORKEQVDZSIXEC-YAFRSCOQSA-N	422.344	5.551	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(C(C)(C)CC(C)(C)C)C1=O	1858590539	VUXFTLSRERKCAA-RIYZIHGNSA-N	407.630	5.429	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865664371	NQDFERUWLYAVHC-JLPGSUDCSA-N	414.936	6.294	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)c2ccccc21	1865670929	ZXHOHYDWFHTSIL-SXGWCWSVSA-N	403.791	5.180	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079025287	LPLXBWPROZQJHU-GOSISDBHSA-N	402.922	5.168	10	10	HKCE	
CC[C@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1	2296398148	WQBYEXBMKKTEMX-ZDUSSCGKSA-N	419.554	5.247	10	10	HKCE	
COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCCC(C)C	2296538158	BWRLWGMJAIYHPN-UHFFFAOYSA-N	417.552	5.115	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)cc1	2297297044	QEIJWMCFXLKTIW-UHFFFAOYSA-N	401.849	5.510	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c(C)c1	2313513969	ZCMRUOHZPDYVBR-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)ccc1F	2323743256	ISLATMKHMODLIY-UHFFFAOYSA-N	419.631	7.009	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OCC	2332113899	WHVGAWYSNWJHSR-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c2ccccc21	2332128807	FPNIIFLGGMWVAX-UHFFFAOYSA-N	411.892	5.666	10	10	HKCE	
COc1cc(C=C2C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccc(Cl)cc1	2332131689	STFVXERWLGQLML-UHFFFAOYSA-N	412.917	5.185	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	2332148543	VQYUKOCYIPEDOX-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21	14469073	LHKCHWUSMJBSJF-XLNZFTOWSA-N	407.510	5.626	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470471	GHIACCWAIFJZRK-DXBVXKBHSA-N	424.544	5.794	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	14473473	PIYOCVMSYSDOKK-PNLZDCPESA-N	423.900	5.311	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473515	UPPVFOMXOMRVIW-WJONJSRFSA-N	411.889	5.813	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544876	WIYNHHFDVCJJIA-JTPXSGRQSA-N	419.528	5.924	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	14549154	VGQJBVWXILRRLL-RLSLOFABSA-N	408.457	6.433	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549325	FGUQIAYQUVLUQJ-BRWNIOCJSA-N	419.568	7.998	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552242	UCLLKRXRFRDAAH-HOIFWPIMSA-N	412.986	6.627	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764341	UKABBQGHTWZMPB-QPPBQGQZSA-N	424.903	5.806	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1C	105570868	IWZHXOFJKUZGOR-NZXNHFJFSA-N	403.511	5.610	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385500087	HJSRSBYRMZNMJD-KRWDZBQOSA-N	401.392	5.752	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1	1084411511	QWVXLPBQALFVPM-KGENOOAVSA-N	401.422	5.223	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cc(F)ccc1F	1860087224	IQMXDJLINDXRBE-MKMNVTDBSA-N	402.274	5.677	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	1865664838	NNQKNEVORNDFKZ-RGEXLXHISA-N	407.300	6.136	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1	1865668369	SYMFGNDMBNRILS-QGOAFFKASA-N	417.336	6.369	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(OC)c(OC)cc1OC	1865678476	NSSXWVCDHHBARI-CPNJWEJPSA-N	416.477	5.062	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)cc1OC	1865678779	DECATRGODNCEMK-MHWRWJLKSA-N	419.308	5.597	10	10	HKCE	
CC[C@H](C)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC	1865961929	YGCKLDWJDHOFHO-JTQLQIEISA-N	410.333	5.257	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(O)cccc2Cl)sc(C)c1-c1ccccc1	1866168220	LNTDDQSONYCZBX-UHFFFAOYSA-N	401.871	5.121	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cccc(C)c4C)ccc3[nH]2)cc1	1872734213	IXYUUILTJSOROF-UHFFFAOYSA-N	412.537	5.945	10	10	HKCE	
C[C@@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)CN1Cc1ccccc1	1916253336	PCWXYYSSAXIYCR-QRWLVFNGSA-N	407.385	5.478	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079033051	OFIRDAHYBRPXDB-GOSISDBHSA-N	404.938	5.414	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C[C@H](O)CC)c(Br)c1	2231464415	AHKXSSIFZYDWJZ-FXAWDEMLSA-N	419.407	5.115	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)cc1OC	2318757217	XXTHVVSIRQRTRJ-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	2321609649	QUUQCKZLMDQHFH-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323766984	ATPIDLIFIQQIAN-NSHDSACASA-N	404.900	5.211	10	10	HKCE	
CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116525	XVGZUSFGQZGHSO-UHFFFAOYSA-N	412.489	5.470	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1C	3460588	AAKCOGXPMBHTGT-HYARGMPZSA-N	418.587	5.804	10	10	HKCE	
CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ccccc1C(=O)O	6708323	ZXZRAHJOKAUOLZ-GOSISDBHSA-N	420.578	7.126	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(N)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642259	XXAFCHFACQILFH-STTRJGPESA-N	407.517	5.740	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462223	GWNSDYSVCXAXDG-TUGCOKMYSA-N	418.581	5.917	10	10	HKCE	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14472224	SUETYOAGRYBKEL-JCYRPKCISA-N	418.537	6.771	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477797	UFTBGIXDRLKDFY-CBYWYSCWSA-N	415.364	6.348	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546723	UPNJKNLWFMMHKR-LAPQFRIASA-N	423.365	5.070	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14550523	LNHXKCNORSFMQR-NLJOTIRTSA-N	403.566	6.871	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2[N+](=O)[O-])[C@H]2CC=C[C@@H]32)CC1	20713336	NEDWPXTWTKOZLA-STSQHVNTSA-N	417.509	5.293	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1	54619833	WTVWVUZIFIXHKG-JOCHJYFZSA-N	413.477	5.022	10	10	HKCE	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)c2ccccc2)cc1	170315119	IMTSJTKTRXGXIM-UHFFFAOYSA-N	422.488	5.316	10	10	HKCE	
O=C(/N=N/c1cc2c(c3ccccc13)Nc1cc([N+](=O)[O-])ccc1O2)c1ccccc1	197911898	KLHJQSHSHYRZNL-OCEACIFDSA-N	410.389	6.521	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)CC1	226696811	DGPWXFDHQRUJRB-ZFGGDYGUSA-N	417.509	5.293	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	254384992	ODYFAHMKVUNYEA-UHFFFAOYSA-N	402.435	6.477	10	10	HKCE	
CC(C)(C)OC(=O)NCc1ccccc1CNCc1cc(Cl)cc(Cl)c1O	393464662	VTXLSBXEHUYCTF-UHFFFAOYSA-N	411.329	5.014	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)cc1	526404481	WSRSUIFPCAFXLW-VWLOTQADSA-N	423.468	5.617	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl	526420129	BCRJZHAUQGKKPH-IBGZPJMESA-N	413.882	5.178	10	10	HKCE	
CN(C)c1ccc(/C=C2/CCc3c(-c4ccccc4)cc(-c4ccccc4)[s+]c32)cc1	1615056677	IARHEAXVSWKLFT-CLCOLTQESA-N	420.601	7.916	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cc(F)ccc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859910678	LMSCWLCOKFFPLW-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2034754432	MMAMOPNUKXEUAA-UHFFFAOYSA-N	400.316	5.496	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)cc1Br	2095879971	UIZJRJGDEGTYII-OAQYLSRUSA-N	417.391	5.133	10	10	HKCE	
Cc1ccc(NCc2cc(Br)ccc2O)cc1CNC(=O)OC(C)(C)C	2231338203	GYLGNBVCWNBEIR-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1	2297200070	NGVJOMLEXYUZJT-UHFFFAOYSA-N	422.337	5.165	10	10	HKCE	
CCOc1ccccc1C=C1C(=O)N(c2ccc(C(C)C)cc2)C(C)=C1C(=O)OC	2313577462	ZTTGRWKTYWQHPU-UHFFFAOYSA-N	405.494	5.086	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133351	CLOARDZDMSRIOW-UHFFFAOYSA-N	424.544	6.156	10	10	HKCE	
O=C(Cc1c[nH]c2ccccc12)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	10910015	AIBUVKRIXLFDOK-HHHXNRCGSA-N	406.485	5.475	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14463520	DUNKFQTUGAZCEW-OHTANWTRSA-N	416.565	5.545	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476517	KHBJOGOGWCPFRV-WZOHSFFVSA-N	411.501	5.879	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477239	LMFBUDVOXAPLTJ-YRVVQQKDSA-N	417.336	5.196	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477284	VHGVTAPGPHFSSO-PBPSECFOSA-N	415.364	6.805	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@@H]32)cc1	14553654	XHKKCMFPTRFMBZ-DPZBCOQUSA-N	424.544	6.473	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697116	BTNZLFHZXGZHQP-RQTOMXEWSA-N	415.581	5.595	10	10	HKCE	
O=C(NN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=S)c1ccccc1Cl	33555275	SXWDELUTMUCSDM-ZROIWOOFSA-N	409.319	5.176	10	10	HKCE	
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCc2ccccc21	34828873	BJULPNXBPBCWHX-VKAVYKQESA-N	423.491	5.671	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1c(Cl)cc(Cl)cc1Cl	102868895	GDZNKMNCESFCNF-MDWZMJQESA-N	415.107	6.019	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	226882963	XRSFFHGWAMKICL-IEGUWTFLSA-N	406.323	6.437	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)ccc1OC	1860075381	RUFWLASUTVJKER-VCHYOVAHSA-N	419.955	5.462	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(C(C)(C)C)cc4)C3=O)c2c1	1860085053	ITWQTGHTNFOZRI-RGVLZGJSSA-N	422.575	5.880	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1OCC	1860086725	DAYKQFRLDHBNKX-WOJGMQOQSA-N	403.500	5.029	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672327	XAHGDPYOLQCXSK-CPNJWEJPSA-N	410.489	5.203	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCC3(c4ccccc4)CCCCC3)cc2)cc1	1866225871	MXDAVACTDVUUDE-UHFFFAOYSA-N	414.549	6.682	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccs1	2053493743	DYRIQPWQYDZHJE-UHFFFAOYSA-N	410.502	5.407	10	10	HKCE	
Cc1ccc([C@H](C)n2nc(C3CCCCC3)cc2I)c(O)c1	2070170480	MUBBVXRYNBFICA-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079022190	FHSWLEYHMHHRQQ-GOSISDBHSA-N	404.938	5.414	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2Br)cc1C	2080034904	CZPVKICSYINAFH-KRWDZBQOSA-N	406.368	5.237	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C)c(Br)c3)c2C)cc1	2085738420	UKUWQCLPGGVUER-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
CCN[C@@H](c1ccc(N(C)C)cc1)c1csc(Br)c1Br	2163065446	ACMDFTHDFQQKPE-AWEZNQCLSA-N	418.198	5.038	10	10	HKCE	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1cc(C)n(-c2ccc(C)cc2)c1C	2294061205	LYTCSWYRUMXOBD-UHFFFAOYSA-N	420.553	5.121	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC	2321669710	PUJBDQJKOJQWTD-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1	2321698438	ULUDIMWDTGIPGH-UHFFFAOYSA-N	415.555	6.191	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1	2323752165	FRUVYITUGRJONT-UHFFFAOYSA-N	404.354	5.159	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cc1	2332117509	PCXLKICYOTXZJN-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
C[C@@H]1CN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)s2)c2ccccc2S1	9645440	HISHOVPJHYRYED-MRXNPFEDSA-N	423.607	5.376	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	14468916	JNTWHSQOKSGOEI-FHAGJXEFSA-N	407.510	5.482	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473555	RAALRZNKXGBNIZ-GCKMJXCFSA-N	411.889	5.215	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475270	GTDULIMGCXUZDM-HWBMXIPRSA-N	418.562	5.353	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549532	XXRUIGZJVJWOPY-VYKTZEHYSA-N	418.540	6.569	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1O	20693628	ATUWBUVGFPJWHW-FHAGJXEFSA-N	418.537	5.244	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1	54620177	JVCSFURDLWOIGW-RUZDIDTESA-N	412.533	6.629	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(/N=N\c3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C	100210702	NNFPJXDINMZRRM-VHRKEHCWSA-N	409.490	6.081	10	10	HKCE	
CC[C@@H](Nc1cccc(Cl)c1Br)c1cc(Br)ccc1O	233894895	OTDAFQCVQJSITN-GFCCVEGCSA-N	419.544	6.134	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2cccc(NCc3cc(Br)ccc3O)c2C1	695475519	TXENDEWATKZNNZ-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	1860085207	VXZRXPBXORFFGI-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1OC	1860085306	CHVJNQWQMCKDFD-UDWIEESQSA-N	407.516	5.263	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677253	ZUYISAMHWPNFDZ-AWNIVKPZSA-N	424.671	5.357	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2cccc(Br)c2O)c1Br	2079715325	CEYLPUXURAOFIJ-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	2095872193	NRCXZOONMXEWBX-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCCCOc2cccc(C)c2)SC1=S	2293175827	AIQUHNLEGRXCFX-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
CCN1C(=O)C(=CC=C2Sc3sc4ccccc4c3N2CC)SC1=S	2297550477	LJZQPAITQHHMFH-UHFFFAOYSA-N	404.607	5.439	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	2313609785	NAQCTZJNQDMRDR-GOSISDBHSA-N	423.607	5.901	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)cc1	2321635403	UEXOENQGGLLLTN-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1OCC	2321653458	DOXFUUGJEYKNLM-UHFFFAOYSA-N	413.564	5.588	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	2321734215	AWOXDJFWJLFJMO-UHFFFAOYSA-N	424.469	5.057	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332099884	NPWUFMNXLUQSPQ-UHFFFAOYSA-N	422.915	6.323	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CCC)cc1OC	2332124185	ARJHGORJXDPZNC-UHFFFAOYSA-N	421.541	5.636	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	2332143020	AYXTYHKWXNVAOV-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c1	5710534	FGCNZCOAVSTRIF-XDHOZWIPSA-N	411.548	5.393	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635708	VSQHYMLQKOXISI-SGIRGMQISA-N	416.565	5.926	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1OC	14479694	JJDCSTHYXDFJPF-PNCHPQGNSA-N	406.526	5.059	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	20242825	FKVZBUKHEZHWCR-MDZRGWNJSA-N	419.331	5.840	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C\C2=Cc3cccc(OC)c3OC2)SC1=S	33515912	XZLBMJZCCPVABV-UZUMKDMXSA-N	417.596	5.432	10	10	HKCE	
Nc1ccc(N(C(=O)NCOc2ccc(Cl)cc2Cl)c2ccccc2)cc1	217297256	DGOCZKOWPYXZES-UHFFFAOYSA-N	402.281	5.460	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226689053	DOHASHBYCPGDRI-UWPQIUOOSA-N	424.588	6.938	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	226896344	JNBAAVGOJHPOBJ-QSEAXJEQSA-N	412.508	6.224	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(OC)ccc1OC	1865668325	RBQBUFHKDMMICH-LFIBNONCSA-N	419.308	5.597	10	10	HKCE	
Cc1cccc(C(C)(C)C)c1OCc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1	1872834764	WEJIENYXDCJRAW-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915365979	FIUZVQDQHAPPMM-OAHLLOKOSA-N	401.373	5.737	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	2231463079	LDHIPEPPBLMOQO-SFHVURJKSA-N	419.407	5.380	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(SCc3ccccc3)o2)SC1=S	2297350084	UCSJMYSDBWKEPC-UHFFFAOYSA-N	423.584	6.286	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1O	2297366262	MKXUBQJWZFRVPX-UHFFFAOYSA-N	424.806	5.269	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1	2321591335	HEGALOVORMTGSR-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332140817	MIXFGDFBDBFMLE-UHFFFAOYSA-N	418.724	5.707	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1	13457926	RASXAHPXVOTVRS-PDGQHHTCSA-N	407.472	5.051	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13644622	WYVIADBTFOYGGG-PNIUZAESSA-N	410.561	6.201	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)s1	14456460	ICZVIBBCXFCREY-SPEDKVCISA-N	414.596	5.058	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457033	QWERFDSPUVETHZ-GLDPYIMESA-N	412.489	5.480	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468914	JNTWHSQOKSGOEI-RLSLOFABSA-N	407.510	5.482	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	14472492	MMRYWHATPBOGMI-IMSXRSKXSA-N	411.461	5.674	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543869	MKIBXXVFAGCGEE-XFAFFCHDSA-N	424.544	6.188	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	14545308	SQVJXVXUAYDOMJ-AVYPCKFXSA-N	417.290	5.516	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547064	SRISMDXKOXIWMI-PDSXEYIOSA-N	415.364	6.348	10	10	HKCE	
C/C(NC1CCCCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	205950762	RWCCYVRNACGMAE-LTGZKZEYSA-N	416.550	5.244	10	10	HKCE	
Cc1ccc(C)c(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1	1083936781	OOIRLQGLLZRDLZ-CXUHLZMHSA-N	423.390	5.881	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668612	HWKMKCPQQCHAHN-PXLXIMEGSA-N	416.908	6.034	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2034754330	LCSFSLIJKWPDDE-UHFFFAOYSA-N	400.316	5.496	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025215	NRJJOXUMESIWPM-QGZVFWFLSA-N	407.352	5.323	10	10	HKCE	
CC[C@@H](Nc1cccc(F)c1Br)c1cc(Br)ccc1O	2146004148	SAOHXGCVQMDIFB-GFCCVEGCSA-N	403.089	5.620	10	10	HKCE	
CCN[C@H](c1ccc(N(C)C)cc1)c1csc(Br)c1Br	2163065447	ACMDFTHDFQQKPE-CQSZACIVSA-N	418.198	5.038	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1	2294498880	PKLDUVNLCLKDAJ-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1	2313577355	FTRBEMHFMKJDBF-UHFFFAOYSA-N	419.521	5.260	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	2321618029	OKFBEJCRVJVVRX-UHFFFAOYSA-N	410.589	5.334	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	2834198	LUYKSNXKZHLLKN-XNTDXEJSSA-N	422.394	5.577	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccc(OC)cc2)sc2c1CCC2	3066004	FJSFOQWJRRUXMX-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467640	IXJHBONSWHFGBZ-CKJXQJPGSA-N	404.337	6.560	10	10	HKCE	
Cc1ccccc1NC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1	34988699	XWVJZUWGORWBCG-UHFFFAOYSA-N	423.310	5.039	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	39861680	MEDNUVAZCLEXPK-AMHNRXTASA-N	415.923	5.002	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226659863	AEPYVOSSIPBWCB-FMGHJNRGSA-N	422.572	6.715	10	10	HKCE	
CC[C@@H](Nc1cccc(Br)c1F)c1cc(Br)ccc1O	689234974	QUQQYCUPNGHUIT-GFCCVEGCSA-N	403.089	5.620	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccc(Br)cc1F	708175975	BGKLKNUWWNYGFD-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865656576	LVRYJXKQNHNMBY-GHXNOFRVSA-N	419.617	5.995	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	1865668956	YWFDFRIAYKXZRJ-MOHJPFBDSA-N	412.489	5.319	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1	1865675208	UUPJDIKADARPLH-LTGZKZEYSA-N	416.908	5.746	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	1865678454	MVJWDFWUUHBTQG-MOSHPQCFSA-N	421.327	6.132	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2cccnc2)sc(C)c1-c1ccc(C)cc1	1866158131	FJAGUDAFNBCLOC-NTCAYCPXSA-N	406.507	5.256	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891212330	BRUBYKGCYHPTHH-QOKNQOGYSA-N	419.352	5.066	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)cc1Br	2113618399	PUEQOHBLYMYDRR-QGZVFWFLSA-N	419.407	5.113	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(Cc3ccc(C)c(Cl)c3)C2=O)c1OC	2296018782	UEOXKBLWMJLJPO-UHFFFAOYSA-N	419.955	5.067	10	10	HKCE	
Cc1ccc(C2=NC(=Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	2313671223	SHPQEBDSLSCAQP-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2321698218	OZYIECQOWQZNQM-UHFFFAOYSA-N	419.527	5.377	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332098000	NAWGTRAPMDVIEC-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
O=C1C(=Cc2cccc(Br)c2)C(c2ccccc2)=NN1Cc1ccccc1	2332098199	ZIQHEARZIWMWFO-UHFFFAOYSA-N	417.306	5.279	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c1	2332119096	CPJAMAOPOCIWOX-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
Oc1ccc(Cl)cc1[C@H](c1ccccc1)n1c(-c2ccccn2)nc2ccccc21	5635407	ZBCDZJSRJWKZSH-DEOSSOPVSA-N	411.892	6.095	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457186	IIHOTINARXOJBR-XLNZFTOWSA-N	418.537	5.290	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466612	VIIMYRWSGYHLMU-PPSDVSMJSA-N	416.974	5.243	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466988	DEGMBMUBIWSBQD-BXTJHSDWSA-N	403.309	5.508	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477559	ITHICTYULOQTJV-AUSJPIAWSA-N	423.365	5.070	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546973	CHJYDZYFTNCEBY-RQVMVGKASA-N	404.337	6.235	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712502	XLAOLEFTBNDPDF-SIFCLUCFSA-N	401.337	5.958	10	10	HKCE	
O=C1/C(=C/c2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	97371857	YQOFNDHZKIUXGB-XMHGGMMESA-N	403.825	5.083	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2	111441432	BFERHBIYSDDSTB-CPUCHLNUSA-N	404.691	5.627	10	10	HKCE	
COc1c(Br)cc(Cl)cc1NCc1cc(Br)ccc1O	234821800	GTRVMLCRHIYIRY-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084146417	CYTOEBLJHMZOOF-UHFFFAOYSA-N	402.523	6.352	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)cc1OC	1865670956	BPEWVHFDIQBAHU-CJLVFECKSA-N	414.505	5.833	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679533	RLFFLYUUEOVNMR-HZHRSRAPSA-N	416.908	6.115	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(C)c(C)c2)sc(C)c1-c1ccc(C)c(C)c1	1865984412	GWUOHSPPIKSURL-UHFFFAOYSA-N	421.562	5.925	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079031744	RDMYWLLVZMSAOT-INIZCTEOSA-N	423.351	5.291	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2095843241	JRVKFEZSKSEGHF-UHFFFAOYSA-N	415.419	6.146	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2095888869	OKCYNMAOQXIDPA-SFHVURJKSA-N	415.419	6.459	10	10	HKCE	
O=C1C(=CC=Cc2ccccc2)SC(=S)N1c1cccc(Br)c1	2297554562	HAXRGSMHNHYHBK-UHFFFAOYSA-N	402.338	5.411	10	10	HKCE	
Cc1cc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1	2313656774	KUZZJIPHZHOKAR-UHFFFAOYSA-N	416.830	6.259	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl	2313681844	OPHPSPGDVMJZBY-UHFFFAOYSA-N	406.288	6.021	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1OCC	2321591302	VIQNMVMZWBYENW-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	2321635520	FKLRCGPPJIBYCK-UHFFFAOYSA-N	403.956	5.625	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	2321734136	KKPRJWXESADCOA-UHFFFAOYSA-N	424.469	5.057	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cccc1OC	2332118398	HNAOIBYRZWEQIV-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
COc1cccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c1	9610929	GCORANZMUQXLGN-UHFFFAOYSA-N	424.338	6.071	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545483	FVAWLYDWWOVSCS-ZYLNGJIFSA-N	416.565	5.974	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	19893018	ABOCIAODVGAOTG-JXALWOEJSA-N	422.355	7.399	10	10	HKCE	
Cc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCCc2ccccc21	35565145	CMQWYMTUSMXJCL-SANMLTNESA-N	413.565	6.173	10	10	HKCE	
CC[C@@H](Nc1ccc(Cl)c(Br)c1)c1cc(Br)ccc1O	126577852	NJYHKJCIAPJYCC-CQSZACIVSA-N	419.544	6.134	10	10	HKCE	
Nc1ccc(N(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1	170354571	BPMPSMCAKCHZKV-UHFFFAOYSA-N	423.472	5.365	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226879760	KLHIASGVBZGOBM-SLSDLSHTSA-N	422.594	5.433	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	250509793	ORXMYWYUEWQJHG-NVAPDCRFSA-N	400.736	7.627	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	526301457	FJCGBKYQWNIKAH-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
Cc1cc(I)cc(NCc2cc(Cl)cc(Cl)c2O)c1	690637012	RPHLFGGIZSCRRP-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
O=C(/C=C\c1ccc(Cl)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084433100	ZURLIUNPVGOQJT-JROSLQERSA-N	420.925	6.282	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C2CCSCC2)sc(C)c1-c1ccc(C)c(C)c1	1866194944	QQXCJGIRJCGWPU-UHFFFAOYSA-N	415.580	5.519	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	2248953918	UNPMRLGANQYVPL-DEOSSOPVSA-N	415.625	5.804	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	2332105223	JOCHZKHRFUVPAF-UHFFFAOYSA-N	420.871	5.323	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	2164582	HEUPGCKPJWMTAY-XDHOZWIPSA-N	416.930	5.436	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1O	14460070	LIJIROSYVXXDRU-GLDPYIMESA-N	418.537	5.244	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477305	DGOUZPYNMYLWSD-XCGNWRKASA-N	415.364	6.302	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCOc4ccccc4)c3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545044	IYYUZQOKRUNVCI-DVBNTOJCSA-N	422.528	6.452	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1c(F)cccc1Cl	58884076	CWCYTEMFYOHAMV-PDGQHHTCSA-N	413.876	5.480	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CN1CCCCCC1	59382300	MTLGEVYSWDULBO-UVTDQMKNSA-N	401.384	5.028	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	251309201	DIQATWDVIANZFU-QRYYHVKRSA-N	415.364	6.348	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)ccc1F	1860084210	QDMCPPQNRXCJML-VIZOYTHASA-N	408.863	5.102	10	10	HKCE	
CCCCC[C@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1	1872736582	OQBZWIIRJSGILT-NRFANRHFSA-N	420.601	6.165	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)cc1Br	1915189337	ORGKDOCNARZLPX-VGSWGCGISA-N	419.407	5.287	10	10	HKCE	
CCc1ccccc1NC(=O)CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S	2296808076	PQWRXHZYAODHML-UHFFFAOYSA-N	422.575	5.035	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=O)N(c3ccccc3Br)C2=S)cc1	2297450085	RJHBKOOUHOBOOM-UHFFFAOYSA-N	419.369	5.557	10	10	HKCE	
O=C(N[C@H](C=Cc1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1	2297623959	DNWWISUCAIECOI-OAQYLSRUSA-N	415.880	5.173	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2318753302	APAQJXMERFXDJD-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	2332105105	YRMLHLIUTUYMSS-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1Cl	2052011	WOGVLKUQWOTSEH-ZHZULCJRSA-N	423.946	6.538	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545189	DGEKQOGKENOJIF-AJFLCOCNSA-N	419.528	6.271	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	14552372	UWPLZTLOVSSOLQ-XFAFFCHDSA-N	423.560	6.140	10	10	HKCE	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	59396482	XYSNUQCDWMTXIY-RZNTYIFUSA-N	411.291	5.307	10	10	HKCE	
Cc1ccccc1/N=N\c1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1	229012562	ACOYDVICKLLXEB-GCTMKNQMSA-N	416.352	7.249	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cc(Br)ccc2O)c1	302105074	QEBCIGBPKJCZDF-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858590091	WVXAFGVOORMZFS-GGKDXNKYSA-N	414.365	5.368	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	1860086458	IXDFRKBMXQRNCB-SFQUDFHCSA-N	421.509	6.409	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC	1865669598	RBZNVYWBUSXADM-RCCKNPSSSA-N	408.498	5.079	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1	1865675156	RBIHCYBZHIWGHT-UVTDQMKNSA-N	410.798	5.386	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)nc1-c1ccccc1	1892042826	CGSUARXFLNZTKC-UHFFFAOYSA-N	423.519	5.107	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079004417	RGHIWLYAGMGKNC-LJQANCHMSA-N	404.938	5.630	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F	2079024886	INGSSGOQILDHKA-UHFFFAOYSA-N	420.378	5.068	10	10	HKCE	
N[C@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236172632	XKHSJTVWAVZQPY-XMMPIXPASA-N	409.574	5.164	10	10	HKCE	
CNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C1CC1	2301283552	QASDPTLAZGDZRE-UHFFFAOYSA-N	413.609	5.422	10	10	HKCE	
CN1C(=O)C(=Cc2cc(N=Nc3ccc(Cl)cc3Cl)ccc2O)SC1=S	2313533103	YFMQTDQUERTIMW-UHFFFAOYSA-N	424.334	5.945	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1	2318755920	CERVIWAKNXWUIP-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2321585873	MDSRGCPVXLEJAA-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC	2321591192	GMOYMZDWQQUAMC-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1CCC1=CCCCC1	2323839711	RQDYXPDGJDMSII-UHFFFAOYSA-N	408.386	5.541	10	10	HKCE	
Cc1ccc(Nc2ccc(Nc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1	5160647	WQNMFEKGZGXWQO-UHFFFAOYSA-N	404.469	6.258	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2\Sc3ccc(-c4ccccc4)cc3N2CC)SC1=S	13476549	MHCSYPJEEZMWRW-YXZJEIOKSA-N	424.616	5.891	10	10	HKCE	
Cc1ccc(/C=C2\SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	59397609	VXLQSEVKBQRLNI-QNGOZBTKSA-N	402.544	6.144	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226802546	OAXLBWGWDIKMEN-DPLHUUCSSA-N	412.558	6.487	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccccc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917343	NVGOHYMHUQNJNE-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccccc4C(C)C)C3=O)c2c1	1860086582	SPIKWNSQFLCIPU-KEBDBYFISA-N	408.548	5.706	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12	1865664783	ZPECZZCHPKIASG-CPNJWEJPSA-N	409.316	6.338	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c1	1865668608	HNNKESMKYVUEFD-PDGQHHTCSA-N	422.834	5.473	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)c1	1865892450	ZNXSVEJMPVXDCR-UHFFFAOYSA-N	423.516	5.515	10	10	HKCE	
CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)C)cc1Br	1915197814	IPDCONGSDXPUAQ-JOCHJYFZSA-N	419.407	5.115	10	10	HKCE	
CC[C@@H](NCc1scc(C)c1Br)c1cc(Br)ccc1O	2156999856	FMDTVOOKBKDFAJ-GFCCVEGCSA-N	419.182	5.528	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCC[C@H]1CCN2Cc1ccccc1	2197377670	YPVIISSUTIWDRP-AVRDEDQJSA-N	405.369	5.233	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc(F)cc1	2297455024	XLPGKECILQSILO-UHFFFAOYSA-N	413.470	5.626	10	10	HKCE	
COc1ccc(C=C2N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1	2313671061	AAGRVIVXYHHLLP-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cc(C)c(C)cc1C	2314768166	FAGAJJOFHCGJHJ-UHFFFAOYSA-N	413.564	5.078	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(C)cc2)cc1	2332104972	KGUUIPTZEBJBFN-UHFFFAOYSA-N	410.517	5.451	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134643	UBDMCCLGMOLNGC-UHFFFAOYSA-N	422.243	5.233	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)SC2=S)cc1	4477972	GOULRSRVAYMEAC-DEDYPNTBSA-N	407.516	5.263	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2	13638297	RJDWXQDPQRLCDW-KHVXQDHOSA-N	410.517	5.790	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O	14460135	BTTJUSQJPKLQPJ-XLNZFTOWSA-N	412.489	5.480	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)CC1	14465602	XJIRHYGOCDVLOP-IMSXRSKXSA-N	406.957	6.039	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472355	VYUOFZBAMLZSFA-LGVFNWMJSA-N	419.525	5.684	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14472985	QSHKRZILIHYESH-ULYRPOKDSA-N	423.900	5.311	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477841	WJSPCZYXRQKINT-PNLZDCPESA-N	415.364	6.350	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2	14478759	DVOVSJWJOXWVFW-HWBMXIPRSA-N	424.610	5.632	10	10	HKCE	
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c1	16694574	SVROOWWOHYYWAF-MOSHPQCFSA-N	420.852	5.193	10	10	HKCE	
CCCc1nc(-c2cc3ccc(C)cc3nc2NCc2ccc(N(C)C)cc2)no1	33331590	ZHYCWSHSGQOJCZ-UHFFFAOYSA-N	401.514	5.224	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3OC)N2)c1O	53362879	GXOXNABQROZQHD-BKMJKUGQSA-N	416.521	5.330	10	10	HKCE	
COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1	53363307	FLBNVKNJODTHLM-VWNXMTODSA-N	406.913	5.585	10	10	HKCE	
Oc1c([C@H](Nc2cc(Cl)cc(Cl)c2)c2cccs2)ccc2cccnc12	54621540	XPPRERPIOLZUGE-IBGZPJMESA-N	401.318	6.510	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2)c1ccccc1	226779074	RVFYONGXHULWEF-FKCDAAJZSA-N	424.544	6.188	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900582	GFHSEJCZHZSXCA-GKAFBRTNSA-N	418.540	6.521	10	10	HKCE	
O=c1oc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2cc1-c1nc2ccccc2[nH]1	254619256	MIPYQHAVFMYQEI-UHFFFAOYSA-N	411.377	5.660	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1Br	384109703	HOAPFHIOYFKMFR-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
CC(C)Oc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1	526343777	POWBNBRPQFCACK-OAQYLSRUSA-N	423.490	5.004	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ccc(Br)cc1O	691503123	XUJVMPAYQYNFSO-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1	1859059922	OAHYLQHOKZTVQJ-UHFFFAOYSA-N	417.509	5.046	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3c[nH]c4ccccc34)C2=O)c1	1865673299	XVGIIWRMFISBHK-IWIPYMOSSA-N	405.501	5.615	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F	1865674624	PAVKUSVLUFNBMV-VBKFSLOCSA-N	408.807	5.477	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676705	LRYUKNKAEMYHHM-BUVRLJJBSA-N	416.908	6.034	10	10	HKCE	
C[C@@H]1[C@H](NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)CN1Cc1ccccc1	1916253334	PCWXYYSSAXIYCR-FOIQADDNSA-N	407.385	5.478	10	10	HKCE	
C[C@H](N)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	1946810590	UCGUAAZDAQHPBI-ZDUSSCGKSA-N	401.270	5.428	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)cc1Br	2034739442	LLCRZKVNHDUKKB-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
C[C@H](N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1)C(C)(C)C	2095913065	QCOZGUMXQJZXIL-INIZCTEOSA-N	416.359	5.988	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1CCc1ccc(Cl)cc1	2297564829	VTCBTYPPTMKZGA-UHFFFAOYSA-N	409.963	5.937	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(F)cc1	2313653390	WQMPDWRKUICPPT-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672408	MYVVUAHCGNMOON-UHFFFAOYSA-N	424.497	6.114	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3cccc(Br)c3)C2=O)cc1	2332098049	RWJUMGIBDZSJAI-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
O=[N+]([O-])c1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)ccc1Cl	6969835	NAHWCBGHNHDIFX-ZJNRKIDTSA-N	405.679	5.837	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	13637510	PWCLRDPFTLQHLL-IMSXRSKXSA-N	402.538	5.623	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639175	LYKAPODVLXHMMH-LQWHRVPQSA-N	400.316	5.301	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458199	AEPYVOSSIPBWCB-IBGGVINMSA-N	422.572	6.715	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461430	BOQKFCAMASWICW-BXTSTYNKSA-N	409.577	7.103	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467106	GZXFHBKBZPNCEQ-BIENJYKASA-N	404.293	5.702	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14546191	QAFAEUFKMAOPRX-WZOHSFFVSA-N	416.565	5.926	10	10	HKCE	
Fc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14549862	PHKMQUFBEZTYTM-FXSPECFOSA-N	401.481	6.110	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20758675	OAXLBWGWDIKMEN-LGVFNWMJSA-N	412.558	6.487	10	10	HKCE	
CCN(CC)/C(=C/c1cccc2c1C(=O)c1ccccc1C2=O)COc1ccccc1	97494904	FSICVFKGBPOUHC-LVZFUZTISA-N	411.501	5.224	10	10	HKCE	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1	208316023	CACROHVSBCDKTN-QGOAFFKASA-N	415.536	5.101	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1	526585490	BZAVAOHIZKIUFV-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
Oc1c(F)cccc1CN1CCC(N2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1	581803312	TYYRXAGKNDQYAB-VWLOTQADSA-N	408.561	5.503	10	10	HKCE	
COc1cc(Cl)cc(CNc2cc(NC(=O)OC(C)(C)C)ccc2Cl)c1O	705490084	NWLUYPVIDOFNPM-UHFFFAOYSA-N	413.301	5.667	10	10	HKCE	
CC[C@H](Nc1cncc(Br)c1C)c1cc(Br)ccc1O	722728750	WDHYFVJVUKKMGD-ZDUSSCGKSA-N	400.114	5.184	10	10	HKCE	
CC[C@@H](C)N(C(=O)CC1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910480	JIYIIPHHQNDQKY-QGZVFWFLSA-N	403.522	5.564	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1	1860076885	VOJBEKZYAGNLQJ-KGENOOAVSA-N	410.608	5.551	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1F	1860084854	RNASUSUHFSPDCR-KGENOOAVSA-N	421.518	6.332	10	10	HKCE	
CCOc1c(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cccc1OC	1865670381	XEQINZYFHFXMFX-NTCAYCPXSA-N	416.880	5.078	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676349	CLOARDZDMSRIOW-NLRVBDNBSA-N	424.544	6.156	10	10	HKCE	
COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc(C)c1-c1ccc(C)cc1	1866261524	RFGBJACCILDKPH-UHFFFAOYSA-N	422.531	5.681	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	1871287640	SCOZOTWICWFNBL-YBFXNURJSA-N	417.983	5.776	10	10	HKCE	
CN[C@H](C)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	1892590548	HXPAADDYCQWJLV-VGSWGCGISA-N	417.391	5.305	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1[N+](=O)[O-]	2321629630	QHAGQOVUAYLEEV-UHFFFAOYSA-N	414.508	5.133	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2321683260	WDXVMYIOWADNEY-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323791168	WVXAFGVOORMZFS-HZMBPMFUSA-N	414.365	5.368	10	10	HKCE	
CN(C)c1ccc(C=C2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1	2328654302	PGSCVRYPLPSIOE-RUDGLMBYSA-N	423.641	5.510	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(F)cc2F)cc1	2332129439	BRJVWEZCGJBLSP-UHFFFAOYSA-N	424.834	5.461	10	10	HKCE	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)(C)C)cc4)S3)CC2)c1	2315491	SMWUAVFLJQSJTD-XLNRJJMWSA-N	419.594	5.085	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479675	SDBMTHPUNUVJGX-GLDPYIMESA-N	406.526	5.060	10	10	HKCE	
CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O	20032730	XKFDZMHDSCRSGZ-JOCHJYFZSA-N	421.497	5.368	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691683	LZTAVKUEEFISSX-RFJFUGTDSA-N	423.600	7.450	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749308	KJMWDFQDCCOZJA-IPVFLDMMSA-N	424.544	5.494	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3cccc(C)c3)C2=O)cc1	33390818	DKILCMCDNFBODA-ZHZULCJRSA-N	411.596	5.112	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1	34139158	MQVPOSIDNNVWAQ-STZFKDTASA-N	410.429	5.269	10	10	HKCE	
Oc1c([C@@H](Nc2cc(Cl)c(Cl)cc2Cl)c2ccco2)ccc2cccnc12	54620353	ZTCYFIVRAHRLAJ-LJQANCHMSA-N	419.695	6.695	10	10	HKCE	
CC[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1cc(Br)ccc1O	716219861	IWAOPFHNETZCML-NDXORKPFSA-N	417.391	5.106	10	10	HKCE	
CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1083955321	IHYHHVJSAKPRRU-YADARESESA-N	415.537	7.412	10	10	HKCE	
Cc1nn(S(=O)(=O)c2ccc(F)cc2)cc1N=Nc1cccc(C(F)(F)F)c1	1088727881	NHZNUKNHLQATRR-UHFFFAOYSA-N	412.368	5.002	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1860076597	NYJDDSXRGLAJGZ-LDADJPATSA-N	422.402	6.742	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1cccc(F)c1	1865664558	SNRRIBJTLKGMGF-UYRXBGFRSA-N	408.835	5.448	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OCC	1865666958	XABYPAHTHMIYON-QNGOZBTKSA-N	406.526	5.160	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677009	QTONXGQXBKNRCH-JLHYYAGUSA-N	404.253	5.488	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)cc1C	2079985187	JZWZXDQUXFNDJS-LJQANCHMSA-N	419.363	5.684	10	10	HKCE	
CC[C@@H](NC[C@@](C)(CC)N(C)Cc1ccccc1)c1cc(Br)ccc1O	2098945569	GNGISPGCUYBRQM-IFMALSPDSA-N	419.407	5.496	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(Br)c1	2113623654	POQFHIVQOSPZKI-DLBZAZTESA-N	419.407	5.286	10	10	HKCE	
O=C(C=Cc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O	2293571069	LRTXLINAKOAETK-QFIPXVFZSA-N	402.881	5.437	10	10	HKCE	
CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S	2296700259	QVTJNHWQRUBZKH-UHFFFAOYSA-N	411.548	5.216	10	10	HKCE	
O=C1C(=CC(Br)=Cc2ccccc2)SC(=S)N1c1ccccc1	2297303262	MITHORDOJMFMMW-UHFFFAOYSA-N	402.338	5.371	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)c1	2321579686	OPHPXHGPFBHDEP-UHFFFAOYSA-N	412.580	5.337	10	10	HKCE	
Cc1ccc(CNc2ccccc2NC(=O)OC(C)(C)C)c(O)c1Br	2327624807	VGCPOLDGKKFHKZ-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
FC(F)(F)c1cccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	2330173805	VBLDLHNLKPMPIT-UHFFFAOYSA-N	424.470	6.111	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	2332099980	YRAYOAMCLRKFNG-UHFFFAOYSA-N	404.407	5.467	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2ccccc2Br)C1=O	1814089	BEAGQFUHGJHQMM-RTNVFWHRSA-N	416.365	5.801	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c(O)c1	13640342	PLAPINMFXAVWHP-ISJBWFOZSA-N	405.538	6.274	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	20689611	LRLYQHWPBGKXIY-UNIVCBNLSA-N	401.575	6.895	10	10	HKCE	
NCCCCCCCCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O	27420304	RFJSZYKAAPAXQL-UHFFFAOYSA-N	406.570	5.734	10	10	HKCE	
Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c1	39869637	DKOMVNDWKPBUBG-YBFXNURJSA-N	410.882	5.696	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226687248	KWNUQJYKRSAFEU-SLSDLSHTSA-N	422.594	5.242	10	10	HKCE	
CN1C(C(F)(F)F)=C/C(=C\c2sc3ccc(Cl)cc3[n+]2C)c2ccccc21	247824581	JBIKCQQBOQWIQN-UHFFFAOYSA-N	407.868	5.816	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cc(F)ccc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917119	LDMFHJFOOAFFDI-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cn(C)c2ccccc12	1865672931	OKULIBNIZADYTQ-LDADJPATSA-N	408.299	5.137	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1OC	1865677356	FPZMFKZMTAGYCN-ZHZULCJRSA-N	418.880	5.192	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)cc1Br	1915216762	KAVTWEZIDCMGTC-QFIPXVFZSA-N	419.407	5.116	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1	1977941770	PKSMSCOKIBSYNT-HSZRJFAPSA-N	411.590	5.360	10	10	HKCE	
Oc1nc(C(Cl)=Cc2ccc(N3CCCCC3)cc2)nc2sc3c(c12)CCC3	2040461336	LCISFPIQOLWQHS-UHFFFAOYSA-N	411.958	5.613	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080022163	GLJUYTLKVBDQMM-IBGZPJMESA-N	418.965	5.723	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231477107	UCZMLOHITMUTRD-KRWDZBQOSA-N	413.403	5.896	10	10	HKCE	
C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccc(N(C)C)cc1	2313504778	UZGVMJTZLSHECX-CPJSRVTESA-N	411.549	5.744	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	2332116563	BLTNFMFOPFUTLQ-UHFFFAOYSA-N	424.544	6.086	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@H](C)CC)ccc21	3585177	SEOBHRADMTVHJM-OAQYLSRUSA-N	423.670	6.464	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1	5185558	XXCVAIQAZFWSAQ-YYADALCUSA-N	424.544	6.480	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1cccc(C)n1	12512076	VDYABOXWBUYSPD-QHCPKHFHSA-N	406.551	5.651	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545482	FVAWLYDWWOVSCS-RLSLOFABSA-N	416.565	5.974	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c1	14550388	UBDWBIAJIHJVQM-IMSXRSKXSA-N	402.538	5.394	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14552306	LQXNSKYZNIYUML-WWOUZDQESA-N	420.578	5.144	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856233	MBVCNRSYACWQSL-PZPWOCDFSA-N	401.337	6.414	10	10	HKCE	
Cc1cccc(N=Nc2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)c1	254809074	UREUPLZDGBTWAZ-UHFFFAOYSA-N	424.504	6.588	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	384046271	OLNJWBNATXOVTE-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	1860085257	ZMCVCWKEGXHXPY-HMMYKYKNSA-N	411.592	6.179	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(C)c(C)c2)sc(C)c1-c1ccc(C)cc1	1865984703	ZSMXLYPSQSWGKJ-UHFFFAOYSA-N	407.535	5.617	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1	1866125799	YGSUXCDBRCIDNC-LZWSPWQCSA-N	409.283	5.476	10	10	HKCE	
CC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	1868178998	KXYSGHDRZGXJRJ-INIZCTEOSA-N	403.865	5.248	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccc(Oc2ccc(F)cc2)c1	1892070496	VIEIPWCPIQUJIW-UHFFFAOYSA-N	416.455	5.135	10	10	HKCE	
COc1cccc(O)c1CNc1c(Br)cc(Cl)cc1Br	2160715485	XRRCPEJUSGTWRR-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CC[C@@H](N[C@H](C)c1nscc1Br)c1cc(Br)ccc1O	2186651995	MECKGWGGVOJUKP-PRHODGIISA-N	420.170	5.176	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1C(F)(F)F	2313609426	HSNHNRYLXXIBQP-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	2313610563	ZSQQGPKYOJVNJN-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	653941	BFPNPUOQODBWAM-RQTOMXEWSA-N	416.546	5.622	10	10	HKCE	
Cc1c(Cl)cccc1NC1=NC(=O)/C(=C\c2ccc(N3CCCCC3)o2)S1	6167262	HIXKYJKKNUSIGH-SFQUDFHCSA-N	401.919	5.314	10	10	HKCE	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=N/c2cc(Cl)ccc2O)cc1	6420073	UIQCFVIVKQRSJQ-GHVJWSGMSA-N	415.902	5.282	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462164	XNKRXNCWSOATAO-WRALFONMSA-N	417.597	5.889	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549026	JQGGZAGPDYUVIM-IBGGVINMSA-N	404.513	6.778	10	10	HKCE	
Cc1ccccc1NCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S	59382168	RCEQTNCRIIETJE-DHDCSXOGSA-N	409.363	5.573	10	10	HKCE	
CCN(CC)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2C(C)=O)c(NC(C)=O)c1	90449949	RFZHYTGMDJEVDL-QZQOTICOSA-N	403.464	5.079	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21	226721402	AWBPOTGKIJPWQK-VGTOOOLASA-N	411.126	6.288	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)c1O	226729544	CDXWCDJBOSRRDI-IEGUWTFLSA-N	418.537	5.099	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C1CCCCCCC1	1858586360	BNUGQWNSJVEIDW-FOWTUZBSSA-N	410.402	5.763	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O	1858588676	RKRKWMOEMVYHLD-OMRIGTNQSA-N	417.625	5.039	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(Br)c1	2095877590	NLWRWCDSBFHEMD-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100218222	BFIQHGHBAUXYSR-LPTQZCDUSA-N	418.375	5.323	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2231452623	NFJVLNMFXQHXKP-RBUKOAKNSA-N	417.435	6.388	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C	2313609984	QKBOVWQVJFGEGB-UHFFFAOYSA-N	413.564	5.505	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	2321647178	NVQKQQRPRGOZDD-UHFFFAOYSA-N	409.557	5.673	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c(C)c1	2321660854	LVDWYLMDEOEEJF-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332099633	OHHZJMXZAMPZHD-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1O	2332124674	CJZSURDQNWEZJW-UHFFFAOYSA-N	419.706	5.394	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1Cl	2332148495	UGFVUDGMOZNJED-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CNc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(O)c1Br	2352693808	RJYIHHCTVVVZBG-UHFFFAOYSA-N	421.335	5.447	10	10	HKCE	
Cc1ccc(CNc2cc(F)cc(Br)c2F)c(O)c1Br	2380754369	PLYUVKJGBKGEDX-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
COc1cccc2c1O[C@H](c1ccc(N(C)C)cc1)N1N=C(c3cccs3)C[C@@H]21	5547606	VZCWOIYBUAIUCD-WMZHIEFXSA-N	405.523	5.065	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc1)CC[C@H](C)C2	6877984	SSVHYWMEZXNGEW-PWRODBHTSA-N	421.629	5.008	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477876	QNRZBEILOWIELE-VWKPWSFCSA-N	417.336	5.196	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	19893981	KZLTYUJLQWPSEB-KYTVRQNUSA-N	401.937	7.054	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2c[nH]c4ccccc24)[C@H]2CC=C[C@@H]32)CC1	20720368	LSMRAQVITBOAIN-JCWFFFCVSA-N	411.549	5.867	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O	33776437	HOQXVUWHNWEAIB-BKUYFWCQSA-N	405.544	5.871	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1	59230182	JIGMVKRLWQZUFQ-JCMHNJIXSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	210669220	HLMCPBJUISTXNN-CPNJWEJPSA-N	424.591	5.132	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1cc(F)ccc1O	312157574	UHIQHCFHXVCSAI-ZETCQYMHSA-N	423.507	5.883	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589605	AXIZNTMHWJHNBB-QKNJHCACSA-N	414.365	5.368	10	10	HKCE	
O=C1/C(=C\c2ccccc2)C(c2ccccc2)=NN1c1ccc(Br)cc1	1865649867	ILFJBOBPJGYUAL-HKWRFOASSA-N	403.279	5.284	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Br)ccc2O)c1	1925131509	IVNQGVOUCDRXSF-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CN(Cc1cc(F)cc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117995723	MHSDGJVKRHWAOX-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Cl)c(I)c1Cl)CCCC2=O	2150346324	WGFSKOAQXINFRE-UHFFFAOYSA-N	420.077	5.216	10	10	HKCE	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)CC1	2159118791	MSCRWGRNXLDQSH-HDJSIYSDSA-N	417.377	5.120	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	2321647855	OBIBBCDFEAKMNC-UHFFFAOYSA-N	411.592	6.177	10	10	HKCE	
COc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1OC	14479332	DXDDPOLUNLBEBR-SYTFOFBDSA-N	410.728	6.491	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14545840	YRWKWYSITGCRTG-XXAUWVGASA-N	424.544	6.188	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20692541	LJSKUVQRTMEAHQ-MVERNJQCSA-N	408.545	6.488	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)n3C)c2C)cc1	21128604	AQCBUOPRLBBJKB-UHFFFAOYSA-N	420.538	5.074	10	10	HKCE	
O=C1/C(=C/C(Br)=C\c2ccccc2)SC(=S)N1Cc1ccccc1	33406079	ODIYOSSGBUIWNU-LZTIWXADSA-N	416.365	5.367	10	10	HKCE	
CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1	33424132	SLPAIKVYOBQNBI-SSZFMOIBSA-N	401.897	5.276	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(Nc3ccccc3CC)=NC2=O)cc1OC	39870325	OOUBZCUOFCBBQK-QNGOZBTKSA-N	410.539	5.519	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2Br)cc1	59229601	CIAJRDUNBVSCNW-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(-c2ccccc2)c2cccnc12	102936849	IDIBQMZAZFYTMZ-HAVVHWLPSA-N	404.473	5.620	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226657110	OWVAHUMBGXRRQI-OTNCWRBYSA-N	401.575	6.895	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226701680	BPRZLPAZPVOYLE-ZFGGDYGUSA-N	422.355	7.399	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2c[nH]c4ccccc24)N3)c1	226812855	LIFUDCJVGYBSOP-NTOOTBGVSA-N	419.528	6.555	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1	526457047	TULQBCQCAVSHBK-XMMPIXPASA-N	416.496	5.566	10	10	HKCE	
Cc1c(NCc2cc(Br)ccc2O)cccc1NC(=O)OC(C)(C)C	702723388	PLYGJYPXPYLLED-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(N3CCCCC3)cc2)C1=O	1860085354	FYQRHHASNONURO-HMMYKYKNSA-N	410.564	5.091	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	1865678486	OHDTVXONTDWBAP-MOHJPFBDSA-N	404.469	5.683	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679845	JQVHMTODTZXIMO-LDADJPATSA-N	417.734	5.684	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2C2CCCC2)N2CCCCC2)cc1	1866230136	VYFBDSIWNMWPMQ-SANMLTNESA-N	419.613	5.367	10	10	HKCE	
CC(C)(C)c1nn(Cc2c(O)cccc2Br)c(Cl)c1C(F)(F)F	2079711966	JRFJIPNLDITSFQ-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1	2145451633	ZXVHKNORCHTDOW-IHWFROFDSA-N	405.369	5.374	10	10	HKCE	
COc1cccc(NCc2cc(Cl)cc(Br)c2O)c1Br	2165313963	WJGFFTOSXMXVJR-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Cl)c2O)CCC12CCC2	2233908631	VWSFNNVGKJTXOK-HNNXBMFYSA-N	415.361	5.111	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1F	2297356954	PFLFDNWAZJPPFQ-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1OCC	2332113807	LPPOXDZMENBXMN-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	14475591	SCDKSUFNBJZLCA-IPVQETTRSA-N	424.544	5.575	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477293	IKMQJQRVVJSKCK-XCGNWRKASA-N	415.364	6.350	10	10	HKCE	
CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	33931913	WKCSXSAKDGFIIE-CPNJWEJPSA-N	405.548	5.149	10	10	HKCE	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	98031541	ZAZGSLHWCOKTRH-HNRFISLBSA-N	424.330	5.021	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	103801615	IXPVPOSHMSMYLW-GICBFTDPSA-N	410.930	5.223	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226691738	APSFNPYPWDBLJJ-WIEQDCTASA-N	417.336	6.264	10	10	HKCE	
CC[C@@H](NCC1(N(C)Cc2ccccc2)CCC1)c1cc(Br)ccc1O	386682495	INMQPVVIGGZQPY-HXUWFJFHSA-N	417.391	5.250	10	10	HKCE	
Cc1ccc(Br)cc1NCc1cc(Cl)cc(Br)c1O	708173581	WFIAUTGDBCWHMG-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccccc1C(F)(F)F	1860086554	QHHZKWKICCSFPH-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc(C)c1-c1ccccc1	1866123523	QEMKEABDJZRBIL-UHFFFAOYSA-N	420.317	6.069	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(-c2ccc(F)cc2)cc1	1891682995	IFVDFOYDVCKTOI-DFBJGRDBSA-N	400.497	5.411	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Cl	1915402084	ZONQGAKLPLNCNA-UHFFFAOYSA-N	400.975	5.344	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2034704924	OMOVQOSVLAEBFG-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100223370	PXXVPBQDENGUIP-JHVJFLLYSA-N	417.391	5.289	10	10	HKCE	
CC1(C)C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CN(C(=O)OC(C)(C)C)C1	2172556154	DRRPOVMOOXTLNM-ZDUSSCGKSA-N	417.377	5.072	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1	2212702311	UVRFWVBXJLEQCP-QHCPKHFHSA-N	401.598	5.414	10	10	HKCE	
CCCN[C@@H](CCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236028701	TZHPEDJUYHZSGE-DEOSSOPVSA-N	409.574	5.034	10	10	HKCE	
CCCOc1ccc2ccccc2c1C=C1SC(=S)N(c2ccccc2C)C1=O	2297560987	CUUTUILDMVKXKJ-UHFFFAOYSA-N	419.571	6.343	10	10	HKCE	
Cc1cc(NCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)ccc1Cl	2297578520	KOKIILPLIWOPKU-UHFFFAOYSA-N	400.956	5.475	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12	2297578686	OPQVOYAFFSNZDM-UHFFFAOYSA-N	409.464	5.635	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	2332099760	BWZFICTYPJKRFZ-UHFFFAOYSA-N	420.862	5.982	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104707	JOQCTQDJBHXOBI-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1	9541297	SACYCUBACUGWEK-FYYLOGMGSA-N	421.338	5.686	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14464235	QRSKBPNEYOQXRJ-SYVJQLTCSA-N	423.560	5.054	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21)C1CCCCC1	14466306	OUANEEOYRIOZGH-XLNZFTOWSA-N	420.984	6.571	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14466532	OWQGXZQRYZRYDE-ZYLNGJIFSA-N	417.936	6.624	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467870	JBDBFJUXOJVUHR-YLNDJPJSSA-N	404.337	6.703	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	20710495	DYPWOUKXZMWTRH-UNVFRBQDSA-N	413.517	6.109	10	10	HKCE	
COc1ccc(-c2ccc(CCC(=O)N3CCCC3)n2-c2ccc(SC)cc2)cc1	23333818	SUNRYGKEBYBBRJ-UHFFFAOYSA-N	420.578	5.430	10	10	HKCE	
Oc1ccc2ccccc2c1CNc1cc(Br)ccc1Br	37121807	IWUYQWMOEKJUGD-UHFFFAOYSA-N	407.105	5.683	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54619845	GDJMTPOUKROARU-QFIPXVFZSA-N	418.518	5.689	10	10	HKCE	
COc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)sc2ccc(Cl)cc12	64756669	JTHDLIKNNRBGHZ-UHFFFAOYSA-N	414.958	5.484	10	10	HKCE	
COc1cc(NCc2c(O)cccc2Cl)c(Br)cc1Br	234926730	PBICLQYACIFWAX-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CC[C@H](Nc1cc(F)cc(Br)c1)c1cc(Br)ccc1O	387322417	COSYDXXBOHULIE-AWEZNQCLSA-N	403.089	5.620	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858590971	RIRGMLMRFYILHI-RGHBXIHOSA-N	412.418	6.009	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cccc(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910295	HJEUVQRQSSKAKG-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccc(C)cc1	1865767968	JQDDCSVBZBGBKO-UHFFFAOYSA-N	424.478	5.287	10	10	HKCE	
CC(C)c1ccc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1865902878	OQNRXORLSJXAOE-VMMYIZNOSA-N	419.613	5.233	10	10	HKCE	
CCc1nc2c(C)cccc2c(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c1C	1866273695	SPJLSWYTNFSCMU-UHFFFAOYSA-N	411.505	6.041	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(CSCc3nc4ccccc4[nH]3)c2)c1	1872888374	NERXYTYSLDUYQJ-UHFFFAOYSA-N	416.550	5.315	10	10	HKCE	
CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccc(N2CCCCC2)cc1	1977936807	WALNSICVBZFRAK-HSZRJFAPSA-N	410.558	5.148	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	2095954867	YZXBLONUZNDVMQ-GOSISDBHSA-N	417.435	6.388	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1OC	2297709161	CIHLXFLGWWGIDV-UHFFFAOYSA-N	400.430	5.477	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c1	2321698344	JQDUVFCXOQPKTQ-UHFFFAOYSA-N	405.544	6.033	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140698	CLZNXRLPWGVJIK-UHFFFAOYSA-N	408.423	6.445	10	10	HKCE	
CCc1sc(NS(=O)(=O)c2cc(Cl)ccc2Cl)nc1-c1ccccc1	6316311	OGKHHQNCVXEILB-UHFFFAOYSA-N	413.351	5.480	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14455974	VUHRDWAXUASMPY-KKLQWCBXSA-N	406.595	6.288	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457290	PCXPABKFQVDPGM-XLNZFTOWSA-N	418.537	5.099	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457778	YSWIJGVSPKBBHQ-WATLYSKOSA-N	422.594	5.223	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459486	SVKPGLDJNLQZFE-ZYLNGJIFSA-N	412.489	5.480	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2)c1ccccc1	14479078	MADRRKGBQRSKAN-DXBVXKBHSA-N	408.545	6.488	10	10	HKCE	
CCOC(=O)/C=C(/C)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O	101352565	DJXQDKQZDJDABV-XGCMIMOYSA-N	419.308	5.317	10	10	HKCE	
C[C@@H]1CCCCN1c1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	101473926	DOCXVVIXWTWDNA-ZGKJFVQXSA-N	417.473	5.923	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226690095	IQIPZKLNRWZTDU-ONBPZOJHSA-N	424.544	5.842	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226807064	ZSQOBVKHEWAYEM-DPLHUUCSSA-N	418.606	6.251	10	10	HKCE	
Cc1ccc(N=Nc2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	254714841	YDCZDGAYCWOERN-UHFFFAOYSA-N	403.442	6.579	10	10	HKCE	
Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1c(O)cccc1Br	706858220	PHBQIYQSJCCXLY-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CN1C(=O)/C(=C\c2cc(N=Nc3ccc(Cl)cc3Cl)ccc2O)SC1=S	1084212906	YFMQTDQUERTIMW-ZKBXDNEJSA-N	424.334	5.945	10	10	HKCE	
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(O)c(O)c1	1860798971	MMMBRWBGUPWGAE-UHFFFAOYSA-N	412.319	5.503	10	10	HKCE	
CCOC(=O)c1c(NC(=O)/C=C/C2CCC2)sc(C)c1-c1ccc(Cl)cc1	1866206588	BRADYYSWJOXLKN-KPKJPENVSA-N	403.931	5.848	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)c(Br)cc3C)c2C)cc1	1874162071	PNSRDCUGNJPXKR-UHFFFAOYSA-N	411.343	6.034	10	10	HKCE	
CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1Br	2080011785	FUOPDQVPTCGRSW-AWEZNQCLSA-N	423.351	5.052	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@H](C)O)c(Br)c2)sc1Br	2202297742	VGHOHFQLWKZZLD-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
COc1ccc(C(=O)N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2297532641	NNOKUDVNXTVZGY-UHFFFAOYSA-N	424.330	5.044	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccc(Br)cc2)cc1	2313671296	ZPMLBCADUQBFKS-UHFFFAOYSA-N	407.267	5.185	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC	2321604273	WIWXTRWSJYVISZ-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2)c1ccccc1	13638260	YDJAEHDIBUHYHV-PLXFJCCSSA-N	410.517	5.885	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	14463512	ONCMGFAFLZOGCI-SGIRGMQISA-N	404.554	5.403	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	14475207	CDYNEZKSKLVMSC-GCKMJXCFSA-N	400.736	7.627	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@@H]21	14553666	AFHGKOQTMJEKQH-BCQCSXDESA-N	424.544	6.473	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750406	DIQATWDVIANZFU-KLOGBUTCSA-N	415.364	6.348	10	10	HKCE	
Cn1cc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21	35074322	NVRVWKMOXLSPKX-UBKPWBPPSA-N	419.358	5.891	10	10	HKCE	
COc1cccc2c1O[C@@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	36059969	SULFABMBIPMFDQ-XXBNENTESA-N	422.868	5.002	10	10	HKCE	
CCCCN(C)c1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	101473044	PTUVFNDSEZSWTB-OCEACIFDSA-N	405.462	5.780	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2c[nH]c4ccccc24)N3)c1	226812846	LIFUDCJVGYBSOP-YRTUYQHASA-N	419.528	6.555	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2O)cc1	1074740191	AFLVJSJCGOFTTI-XRQQBNFDSA-N	407.642	6.540	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)cc1	1857850352	IASAOFCWUNLJNR-UHFFFAOYSA-N	423.006	7.146	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917915	ZEVMPSLOBFUUTG-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cccc(Br)c3F)cc2)cc1	1866138415	MFEHWEQQJAXFLA-UHFFFAOYSA-N	401.235	5.215	10	10	HKCE	
CC[C@@H](NCCc1ccsc1Br)c1cc(Br)ccc1O	2186699770	LMPRJQWZBZGENI-CYBMUJFWSA-N	419.182	5.262	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	2297459152	JWGVFIICPZGYQA-UHFFFAOYSA-N	415.251	6.199	10	10	HKCE	
O=C1C(=Cc2ccccc2)N=C(c2ccccc2Br)N1c1ccccc1	2313671137	IGHHWQCZEUEZOX-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccc(OC)cc2)cc1	2332139584	WNUWXRKVYWTBCW-UHFFFAOYSA-N	424.544	5.705	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3cccc4ccccc34)C2=O)cc1	2060342	LFZGMAMKQGGQLT-CJLVFECKSA-N	418.518	5.021	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(C)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642179	WGKJGYOSMKYXKL-PGKWVRKKSA-N	406.529	6.844	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456248	QQOWMSFQDZADNJ-STWLZBDKSA-N	414.574	6.454	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14458824	SEXUIYGXFZPLKU-IBGGVINMSA-N	408.545	6.393	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460706	YKKCRENVBSLMHG-LGVFNWMJSA-N	423.988	5.238	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14465386	IVOTVVCALWYQOV-UMFSSWHCSA-N	417.936	6.624	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@H]21	14467331	YPFZNUFODBMBMO-XIZWVBILSA-N	401.120	6.832	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21	14474295	MYIIHJJBQDGRNB-RLSLOFABSA-N	410.517	5.491	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20749812	WXOPBCXNEVXXMO-DQCZWYHMSA-N	424.544	6.093	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1	102644334	XXYFMFFFHARMHY-XDHOZWIPSA-N	420.852	5.413	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)ccc21	226635026	WFNYOCOVEJVKEX-NUANOYTQSA-N	423.516	6.858	10	10	HKCE	
CC[C@@H](Nc1cc(C)cnc1Br)c1cc(Br)ccc1O	313166704	UBJUJYRYVXIYBE-GFCCVEGCSA-N	400.114	5.184	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526426182	MEHQRRJSTHZLOE-OAQYLSRUSA-N	424.953	5.833	10	10	HKCE	
Cc1cc(Br)cc(N=Nc2ccc(I)cc2)c1O	1083890434	WBKPOBOSAJFNIX-UHFFFAOYSA-N	417.044	5.483	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3C)N=C2C)o1	1084504195	WGLJSOOMIPBTOK-KGENOOAVSA-N	415.449	5.532	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1	1860074840	RVHZPEMHDIDYDT-XNTDXEJSSA-N	422.394	5.577	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3c(C)cccc3C)C1=O)cn2C	1860084072	MXFVIVHQYKTVHI-VXLYETTFSA-N	408.548	5.210	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865674859	BLBKSJNUSRLRKE-PLRJNAJWSA-N	402.497	6.237	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F	1865675831	BXJKTFMMQUXGKW-WJDWOHSUSA-N	408.807	5.476	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(-c2cccc(F)c2)cc1	1891683074	LXPKNTUDDOOOOK-DFBJGRDBSA-N	400.497	5.411	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CO)c2Br)C(C)(C)C)cc1C	2079999063	GPMVKRPFARVSAI-SFHVURJKSA-N	421.379	5.147	10	10	HKCE	
CCN[C@H](c1ccccc1O)c1cc(NC(=O)OC(C)(C)C)ccc1Br	2090041407	ACQNIUHNPYJKDR-GOSISDBHSA-N	421.335	5.201	10	10	HKCE	
CC1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1	2296063138	NGRNOPIIKCAHJQ-UHFFFAOYSA-N	421.349	5.956	10	10	HKCE	
CC(=C1SC(=S)N(Cc2ccccc2)C1=O)c1ccc(Br)cc1	2296882048	HJXDRBIJSGUWNW-UHFFFAOYSA-N	404.354	5.241	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl	2297357565	RYYYFFTXMNDWKA-UHFFFAOYSA-N	405.331	5.881	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccccc3Cl)C1=O)cn2C	2321591256	FTHYKBXKTYARQB-UHFFFAOYSA-N	414.939	5.246	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629345	DKRWIBGRYQWSPV-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1Br	2321699248	VVXCAXKEKHWLKC-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S	2323850695	CCCUXSVEGUZTET-QGZVFWFLSA-N	421.628	6.044	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332104278	QZFZGWNYOXLNLQ-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cc(C)ccc2O)cc1	2332105193	GUVPSYUHGIGBDZ-UHFFFAOYSA-N	418.880	5.197	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332119383	HUGMUIIPXYMYAX-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467811	VHPRHOJUCROLQN-AVYPCKFXSA-N	420.336	5.941	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	20715814	ZPFPMLBAJUUGDW-PMAPCBKXSA-N	406.526	5.060	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53363794	JHIXXUCNRBZRAU-RCZVLFRGSA-N	420.484	5.161	10	10	HKCE	
O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccccc1	83313445	VKKODRGIBXGBMX-STZFKDTASA-N	421.518	5.811	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	206296362	RCSHGTKWLCSYPJ-XSFVSMFZSA-N	419.527	5.422	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1	526208298	HKUXLUITCVMYLY-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c2c1	1858591677	VDARUHCSLFWEFE-QGMBQPNBSA-N	414.939	5.231	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1	1860075078	HGZCJPNHTZRXFB-CPNJWEJPSA-N	416.999	5.900	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1ccc(F)cc1	1865664295	JVMAICCPRPCWEG-UYRXBGFRSA-N	408.835	5.448	10	10	HKCE	
CCCN1N=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	1865673884	CEEZNCPDYFUUKZ-YBFXNURJSA-N	403.309	5.584	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1	2297303039	NEAVZOXVSKEKMF-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1	2321592584	SZYQTNCVTOXAHI-UHFFFAOYSA-N	404.538	5.405	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CCC)cc1	2332119188	LSHJAEAFVIKPSL-UHFFFAOYSA-N	417.336	6.369	10	10	HKCE	
CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)NCc3cccnc3)c2C)cc1	4370860	FMKRSRCNJDFABH-UHFFFAOYSA-N	411.505	5.176	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1Cc2ccccc2S1	11967998	WFEDHHJJVZHADJ-UKILVPOCSA-N	411.526	5.468	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461116	FXYJSHWHXFSUGX-WHSLLNHNSA-N	400.316	5.770	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1	14469394	XLOSPAOVRBRTLG-NSVAZKTRSA-N	403.525	7.245	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1Cl	14477149	RLWOLQQOEWQZQB-MPCDZSKCSA-N	422.355	7.399	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14544782	HHSIAMOENSXZMH-WVMBUTMQSA-N	421.566	5.025	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2	14550590	BHKOAWWFDOGHLJ-HWBMXIPRSA-N	404.554	5.784	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764556	KFXUAGFVRDWBHE-GMAHTHKFSA-N	410.876	5.416	10	10	HKCE	
C/C(=C1/SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)c1ccc(Cl)cc1	39861741	XNLASEMKBWTFKV-WJDWOHSUSA-N	403.912	5.143	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1	53363086	HIMNHFKOCICJON-LADGPHEKSA-N	406.913	5.667	10	10	HKCE	
COc1ccccc1[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1	53363631	SMQZVYPOGFLROL-GBXCKJPGSA-N	422.912	5.285	10	10	HKCE	
Cc1cc(C)c2nc(Cl)c(/C=C\[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1	103519194	UKMJEINYWUBPSF-JRUKXMRZSA-N	417.940	5.142	10	10	HKCE	
CC[C@@H](Nc1cc(OC)ccc1Br)c1cc(Br)ccc1O	115932708	YEROSHLEFWYPTF-CQSZACIVSA-N	415.125	5.489	10	10	HKCE	
CC[C@H](Nc1c(C)cc(C)cc1Br)c1cc(Br)ccc1O	159561654	SRVBGAPVJHNEAY-HNNXBMFYSA-N	413.153	6.097	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2cc(C)cc(C)c2)cc1	205966157	BCQHIRTXKBHALN-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226667123	NZVQHNPIDDLHCY-UMFSSWHCSA-N	408.545	6.094	10	10	HKCE	
O=C(/C=C\c1cccc(Oc2ccccc2)c1)Nc1ccc(N=Nc2ccccc2)cc1	254382626	GFHUQHJLXFXLKQ-NCBPEGMCSA-N	419.484	7.546	10	10	HKCE	
CCCCC[C@@H](CC)n1ccc(=O)c(OCCCOc2ccc(N)cc2)c1CC	1857913655	SRCHDJFNCYLUJP-HXUWFJFHSA-N	400.563	5.372	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1[N+](=O)[O-]	1860084514	QHAGQOVUAYLEEV-VCHYOVAHSA-N	414.508	5.133	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865669309	HUGMUIIPXYMYAX-BOPFTXTBSA-N	408.807	5.477	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1OC	1865671046	HJJBIQKKOVFWBQ-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1	2150354620	DYIKMPJDMJFHRU-AWEZNQCLSA-N	417.377	5.072	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(C)CCCOCc2ccccc2)cc1Br	2231462619	GKEKIDSUDLTMRX-GOSISDBHSA-N	419.407	5.380	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S	2293402226	ABSHFEOTFIVUPI-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
Cc1cc(Br)c(CN(C)Cc2ccc(C)c(Br)c2O)s1	2380764603	FZDSMTBYROINGG-UHFFFAOYSA-N	419.182	5.228	10	10	HKCE	
CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1	6123716	CCZHFNGIUKLNJG-WCWDXBQESA-N	409.511	5.191	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14465473	CBRTXQZWYYPPBN-HWBMXIPRSA-N	417.936	6.624	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14476129	FOCDJZBLCJDQSN-XLNZFTOWSA-N	414.461	5.706	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2C)[C@@H]2CC=C[C@H]32)cc1	14478833	YVXFIZXLGVMSSB-ZEVJAHDQSA-N	424.544	6.473	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479601	LAGGYKHWHODWON-UZINWLIJSA-N	413.517	6.109	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14480525	LVJOJBZADYEREM-FBLLAGFSSA-N	410.517	6.164	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14552504	XFOCHMHJBQZNNS-ZVUIFXONSA-N	419.528	6.555	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(C)s2)N3)c1	14553536	FTJCSMICUWWJOT-MZLICYQSSA-N	400.547	6.444	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@H](c3cccc4ccccc34)[C@H]2C1	20698961	LHWVDCKLQWMYCU-NJIBMQBXSA-N	403.525	7.245	10	10	HKCE	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccc(Cl)c(Cl)c1	33387948	JGKNPEDYKSNJBW-GUSDSWBTSA-N	406.359	5.951	10	10	HKCE	
COCC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)c1	107527650	MGQUZKXDGFNPMQ-UHFFFAOYSA-N	419.525	5.055	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2)N1CCCCCC1	250823085	ULXFEKTWXZMBAK-LGVFNWMJSA-N	408.567	5.078	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)SC1=S	1858591040	VFQBVWUOBDNJJT-AWZALFRUSA-N	421.628	6.044	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(Cl)s1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917451	QCTCVPMMFNSQMF-CYBMUJFWSA-N	423.921	5.622	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(N)c(C)c2)sc(C)c1-c1ccc(C)c(C)c1	1866093773	FONMUQUYIOYOKR-UHFFFAOYSA-N	408.523	5.270	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(C)[nH]2)sc(C)c1-c1ccc(Cl)cc1	1866246675	ZEMVDMFFZVOPHH-UHFFFAOYSA-N	402.903	5.442	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c(=O)oc2ccc(Cl)cc12	1866293171	LMOFBQNCURWGOL-UHFFFAOYSA-N	420.852	5.382	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1C	1891907025	XWVLFTAKIOPYPN-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2095890456	OMHHILDHAHECST-UHFFFAOYSA-N	415.419	6.286	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100218538	DOSNPJNBIYIGRE-IWMITWMQSA-N	418.375	5.323	10	10	HKCE	
COc1ccc(Br)c(CNc2cccc(NC(=O)OC(C)(C)C)c2)c1O	2227748012	IRFUBVWKOPNZDS-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=C2C(=O)N(CCC)c3ccccc32)SC1=S	2296537598	ZRBAVBMRZWUQNB-HNNXBMFYSA-N	416.612	5.231	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1	2313681351	CFHTZRBBWFPHLG-UHFFFAOYSA-N	416.294	5.477	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc(Cl)cc1	2318684162	RYRJQNRWPNIUOB-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2318753362	JZNOHWOFVNEABZ-UHFFFAOYSA-N	409.454	5.428	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccccc1C(F)(F)F	2321672095	CVPDYOGIBQOWEY-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CC(C)CCN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S	2323872990	QBZNXIJUYAFKCI-UHFFFAOYSA-N	420.781	5.055	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OC	2332124609	VRUWHKSAWRZDON-UHFFFAOYSA-N	420.553	6.159	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N(C)C)cc1	5876772	ACQLRDCABUWKSN-OVCLIPMQSA-N	408.716	5.519	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(NC4CCCCC4)c1c23	6737913	NOPHOCYALAVEHG-UHFFFAOYSA-N	415.537	6.164	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(OC)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	13636248	OZGIEGSFSJTDEF-ZEVJAHDQSA-N	424.544	6.188	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)s1	14456633	IGBPPNUNCNMZCU-LJFZDNNRSA-N	406.595	6.288	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475251	PXGUXZYCEVQNBH-CLCZQPDDSA-N	422.572	6.729	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475486	VVDNEIQFNVCPRP-DURBRWELSA-N	423.600	8.016	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549141	QLFXOSTUMUCPNI-BCQCSXDESA-N	406.485	7.036	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2)[C@H]2CC=C[C@@H]32)cc1	20757972	YTYNTLVDDIWLOU-OTNCWRBYSA-N	410.517	6.164	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=S	97411132	QRWCXZYJZDLIOH-HYTQYMIGSA-N	417.571	6.503	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226653520	DWFMFZHNXOFTSW-KHVXQDHOSA-N	416.609	6.701	10	10	HKCE	
FC(F)(F)c1cc(CNC2CC2)ccc1N(Cc1ccccc1)Cc1ccccc1	303434083	RTAIPNPLIYOQMX-UHFFFAOYSA-N	410.483	6.164	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1	526437574	PMCKYOMBGSETTP-QFIPXVFZSA-N	418.518	5.074	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1	526552432	SLIOKXHNBOGOTH-FQEVSTJZSA-N	412.461	5.150	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	1860074722	GUJDLONSIOQPOD-KGENOOAVSA-N	422.575	5.401	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)c1	1860087740	QXPROMIDHYVPLK-OQLLNIDSSA-N	411.495	5.833	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1	1874709071	LGVODCXULWBRQE-UHFFFAOYSA-N	422.834	6.027	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccccc2F)nc1-c1ccc(-c2ccccc2)cc1	1892116750	DCPNRSOVRJGPEO-UHFFFAOYSA-N	424.522	5.725	10	10	HKCE	
C[C@H]1[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)CN1Cc1ccccc1	1916253337	PCWXYYSSAXIYCR-YWZLYKJASA-N	407.385	5.478	10	10	HKCE	
O=C1N=C(c2ccccc2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	2295494296	NKMNEOYORXTMEY-UHFFFAOYSA-N	410.838	5.569	10	10	HKCE	
CC(Nc1cccc2ccccc12)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683119	SDQOTJITRLXKLH-UHFFFAOYSA-N	403.485	5.977	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1cc(Cl)ccc1Cl	2321646980	BBSSRBXCKLTYBA-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	2321683295	KWRWBQLIGXMUGB-UHFFFAOYSA-N	408.592	5.637	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc4ccccc24)N3)CC1	14464531	DXYMKVIGPICXLR-CRRLPVGBSA-N	422.572	6.538	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477304	DGOUZPYNMYLWSD-PONJGIIJSA-N	415.364	6.302	10	10	HKCE	
CN(C)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(C)C)cc3)c3ccccc3n2)cc1	17062657	JYZURQWLRUTRQE-VULZFCBJSA-N	419.572	6.708	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(SC)cc1)[C@H]1CC=C[C@@H]21	20759413	SJEARSDUOATMNR-XQBPLPMBSA-N	408.567	5.001	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374563	SMVBVCZQWZJDHO-DFIYOIEZSA-N	416.351	8.126	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	101606943	LDOSGKZCHLLBDZ-HZHRSRAPSA-N	402.881	5.725	10	10	HKCE	
COc1cc(OC)c2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O	196509063	LJIJVORKSDFCIB-UHFFFAOYSA-N	416.473	5.569	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	251383322	UFTBGIXDRLKDFY-VHQFLLTFSA-N	415.364	6.348	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)n12	1858588807	CQYLQMDDSCLIFF-GYBQTFJISA-N	419.984	5.320	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S	1858591000	SPEWCXGCIWUTKK-TWQQJCIXSA-N	407.601	5.654	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2c2ccc(OC)cc2)cc1	1865675103	OZTYZCWLFNLSSB-XQNSMLJCSA-N	414.480	5.227	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(CSCc3nc4ccccc4[nH]3)cc2)c1	1872893583	HQTIKPSZLKYUDU-UHFFFAOYSA-N	416.550	5.315	10	10	HKCE	
COc1ccc([C@H](C)n2nc(C3CCCCC3)cc2C(=O)OC(C)(C)C)c(O)c1	2069892170	HCBLPOBWYJVKNB-HNNXBMFYSA-N	400.519	5.210	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2095870111	KTBUYKZAEZUKTB-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100218223	BFIQHGHBAUXYSR-NQERJWCQSA-N	418.375	5.323	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc2ccccc12	2297297034	MCDYQSYLKQNAAC-UHFFFAOYSA-N	418.452	6.219	10	10	HKCE	
CCCCCC1=NN2C(=N)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)N=C2S1	2297499635	QXDRDTYVKCOQAI-UHFFFAOYSA-N	424.551	5.630	10	10	HKCE	
O=C(C=Cc1ccccc1Cl)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	2313676592	HQZGQPWMWLCKDE-UHFFFAOYSA-N	420.925	6.282	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332119292	WWDAMACYEJMQIH-UHFFFAOYSA-N	424.544	6.074	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644302	OSTMZAHEKDUSMO-HFMPRLQTSA-N	401.554	5.205	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466646	WGIHOENDSAMYPB-PXIJXODZSA-N	401.337	6.559	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476410	QXMSPRFFVAPSOQ-WOVHNISZSA-N	412.489	6.309	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(F)cc2)[C@H]2CC=C[C@H]32)cc1C	14549814	KCRPJMWSQBBBTP-HWBMXIPRSA-N	412.508	6.521	10	10	HKCE	
COc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	20943393	MWOJNGIMPYJSOS-UHFFFAOYSA-N	417.431	5.443	10	10	HKCE	
Cc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccccc3O)CC2)c1	34680503	LAAGBMXUTGJQDX-UHFFFAOYSA-N	418.512	5.151	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1	54619856	MJMFYTDGGOOURG-JOCHJYFZSA-N	402.450	5.220	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1	83261475	IHOCDZPPZYNHDG-RCCKNPSSSA-N	419.527	5.893	10	10	HKCE	
CCCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc21	303242470	KNUXRDWCDIPZFA-XMMPIXPASA-N	419.956	5.540	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1cccc(Br)c1O	698169421	FMBLLPMOQFWCQG-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	1860084029	LWMWTEBPAIXQJY-FRKPEAEDSA-N	415.883	5.135	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668076	FJGKWBKXXDMWKI-XQNSMLJCSA-N	416.908	6.115	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2034820285	JYNMIUUDVXGXIU-QZTJIDSGSA-N	403.408	6.171	10	10	HKCE	
CC(C)c1nn(Cc2cccc(Br)c2O)c(Br)c1C1CC1	2079745824	APMMXYMJZZZFNO-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2231453515	QROZIHAMPADXJU-SFHVURJKSA-N	415.419	6.144	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2313609506	KCZOFIGFPQYPML-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)ccc1O	2321647084	KMSHLEVVHHBRGU-UHFFFAOYSA-N	423.515	5.056	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(C4CCCCCCC4)C3=O)c2c1	2323733074	XERXHWGLWOGHCO-UHFFFAOYSA-N	400.569	5.491	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(Cc4ccc(Cl)cc4)C3=O)c2c1	2323842719	JZYRAAPITUAKKD-UHFFFAOYSA-N	414.939	5.231	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	2329929950	CHYINDYTCQRPGB-UHFFFAOYSA-N	406.507	5.174	10	10	HKCE	
Oc1ccc(Cl)cc1[C@@H](c1ccccc1)n1c(-c2ccccc2)nc2ccccc21	5635479	GUBDLVZKWWBWQZ-RUZDIDTESA-N	410.904	6.700	10	10	HKCE	
O=C(NCc1cccc(F)c1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782056	ATZKNYWVRDJIHC-UHFFFAOYSA-N	424.519	6.092	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(=O)OC)cc4[C@H]4C=CC[C@H]43)ccc21	13642542	SIKQHTCFIBXJGO-LPOPLRKUSA-N	422.528	6.428	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462252	TTZKGCXNHHMTIU-FBLLAGFSSA-N	403.570	5.954	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475430	IHAOVWDTCDBECA-VWYPKUQYSA-N	417.552	7.288	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	14545143	YWHHCIAGUJEUCH-UTAZYMRLSA-N	411.549	6.011	10	10	HKCE	
COc1ccccc1-n1c(C)cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1C	20943443	GKWUWCMHDSFISH-UHFFFAOYSA-N	417.431	5.443	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1	32964118	HZHAZMCNVLHOPF-VKXGLNTFSA-N	413.506	5.050	10	10	HKCE	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1C1CCCCC1	33352617	MLIQZRDQXODBTL-ZHZULCJRSA-N	407.539	5.282	10	10	HKCE	
Nc1c(C(=O)OC2CCCCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3	40568272	MSUOGUKDSIXCMC-UHFFFAOYSA-N	412.580	5.975	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1	54620747	OMAAQLUZYCHVLZ-QFIPXVFZSA-N	413.477	5.104	10	10	HKCE	
Cc1cccc(-c2nnc(CN(Cc3cccs3)c3ccc4c(c3)OCCO4)o2)c1	96982663	LZEBSXUBVZCMSA-UHFFFAOYSA-N	419.506	5.085	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226833173	ZUALTXITNSUANZ-MCFFVMPBSA-N	401.337	6.559	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858588531	KRPRURLQOVMUFW-XITYMMIZSA-N	422.413	5.475	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1	1858590754	HLWUYJFTGNHWHX-GIJQJNRQSA-N	401.622	5.579	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3F)C2=O)cc1OCC	1858591241	GAWBPXXLOSSCBJ-XDHOZWIPSA-N	417.527	5.025	10	10	HKCE	
Cc1ccc(/C=C/C(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1	1859891870	PZYQWGFPOBEBDI-NTCAYCPXSA-N	409.485	5.225	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C(C)C)c1Br	2078981853	POJCGNVHLRQXDE-SFHVURJKSA-N	423.351	5.205	10	10	HKCE	
CC(C)(C)c1nn(Cc2c(O)cccc2Cl)c(Br)c1C(F)(F)F	2079834115	BNCRMFICZGOOPA-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cccc(CCNCc2cc(Cl)cc(Cl)c2O)c1	2151198039	AIKANXYBKXEIAG-UHFFFAOYSA-N	411.329	5.378	10	10	HKCE	
CC[C@@H](Nc1c(C)ccnc1Br)c1cc(Br)ccc1O	2235438078	OUXQQYPXEVNIJX-GFCCVEGCSA-N	400.114	5.184	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3)SC2=S)cc1	2321591383	CQNOGOUCILTMRX-UHFFFAOYSA-N	424.635	6.281	10	10	HKCE	
COc1ccccc1CN1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323759311	JPQNXBKFCNFXAZ-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
Cc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)c(O)c1Br	2327799365	ULUKQJOZVNSOFL-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332099756	BNGXWXLJOOTPJG-UHFFFAOYSA-N	406.835	5.986	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	2332107635	PHOJPURZYBKBET-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
Cc1ccc(CN[C@@H]2CC[C@H](C)C[C@@H]2OCc2ccccc2)c(O)c1Br	2352683386	HHMCPFDBWOSVLF-BEVDRBHNSA-N	418.375	5.327	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642842	KKKSFOMOQUNHGM-PLIGCNLOSA-N	422.572	7.430	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470420	JFVQWFJVJNMVOU-JPYHZWLXSA-N	424.544	6.441	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473183	RUIMFAJRYXIYMI-PMAPCBKXSA-N	412.917	6.500	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21	14548728	FLZNRVLWCMIHJP-DRMXPCRNSA-N	400.547	5.847	10	10	HKCE	
CCCCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	34981505	MERSFCSQZBABSX-CIPTZOQDSA-N	421.587	6.138	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363969	PAXNZKFDOVYBQJ-DHLKQENFSA-N	420.940	5.975	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12	101114231	DVKGAPHIKAHATG-CPNJWEJPSA-N	420.310	5.629	10	10	HKCE	
CC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526612591	UDRVMWGFRBJQPO-QFIPXVFZSA-N	418.518	5.074	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(F)c1	1860074690	DBSZBGQGIVTFGT-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S	1860075015	DQMLQCMFWLVQSF-VIZOYTHASA-N	419.984	5.380	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667436	WRZXWJNHSFHXBA-HKOYGPOVSA-N	420.512	6.588	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668295	PZZASWMVJCSSFF-HZHRSRAPSA-N	416.908	5.721	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c1	1865670107	IYPSDNDWOYVNBX-BOPFTXTBSA-N	408.807	5.083	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c2C)cc1	1874150699	AAOYNYLMDQBUEC-UHFFFAOYSA-N	404.510	5.468	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1946820777	BSBHKOKDVKCVQZ-JOCHJYFZSA-N	419.588	5.635	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	2034728136	KIYQEDSUFVKWTD-AWEZNQCLSA-N	415.297	5.689	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C	2085835712	LQWRQEZCEWDNJZ-UHFFFAOYSA-N	422.834	6.027	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc2cc(C)ccc2nc1N1CCCCC1	2297309486	YJHAGNKURXPNKO-UHFFFAOYSA-N	410.521	5.340	10	10	HKCE	
C[C@H](NC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1	2297327734	HDLBYRNZZOZVLE-KRWDZBQOSA-N	424.529	5.282	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1	2297375180	ZKIRNVKRHXPSDM-UHFFFAOYSA-N	413.496	5.343	10	10	HKCE	
CCCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1	2297467828	SDDHBGUOBPWXPC-UHFFFAOYSA-N	419.554	5.294	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1OCC	2321733903	ZPZBTDUWLBCZHY-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc(F)ccc3F)C2=O)cc1	2321758155	WXENUPZLXQSBMM-UHFFFAOYSA-N	418.534	5.212	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116544	ZIBPGDXDDIKHQI-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	2332122251	JWVLNORDXYXMEP-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1OC	2332140213	LNPWZXAKXIMDLA-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	6877893	IDYFQSGTVGZMCQ-HSZRJFAPSA-N	407.602	5.049	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@H]21	14545585	MNNVRGLKRFPTLE-WZOHSFFVSA-N	416.565	5.784	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccnc2)N3)cc1	14547714	DPBHRRQQHMVCRP-UMFSSWHCSA-N	423.560	6.458	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548671	SHCMSJHJLUJLOR-DNVFCKCGSA-N	422.575	5.053	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	381488782	LJSFRVWLBOGSGU-GOSISDBHSA-N	409.371	5.936	10	10	HKCE	
COc1cccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1	526148067	SCAHTHCPDXKRKZ-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1	526585494	BZAVAOHIZKIUFV-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1	1860074863	UIEFKQOHLKGLQI-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
CCCCCCOc1ccc(NN=NC2CCN(C(=O)OC(C)(C)C)CC2)cc1	1860487237	QVWNNMBSWHAJKG-UHFFFAOYSA-N	404.555	5.824	10	10	HKCE	
CCOc1c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	1865670087	IACSSBOMRVMRIA-XNTDXEJSSA-N	405.281	5.207	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)c2O)sc(C)c1-c1ccccc1	1866177280	LFIHIYZCNFCJCT-UHFFFAOYSA-N	401.871	5.121	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	2034709341	QCILDFKOKMUPAM-AWEZNQCLSA-N	415.297	5.689	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H](C)c2cscc2Br)cc1Br	2186593898	WUZUKVYABLKGCQ-VHSXEESVSA-N	418.198	5.490	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(Br)c1	2231465650	POHXRLBDPMJUDO-YLJYHZDGSA-N	417.391	5.133	10	10	HKCE	
O=C(C=Cc1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1	2297321659	AECOOYRQLMRJIX-UHFFFAOYSA-N	406.283	6.516	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12	2313681542	HNQPDCQXFQZISL-UHFFFAOYSA-N	400.526	5.085	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=S)cc1	2314488380	NXCIEIMQGRCVIN-UHFFFAOYSA-N	422.487	6.205	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2321734077	VXWWDWMCDCWWDA-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	2332103840	DFXZFXZZBSPEHN-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1O	2332125610	VNPAFWLVSVGUDN-UHFFFAOYSA-N	405.679	5.004	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	2332128093	PWUXIVRZJOAJIY-UHFFFAOYSA-N	403.791	5.165	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1F	2332129884	XXJPAKCEQKBKTP-UHFFFAOYSA-N	421.697	5.828	10	10	HKCE	
Oc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(O)c1	13640309	VLYIOAKHORVGNP-WOVHNISZSA-N	413.517	5.936	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14476929	BBXNZZDDEFTMPE-VFCRVFHLSA-N	402.321	6.387	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545032	LRHUKMGCRLVUCM-SSLSWHBASA-N	420.556	7.006	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc(Cl)c2)[C@H]2CC=C[C@@H]32)CC1	20695209	JWAJSKNXCFUJGA-ZRCGQRJVSA-N	406.957	6.039	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@H]21	20752065	VJBSRACITYZKNI-CUIZVGEVSA-N	413.517	5.930	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3C)N2)c1O	53365024	CUUIRQQHRLBKLC-OZXSUGGESA-N	416.521	5.330	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	250102972	YJMSLJBCHNFLRA-JBYIUTFZSA-N	414.596	5.186	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	250108524	GRXHDDHWKZGHIV-LMVRJCEZSA-N	408.929	5.075	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC12CCC2	379937953	NXZMAWXFDQHDDF-OAHLLOKOSA-N	415.361	5.111	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1ccccc1Cl	1084096108	ZFMOTKCOSUQABT-YRNVUSSQSA-N	416.774	5.570	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C1CCCCCCCCCCC1	1858587606	PBXJOVMXRNSMBH-CAPFRKAQSA-N	405.604	6.700	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(Br)c(Cl)c1C(F)(F)F	2079143960	QNMCOSJQAFAMRM-UHFFFAOYSA-N	423.538	5.091	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1cccc2ccccc12	2294082102	AUVCGMURVNNDIY-UHFFFAOYSA-N	413.473	5.116	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C=Cc1ccc2c(c1)OCO2)c1ccc(C)cc1	2297313765	YRHOSSYRHUPJNW-UHFFFAOYSA-N	422.484	5.613	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)c1C	2313502117	RAHDBOZOCUGVMJ-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
O=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	2313864693	ZURLIUNPVGOQJT-UHFFFAOYSA-N	420.925	6.282	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321569961	WAQCCQMNXXTFSF-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
COc1cc(C=C2SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1	2323700820	IZYJMEPLXUXCMU-UHFFFAOYSA-N	413.564	5.131	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	2332104952	IFYSFJFMWWHQQW-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1nc(C)c[nH]1	12159612	LAVZPTPNCLEQQC-OAQYLSRUSA-N	409.555	5.287	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457836	CEKVMWCQEPDYNA-CIXCFARBSA-N	414.593	6.501	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475402	UEVWVYYFPPGCMU-ZEZDXWPOSA-N	403.525	7.245	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476738	AWTSHMXYZGBDHA-BERHBOFZSA-N	411.545	6.879	10	10	HKCE	
CC(C)(C)n1cccc1/C=C1\C(=O)N(c2cccc(Cl)c2Cl)C(=O)N=C1O	18163738	UPHNEQBWVAOOJT-BENRWUELSA-N	406.269	5.057	10	10	HKCE	
COc1cccc2c1O[C@@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	169681535	SULFABMBIPMFDQ-CVDCTZTESA-N	422.868	5.002	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	226711135	ZDBBQYFTXVDHDX-DPLHUUCSSA-N	424.610	5.713	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226905222	QTASUACKHBFVMU-FGSXEWAUSA-N	408.548	5.375	10	10	HKCE	
CC1=N[C@H](c2ccccc2O)N2[C@@H](c3ccccc3O)Oc3ccccc3[C@H]2C1(C)C	247981878	XJJYBALJTNSPDP-CCDWMCETSA-N	414.505	5.732	10	10	HKCE	
CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC(F)(F)F)cc1)C3	606630454	LRNDHDTVMGJDDW-UHFFFAOYSA-N	405.372	5.001	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858591087	XFLXOPWJPFDDNE-XDUBLRSXSA-N	402.412	6.554	10	10	HKCE	
Cc1cc(=Nc2cc(C(C)C)ccc2O)[nH]c2c1c(C)nn2-c1cccc(Cl)c1	1859863733	RBEOSOBSTNQSME-UHFFFAOYSA-N	406.917	5.685	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1c1cccc(Cl)c1	1865664322	LOLYRYKGFKNFOT-AQTBWJFISA-N	411.263	5.967	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c1	1865670050	FZYNDWPXJDDFAP-JWGURIENSA-N	400.453	5.055	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccccc2C)cc1	1865680178	AVEIVIVKQWZSSE-PXLXIMEGSA-N	416.908	5.487	10	10	HKCE	
Cc1cc(F)cc(Br)c1NCc1cc(Br)cc(F)c1O	2240146853	IQDQQMQSIGNPNY-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1C=C1SC(=O)N(c2cccc(Cl)c2)C1=O	2297342240	IQCJMYKGUVBSBK-UHFFFAOYSA-N	414.697	5.896	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccccc4Cl)C3=O)c2c1	2321591287	RNDPNZNZVCTMDD-UHFFFAOYSA-N	400.912	5.236	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	2321607280	XUPMBMIFWFLKOJ-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OC	2332124489	HKSMBWRLEKNRCD-UHFFFAOYSA-N	420.553	5.550	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134040	CRBVLKDGMCGZGS-UHFFFAOYSA-N	424.500	5.324	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cccc(C)c2)cc1	2332141369	UJUAGIPIXIKTQG-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CC(C)(C)OC(=O)Nc1nc2cc(NCc3cccc(Cl)c3O)ccc2s1	2382177576	LSZVFAZQJLKLJG-UHFFFAOYSA-N	405.907	5.614	10	10	HKCE	
O=C1/C(=C/C=C(/Br)c2ccccc2)SC(=S)N1Cc1ccccc1	2993363	LRESSCJGHAHFMC-LZTIWXADSA-N	416.365	5.367	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459342	VXTSSIMMENZDSL-BCQCSXDESA-N	419.565	6.577	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475555	HHZJDLAONFMQBC-SKVJQKLOSA-N	424.588	6.929	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477340	HWUSAPDVRQJHBZ-VFCRVFHLSA-N	401.337	5.960	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@H]21	14546195	DGMPOGGTCCZMJQ-XLNZFTOWSA-N	402.538	5.394	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549228	SMVBVCZQWZJDHO-ZYLNGJIFSA-N	416.351	8.126	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549764	FGKOFPHZVQGCBV-KJMJZGGDSA-N	412.508	6.143	10	10	HKCE	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O)=C\c1ccccc1	15037427	CLXNNHSWPGDFRO-JMHCGQEMSA-N	422.575	5.171	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1c(C)cc(C)cc1C)[C@H]1CC=C[C@@H]21	20691716	TYAJLGVCGXSBFG-OWHZGTRUSA-N	404.554	5.205	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	226746951	HLZSALSDZRWUBC-HYFFOGBASA-N	423.900	5.311	10	10	HKCE	
CC1(c2cc(N=Nc3ccc(Cl)c(C4(C)OCCO4)c3)ccc2Cl)OCCO1	1565518418	PKWZPXVPJYHHAV-UHFFFAOYSA-N	423.296	5.848	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1OCC	1858587726	XQDYWPWHNMWUIS-XDHOZWIPSA-N	417.527	5.025	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588753	YCBOPIZPQSARPS-BAKNZFQUSA-N	401.597	5.501	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(CCC3=CCCCC3)C1=O)cn2C	1858590638	BYXBAIKQHQGECU-UDWIEESQSA-N	412.580	5.279	10	10	HKCE	
O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1860075093	GQLAXTWGTMFELK-KPKJPENVSA-N	422.375	5.458	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC	1865669183	FZCVCVWXGUANPT-PXLXIMEGSA-N	424.516	5.595	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@@H](O)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1977937367	YFEOKSNAHYOJDJ-HSZRJFAPSA-N	410.558	5.148	10	10	HKCE	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1Cl	2293127954	IOJMCDSPFCZPMP-UHFFFAOYSA-N	416.846	5.464	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)ccc1F	2321646865	QDMCPPQNRXCJML-UHFFFAOYSA-N	408.863	5.102	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1	2332133603	FGMWQMHNAIRHCK-UHFFFAOYSA-N	414.480	5.443	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OC(C)C)cc4[C@H]4C=CC[C@@H]43)ccc21	13642891	GYRTUHKLYZRKCX-PLIGCNLOSA-N	422.572	7.428	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21	14545761	LXZOGCBXZHXHNK-LZCXECNNSA-N	416.565	5.784	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20688383	NTUVMOHOFXMNNF-XZDHIHRUSA-N	403.547	6.341	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccc(Cl)cc1Cl	33400673	PNIUADITKIMPKT-GHXNOFRVSA-N	411.697	5.318	10	10	HKCE	
Cc1ccc2cc(C3=C/C(=C\c4ccc(OCc5ccccc5)cc4)C(=O)O3)ccc2c1	59472380	GKCAYIQAAVEXRB-WGOQTCKBSA-N	418.492	6.709	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226905329	ZZHMYGGIJGYHET-UMTXDNHDSA-N	411.545	6.533	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC(C)C	1865676081	PBVLMNPOTOPERP-LFIBNONCSA-N	403.309	5.977	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	1865680066	VQYUKOCYIPEDOX-JYRVWZFOSA-N	415.198	5.351	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Cl)c(Cl)c1	1891384991	NHPSEHJUTKSJGB-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1	1891910544	PAWUNJJRKVPPEA-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	1911690832	CJKLCGOPCGNADH-UHFFFAOYSA-N	411.423	6.010	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	1946785830	SBYHBCFYJQFZMQ-CYBMUJFWSA-N	401.270	5.298	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2034823566	WQSQFKHYUZLFSI-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
O=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O	2295338684	GYFXEHMQYVUZHW-UHFFFAOYSA-N	422.267	5.421	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1c1cccc(Cl)c1	2313533004	IKZMEXFUPRTOOY-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323831904	QJPSUVBECBZNCO-UHFFFAOYSA-N	417.427	5.317	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464464	SBEKMBZEFMXAST-HOKHCIIBSA-N	412.533	5.433	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476502	RNCXLUFPNPISRE-RHGYRFJNSA-N	422.355	7.399	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750173	ROLAFEXMLUVDFO-KUUHDYPXSA-N	415.364	6.348	10	10	HKCE	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cccc(-c3ccc(F)cc3)c2n1	33036854	UMRTUZYWYMBPLB-UHFFFAOYSA-N	413.496	5.345	10	10	HKCE	
O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1Cc1ccccc1	33315559	VEULDROBVIMNIO-QGOAFFKASA-N	409.557	5.832	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S	40928357	LFHAANYTESIUIS-CYVLTUHYSA-N	413.564	5.165	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226713012	AVIRPIXTDHCWCP-UMFSSWHCSA-N	415.964	7.178	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226879400	SDBMTHPUNUVJGX-YDIMBITNSA-N	406.526	5.060	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	250859694	AYJDDMJPUYMTDE-XZDHIHRUSA-N	414.574	6.155	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccc(N=Nc2ccccc2)cc1	256017891	JTRJRWSNUMOZLD-UHFFFAOYSA-N	411.425	6.287	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1	526264377	LCPLZYXAIAEJAJ-JOCHJYFZSA-N	418.518	5.074	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2c1	1860073411	CNAOPGVLESBWDA-UBKPWBPPSA-N	418.902	5.375	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	2034710872	VIVZQSOHQOAPNR-AWEZNQCLSA-N	415.297	5.689	10	10	HKCE	
CCCCN1C(=O)C(=CC=C2Sc3ccccc3N2c2ccccc2)SC1=S	2295148746	DDCPBMKKBSCABF-UHFFFAOYSA-N	424.616	6.316	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1C	2297576989	HMPUJGYJBXFAIG-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccnc1	2297617211	FIXRKJFLAMFVTB-UHFFFAOYSA-N	403.279	5.315	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2cc3ccccc3nc2N2CCCCC2)SC1=S	2314647562	CEJQOBJDSXSFIZ-UHFFFAOYSA-N	411.596	5.082	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	2323888674	BNGWRXISUVPGSA-UHFFFAOYSA-N	423.481	5.506	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099740	ZWCMXAKHDGCRGV-UHFFFAOYSA-N	401.337	6.093	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103911	GXKFCGUAKIPCLV-UHFFFAOYSA-N	410.098	5.562	10	10	HKCE	
CN1N=C(C(F)(F)F)C(=Cc2c(OCc3ccccc3)ccc3ccccc23)C1=O	2332132985	PEEGYLYFGKQJJH-UHFFFAOYSA-N	410.395	5.193	10	10	HKCE	
Cc1cccc(C)c1OCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	5943079	KKOQSEYVTYETTP-AREMUKBSSA-N	411.501	5.447	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460610	GTFSXTJKNIFVPV-ARESOWRYSA-N	416.974	5.243	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463073	FFIGILPOGBWXLG-ZEVJAHDQSA-N	414.593	6.653	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14465094	HXIMPCSTCDQPQI-MZKRTTBSSA-N	406.957	6.229	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476299	FCLGRLIBQFVQFB-XLNZFTOWSA-N	422.355	7.399	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480676	MRKCZNKOMAEUEK-WRALFONMSA-N	416.565	5.974	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550491	GLXMAVNOUGVXSY-PNIUZAESSA-N	411.545	6.533	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	59396469	YOQQZUUESHSSCB-AQTBWJFISA-N	414.508	5.180	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl	59959173	OBEPMLKGPABHOK-GDNBJRDFSA-N	406.240	5.010	10	10	HKCE	
CC[C@@H](Nc1c(C)cc(C)cc1Br)c1cc(Br)ccc1O	159561760	SRVBGAPVJHNEAY-OAHLLOKOSA-N	413.153	6.097	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226675367	BTNZLFHZXGZHQP-SLSDLSHTSA-N	415.581	5.595	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1	226793408	RRKVMQVSZQAEEY-SLSDLSHTSA-N	416.565	5.926	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2)c1ccccc1	226856517	DGEKQOGKENOJIF-NTOOTBGVSA-N	419.528	6.271	10	10	HKCE	
O=S(=O)(c1ccc(N=Nc2cc(-c3ccccc3)ccc2O)cc1)N1CCCCC1	252461884	NVVAFGNJKKQBJK-UHFFFAOYSA-N	421.522	5.649	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860075173	NSRGWCJQIRVQLG-IZZDOVSWSA-N	417.320	5.369	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	1860086618	WDRNBNFQHFZRRM-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2C)cc1	1865680877	YVQXMTBRTPAIAO-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1cc(Br)c(CN)cc1F	1915364998	QTOCHVUKEXIRRK-CQSZACIVSA-N	419.363	5.876	10	10	HKCE	
CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C(C)(C)C	2079615925	VASPQKCPLTZGLQ-UHFFFAOYSA-N	405.258	5.278	10	10	HKCE	
CN(c1ccccc1)c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1	2297303379	BLWNLZCVGXIRRS-UHFFFAOYSA-N	402.544	5.860	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2321643989	LPCRKKBQEJUUKL-UHFFFAOYSA-N	406.488	5.462	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(C(C)C)cc2)cc1	2332103945	FHYQWWGKXQVTJW-UHFFFAOYSA-N	410.517	5.649	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477750	RUGPGDAYVXBFRS-DRSNIGMVSA-N	404.337	6.235	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549139	VJVBPOWBQPHFRH-LZCXECNNSA-N	422.484	6.736	10	10	HKCE	
CC[C@H](NCCc1ccc(Br)s1)c1cc(Br)ccc1O	226364817	PTYCNMOZOJCHSP-ZDUSSCGKSA-N	419.182	5.262	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1	226722873	NVUBKPFYXZLUSG-XFQAVAEZSA-N	421.799	7.320	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(N(C)C)cc2)N3)c1	226804543	IGKQAVUYESVTGK-ONBPZOJHSA-N	423.560	6.140	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1NC1CCCCC1	256018172	ZSPLELRVZPRIIV-UHFFFAOYSA-N	417.473	6.288	10	10	HKCE	
CCc1cc(Br)ccc1NCc1cc(Cl)cc(Br)c1O	708100939	XUYIUVWJUAHXOE-UHFFFAOYSA-N	419.544	5.745	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1	1860084914	XWYDBIVHXZDGER-OQLLNIDSSA-N	408.331	5.602	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1	1860087408	VKGYYKMBHZBMPO-YBFXNURJSA-N	418.534	5.212	10	10	HKCE	
CCCCCCOc1ccc(/N=N/N2CCCN(C(=O)OC(C)(C)C)CC2)cc1	1860487412	XUDWUXRKGPNKQC-WCWDXBQESA-N	404.555	5.587	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1OCC	1865666961	XAUQGGFZOAMAKJ-CJLVFECKSA-N	406.526	5.456	10	10	HKCE	
CC[C@@H](N[C@@H]1CCCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2102361889	IFBHGUBBFSTMRW-TZIWHRDSSA-N	417.391	5.250	10	10	HKCE	
CC1(C)C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CN(C(=O)OC(C)(C)C)C1	2172556153	DRRPOVMOOXTLNM-CYBMUJFWSA-N	417.377	5.072	10	10	HKCE	
CCCCN(C)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21	2297464885	AGDWQASCZMMXMS-UHFFFAOYSA-N	400.526	5.137	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	2313609115	DCVXZRJIGJAFON-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c1	2332116625	IYPSDNDWOYVNBX-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141654	NJVQRCGSTLCPBQ-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)cc1C	5261762	OAZGIUZUPJQCAY-UHFFFAOYSA-N	420.582	5.490	10	10	HKCE	
C[C@@H]1CCCN(c2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)C1	6738012	OMOIBQHOZQXZCL-MRXNPFEDSA-N	401.510	5.266	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458142	DWFMFZHNXOFTSW-AZSVPQILSA-N	416.609	6.701	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458218	CORUKKWVRGLUDJ-WCYRKSIYSA-N	408.545	6.691	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCCC1	14550877	QIJQZQSOSNPUBK-CNNODRBYSA-N	403.482	5.047	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226878121	SYPBPWPUKYHNHS-UMFSSWHCSA-N	408.545	6.094	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2Cl)cc1	526584483	KWNJBLYHZOWNDK-HXUWFJFHSA-N	410.926	5.525	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cccc(NCc2cc(Br)cc(F)c2O)c1	715802764	BEJILZDJQXOCSD-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cc(Cl)ccc1Cl	1860084996	FBFNKDAXGRJSCI-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	1865668733	MVWRKFODZBYZBV-KQWNVCNZSA-N	416.908	5.963	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865674645	PQNMCERACTZKPW-PXLXIMEGSA-N	416.908	6.034	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccccc1OC(C)C	1865676252	YUWGXELCLBAFLB-GHRIWEEISA-N	414.908	5.848	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3csc(-c4ccsc4)n3)SC2=S)cc1	2041526089	GJOKHVSMLMFQKX-UHFFFAOYSA-N	400.575	5.586	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1C	2297576631	XYLLKZZCVYXJDC-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	2313507612	XABBJUWOSNVSPI-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321586579	SYDFBTRVBXJJMO-UHFFFAOYSA-N	424.330	5.170	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113586	MBGJWAAFHYWQNG-UHFFFAOYSA-N	418.924	6.084	10	10	HKCE	
Cc1ccc(CNCc2c(Cl)cccc2Br)c(O)c1Br	2381136269	CXEJSLFMRKWQSJ-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703697	RUOHBHHBWMBFQJ-ONBPZOJHSA-N	411.545	6.879	10	10	HKCE	
O=C(Nc1ccc(Cl)cc1)/C(=C\c1ccc(O)c(O)c1)c1nc2ccccc2s1	96759051	GURNIKSSHIVZBQ-LFIBNONCSA-N	422.893	5.540	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899290	FGUQIAYQUVLUQJ-MQNCWCGJSA-N	419.568	7.998	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1	526169467	NMFFJSKXYOTSJM-QFIPXVFZSA-N	404.535	5.488	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526399677	RFDULICKCGLKQB-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1	526539972	DFTPMWVRYYTXKI-FQEVSTJZSA-N	412.461	5.150	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656923	XQVDHTOGCADCNX-NTEUORMPSA-N	424.125	5.952	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1Cl	2297344949	OJFNBFFRYCGBBH-UHFFFAOYSA-N	414.697	5.589	10	10	HKCE	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	2297362203	CAECPSVPLDCWFW-UHFFFAOYSA-N	406.825	5.104	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	2313609435	HYTMTDDTCQRRMA-ZDUSSCGKSA-N	400.491	5.176	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1ccc(F)c(F)c1	2318753390	PKOCTPWVJXFBNT-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)c(Cl)c1	2321576602	CYZGUWBIMVGKND-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1	2321661036	XONXRAFZTKXDHG-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
CC(C)c1ccc(C=CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	2325129604	OQNRXORLSJXAOE-AREMUKBSSA-N	419.613	5.233	10	10	HKCE	
CC(C)N(C(=O)C=Cc1cccc(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329521011	VTGPUGAHVQFBPF-UHFFFAOYSA-N	413.448	5.056	10	10	HKCE	
CC(C)C[C@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ccccc1Cl	6563870	KWEHWLTVBHUFQC-SFHVURJKSA-N	411.014	8.081	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458179	NDMQJAXUYDFISY-OYSWMMLKSA-N	416.565	5.347	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14460533	PREVMOAUSPBGCF-FXSPECFOSA-N	401.937	6.788	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1	14461615	NVUBKPFYXZLUSG-CKJXQJPGSA-N	421.799	7.320	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462261	GOYHTTGLZQDZCM-VMODYCNZSA-N	417.597	6.344	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464349	ZPBYFTKKBBOIFP-DILYWTOHSA-N	417.552	7.288	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20718465	KPMVVNJQFLAJMG-NDDXJGTKSA-N	418.540	7.419	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc([N+](=O)[O-])cc3C)c3ccc(F)cc3)c(O)c2n1	54621811	HPELWLZIWUXSKN-JOCHJYFZSA-N	417.440	5.806	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCCCCC1	226725739	XGGXAOCNXKAFPP-RGODFAACSA-N	422.572	6.683	10	10	HKCE	
Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)s1	256020145	DJXADBMHCGMCRZ-UHFFFAOYSA-N	402.479	6.688	10	10	HKCE	
Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cccc(Br)c1O	690835682	FSTPFSXKGIONGL-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1cccc(Cl)c1	1084087179	ZEIGAYLHDODDFZ-YRNVUSSQSA-N	416.774	5.570	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1	1858594296	SYFJGNPZPIVUBW-GDUPUGJQSA-N	408.592	5.033	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865654557	XKISNBDNPGKDHA-XFFZJAGNSA-N	403.162	5.481	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079972517	VZLKMMRDUQOLQK-IBGZPJMESA-N	406.954	5.795	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	2321586495	HTUFYHBTVTYNHZ-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1CCc1ccc(F)cc1	2323858516	GHNCHHPMFCRAPG-UHFFFAOYSA-N	412.338	5.576	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332103871	FKDPYMXGMJVNLF-UHFFFAOYSA-N	414.119	6.102	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccccc2C)cc1	2332148726	CMBIAMBZHPNRLR-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCN(Cc1ccccc1)Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12	5182748	PLSSPSAXQGQYQT-UHFFFAOYSA-N	406.526	5.141	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459850	BOZXTOHFXVPARW-IXFSTUDKSA-N	418.537	5.244	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465762	WXYZSLCFORXDRN-DPLHUUCSSA-N	400.909	6.419	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477558	ITHICTYULOQTJV-QEEYODRMSA-N	423.365	5.070	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14480122	FDPYUXQTYZNELD-FBLLAGFSSA-N	400.566	6.226	10	10	HKCE	
COc1cc(Cl)cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1O	15016856	CTMMFJRACJWHSJ-IERDGZPVSA-N	412.898	5.358	10	10	HKCE	
O=[N+]([O-])c1cc(/C=C\c2nc(-c3ccc(F)cc3)cs2)ccc1N1CCCCC1	33507911	GSSOYIDGYDGIDF-WZUFQYTHSA-N	409.486	6.018	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226676390	XCNYJGMDQYBGAI-XLGIIRLISA-N	403.570	6.098	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226746361	GAZPJJGDQIZVQR-YZIHRLCOSA-N	415.964	7.178	10	10	HKCE	
Cc1ccc(NC(=O)COc2ccc(N=Nc3ccccc3)cc2)c(Br)c1	254391195	NBNRKHFKYCHZGN-UHFFFAOYSA-N	424.298	6.190	10	10	HKCE	
CC[C@@H](NC[C@@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1O	379656506	PIKWCXTZCKTHLU-PZJWPPBQSA-N	417.391	5.250	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1c(O)cccc1Br	706835004	APEHALUKBDQBRZ-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cc(F)ccc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859910677	LMSCWLCOKFFPLW-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860075126	JLHXGPROXINUNL-LZWSPWQCSA-N	402.274	5.677	10	10	HKCE	
O=C1/C(=C\c2cccc(Br)c2)C(c2ccccc2)=NN1c1ccccc1	1865656594	MVDIYFXKKHZYKK-HKWRFOASSA-N	403.279	5.284	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667261	NGEIJSBFBAZNEY-RCCKNPSSSA-N	418.924	6.084	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1866157936	UKXLSFSQNUVGER-DTQAZKPQSA-N	420.534	5.564	10	10	HKCE	
CC(C)(C)c1nn(Cc2ccc(Cl)cc2O)c(Br)c1C(F)(F)F	2079703287	ZRIBNWUXIKZDCY-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
CNCc1ccc(N(C)[C@@H](C)c2cc(Br)cs2)cc1Br	2186576364	MDSUPBSJMQNJAN-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1	2294061159	IWGGCKUVQRAERR-UHFFFAOYSA-N	416.452	5.219	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2321664043	SHQMDFZGYJSHQI-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332107719	XBCIWJKTSYXBBD-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332119324	BACSKKQQYYGAAT-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635504	SUOGDQFSTRBFLS-ZEVJAHDQSA-N	424.544	5.494	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14458952	IZUIAUYTMUFVJT-XLNZFTOWSA-N	412.489	5.480	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477560	ITHICTYULOQTJV-STXHMFSFSA-N	423.365	5.070	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545131	PWHCFVPOEBEQNR-BNIKKZEQSA-N	413.565	6.257	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(O)=NC2=S)cc1	38159938	WEVUWQJYWHPRLT-UYRXBGFRSA-N	403.507	5.182	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4)o3)c2C)c1	46882287	XCWULMKEERPQQD-UHFFFAOYSA-N	403.507	5.428	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362913	UELUDUHRLBGDFP-LADGPHEKSA-N	422.912	5.285	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(/N=N\c3ccc(-c4ccc(C(=O)O)cc4)cc3)cc2)cc1	103284766	QODCKSFTCDHBIO-DQSJHHFOSA-N	422.440	6.832	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2	226854202	JKYMJCJIPZNQRN-IECBHUPTSA-N	408.498	6.086	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2cc(Cl)ccc2o1	1859706829	CTXNPTVQHWXVNL-UHFFFAOYSA-N	401.805	5.114	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	1860086105	KEZFIVIOQWXUHI-LICLKQGHSA-N	407.919	5.672	10	10	HKCE	
FC(F)(F)c1ccccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860486318	XLEHRPPZQDZEEG-ZQHSETAFSA-N	424.470	6.111	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc(Br)ccc1F	1865673798	XPJGWSIKHMAEEJ-VCHYOVAHSA-N	401.279	5.007	10	10	HKCE	
CCCCCCOc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871124111	OIZPPIVGOTYRFM-UHFFFAOYSA-N	419.569	6.183	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1Br	2079978911	IVPSXPLXYYABTR-HNNXBMFYSA-N	421.335	5.022	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	2297554069	PAVWUZMWFPAXJX-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1[N+](=O)[O-]	2313610391	XKFYIDLWPUDYJT-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	2321745686	IREMKCYCKZHZBF-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323850855	RIRGMLMRFYILHI-AWEZNQCLSA-N	412.418	6.009	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332107620	NXFAMHBYCRDRGO-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)cc1	2332122213	GAQOSHRYSRPGFC-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1	2332144862	UUXSNZBIBMNJHU-UHFFFAOYSA-N	401.422	5.040	10	10	HKCE	
COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2cc(C)cc(C)c2)c1	5196321	NISVZICVDYEBAT-KQWNVCNZSA-N	412.489	5.155	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641065	LTTOSZJGXVJENP-WTOJCKNJSA-N	406.309	5.846	10	10	HKCE	
CCOc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21	13642662	FFLYWWATXXBUOA-BKCZMFJTSA-N	408.545	7.040	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476411	QXMSPRFFVAPSOQ-ISJBWFOZSA-N	412.489	6.309	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549362	UMMMYUUJAWCKLE-ITLAICGJSA-N	421.540	6.845	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526298067	VGPXKUKTFGDUNR-VWLOTQADSA-N	412.533	5.898	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865674698	SRFQIZKIGPADQJ-PXLXIMEGSA-N	416.908	5.721	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)cc1Br	1915189335	ORGKDOCNARZLPX-JTSKRJEESA-N	419.407	5.287	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2cc(Br)ccc2O)c1Br	2079832637	XMPLKJOCHYNLOG-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080012892	VUWPKJWTDPTAMW-GOSISDBHSA-N	406.954	5.579	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cccc(F)c1Br	2089776248	CZHPZTRWEOHECI-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
COCCNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Cl)c1	2152195485	DSDVQMGFMRCUAZ-UHFFFAOYSA-N	400.872	5.035	10	10	HKCE	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(Br)c(Br)s1	2281270002	GPAUPCFKEYBSDT-SECBINFHSA-N	417.166	5.059	10	10	HKCE	
Cc1ccc(OCc2ccc(Cl)cc2Cl)c(C=C2SC(=S)NC2=O)c1	2297358864	OOYFDWYOEHGOLD-UHFFFAOYSA-N	410.347	5.370	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1	2297452889	ICSJZAWNONFROG-UHFFFAOYSA-N	403.956	6.134	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC(C)C	2297459123	BKJAJBZKHIYEJG-UHFFFAOYSA-N	419.308	5.595	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(C)cc2Br)o1	2297459870	LSMSFMPNVDHIKC-UHFFFAOYSA-N	421.294	5.824	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2314732776	XVRSTTQKESVFIP-UHFFFAOYSA-N	411.548	5.177	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462273	QBORNAJWSJUHFN-UMFSSWHCSA-N	417.597	5.889	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546988	HVCFLPMDYSBMFM-VKIFBMEASA-N	415.364	6.350	10	10	HKCE	
CCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccc3ccccc3c2)N=C1C	33446859	XUQIFJABJLNQPT-PXLXIMEGSA-N	415.449	5.343	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)cc1	100148276	KFUUBFAATHLZHU-IMRQLAEWSA-N	418.496	6.225	10	10	HKCE	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226693956	NRZNAJUXFFXALJ-CKNLXJGOSA-N	404.293	5.754	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C	1772743239	BSIFFIRBMWQORS-UHFFFAOYSA-N	419.397	5.788	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1860086904	OHPIZTRNIIBQPZ-XMHGGMMESA-N	421.591	5.304	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1c1cccc(Cl)c1	1865659000	YCJOOUQYEGOCRM-JLPGSUDCSA-N	408.888	6.328	10	10	HKCE	
CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	1865672648	IVQXWCCFSSLQBT-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679549	SISCKLDJWIMOHJ-LFVJCYFKSA-N	414.480	5.597	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCCCC2)cc1	1865949075	QMWCONVOAICUTB-OAQYLSRUSA-N	420.384	5.016	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(C)ccc3OCC(C)C)c2C)cc1	1874138839	QHEVPYAXIBKQAR-UHFFFAOYSA-N	406.526	5.698	10	10	HKCE	
Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1	2295914069	IJIHKKJCGWGGKT-UHFFFAOYSA-N	410.524	5.014	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)O2)cc1	2313510584	SVTVAGKKKBPSNH-UHFFFAOYSA-N	413.256	6.243	10	10	HKCE	
CC1(C)CC(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)CC(C)(C)N1	2323790015	WQXQUPDEDNWISZ-UHFFFAOYSA-N	410.608	5.350	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)c1	2332116636	JUPZESRNBQWMRO-UHFFFAOYSA-N	402.416	5.046	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	2332119483	MDRQRFLCJSCUJO-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
O=S(=O)(c1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1)N1CCCC1	6530264	IACYCUUUYQUAHI-WCWDXBQESA-N	407.495	5.259	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13636457	LQKJSTIKJIWKQY-VYKTZEHYSA-N	424.544	6.093	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458113	QXQNEPALSHPYQS-LLJLJFOGSA-N	408.973	6.830	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	14466760	NJUKCGDGRJZKFF-OVCNXMPXSA-N	408.929	5.075	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14467008	VVFACDGOHVZMEB-PMAPCBKXSA-N	424.327	7.318	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547032	MBVCNRSYACWQSL-PDSXEYIOSA-N	401.337	6.414	10	10	HKCE	
Cc1cccc(COc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)c1	20032214	HQEAYAMRTMFDRK-HRIUQOHOSA-N	409.898	5.004	10	10	HKCE	
Cc1ccc(-c2cccc3c(C(=O)NCc4ccc(N(C)C)cc4)cc(C)nc23)cc1	33036984	XAYRYHCAJYSNHR-UHFFFAOYSA-N	409.533	5.515	10	10	HKCE	
COc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1OC	54621768	RUXMMMZTZVFPGX-QHCPKHFHSA-N	418.468	5.607	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1cccc(Br)c1O	310650452	PUAFVMPEIGORSD-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
COc1ccc(O)c([C@@H](C)NCCCN(Cc2ccccc2)Cc2ccccc2)c1	390579909	IAHCOORXTSHFON-OAQYLSRUSA-N	404.554	5.144	10	10	HKCE	
CN(Cc1ccc(NCc2c(O)cccc2Br)cc1)C(=O)OC(C)(C)C	706807835	IDFMGOPXLPJBIC-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CN(Cc1ccccc1)C1(CNCc2ccc(Br)cc2O)CCCCC1	714229971	FCSKIARTCSIMOT-UHFFFAOYSA-N	417.391	5.079	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OCC	1865665367	PLUBVRFHZIIVPA-KGENOOAVSA-N	410.489	5.205	10	10	HKCE	
COC(=O)c1c(NC(=O)C(C)(C)c2ccccc2F)sc(C)c1-c1ccccc1	1866206574	MNCDZRZXFSOSSK-UHFFFAOYSA-N	411.498	5.566	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)cccc21	1868180292	XKZSZLHABLUYIB-NRFANRHFSA-N	415.876	5.248	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Oc2ccc(F)cc2)cc1	1891724271	KYPYGXOKZMBBOO-CVDCTZTESA-N	416.496	5.537	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCC(C)(C)O)Cc2ccccc2)cc1Br	1915776132	FRDDSAKVIOWSCY-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
CCN[C@@H](c1ccccc1O)c1ccc(Br)cc1NC(=O)OC(C)(C)C	2090038775	AHQJOTJAPZGSJQ-GOSISDBHSA-N	421.335	5.201	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1	2296680782	YZKPHTWEBAAOJD-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1C	2321596284	SJEJJCPGAILLHA-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CC=CC(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC	2323815926	CGTQNAYTJBNTKO-UHFFFAOYSA-N	408.317	5.041	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1O	2332098057	TWIXBPJJIXUTFN-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	13638071	OHXZXDNQUDFJJF-FBLLAGFSSA-N	410.517	5.885	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466642	WGIHOENDSAMYPB-HKZYLEAXSA-N	401.337	6.559	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550648	DJNDYFWDSPWWDC-ZEVJAHDQSA-N	410.517	5.798	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14552308	LQXNSKYZNIYUML-FVLCUVFVSA-N	420.578	5.144	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc1)CCCCC2	20532509	MLFLYQXUNMZPAE-UHFFFAOYSA-N	413.565	5.017	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccnc2)[C@@H]2CC=C[C@@H]32)cc1	20751020	HGNNSUOJJXSWSL-PQNGQFLHSA-N	411.505	5.559	10	10	HKCE	
CC(C)Cn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21	33333458	AOYGGTQPIDNWRL-ODLFYWEKSA-N	421.497	5.108	10	10	HKCE	
CC(C)(C)c1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(C(C)(C)C)c1O	58833860	VHBPRLRSMDDVAA-UHFFFAOYSA-N	402.531	5.233	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O	59396858	MSOVESRAFXSSLC-CHHVJCJISA-N	412.319	5.113	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226859420	HDIIWKDTQPEOSH-UMFSSWHCSA-N	408.545	5.794	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)c1	526494835	FLQYPKHKEZPWEH-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CCN1N=C(C(F)(F)F)/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O	1865676569	KFLCEOJHRKPVRE-PTNGSMBKSA-N	408.807	5.083	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)cc1Br	1915364031	CMGBAWVMWSOVRG-HZPDHXFCSA-N	415.400	6.298	10	10	HKCE	
C[C@@H](N)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	2077053165	ZTWRHOFKTYZCNE-IERDGZPVSA-N	403.364	5.045	10	10	HKCE	
CC[C@H](NCCc1ccsc1Br)c1cc(Br)ccc1O	2186699771	LMPRJQWZBZGENI-ZDUSSCGKSA-N	419.182	5.262	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N([C@H](C)c3ccccc3)C1=O)=C2	2314450777	RPWSZHUHRSTSGH-CABCVRRESA-N	423.559	5.365	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116374	HAUUZFNMXWKCKU-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
O=S(=O)(c1ccc(/N=N/c2cc(Cl)ccc2O)cc1)N1CCc2ccccc21	6598455	GRJPUJBKZGDNDX-GHVJWSGMSA-N	413.886	5.212	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@@H]21	14546193	DGMPOGGTCCZMJQ-AXHZCLLHSA-N	402.538	5.394	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	14549041	JXXWIOYNNSLFEY-WOVHNISZSA-N	416.351	8.126	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14550602	YZOBISMXQHPJEX-FBLLAGFSSA-N	402.538	5.538	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@H](c3ccc4ccccc4c3)[C@@H]2C1	20708374	UEVWVYYFPPGCMU-IWVFXYMLSA-N	403.525	7.245	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764668	ONSARHIYDRMGNN-RDGATRHJSA-N	404.485	5.461	10	10	HKCE	
O=C(Nc1ccc(F)cc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	20902487	GPHRERIUQJFKSI-UHFFFAOYSA-N	424.519	6.805	10	10	HKCE	
Nc1c(C(=O)Oc2ccccc2)sc2nc(-c3cccs3)c3c(c12)CCCC3	40568273	FTVJMBVFVSHKKS-UHFFFAOYSA-N	406.532	5.705	10	10	HKCE	
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1	40585769	COYHTKWJVOHATG-RSKBYLLGSA-N	419.445	5.135	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226713368	GRLPFYJDHIHMFO-DPLHUUCSSA-N	402.538	5.109	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226905481	AXJRHCUUMGSYQE-NMIRZEMHSA-N	419.566	7.780	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(N(C)C)cc2)c1	526255163	MPUKDLSMSGDOFV-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
O=C1C(O)=C(c2cccc3ccccc23)[C@@H](c2ccc(O)c(O)c2)N1c1ccccc1	526300183	QAPQJQNRNOBSNK-XMMPIXPASA-N	409.441	5.308	10	10	HKCE	
COc1ccc(CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1	1858587446	CADBRTVXOZZJKB-LZYBPNLTSA-N	410.347	5.403	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccnc(Cl)c2)sc(C)c1-c1ccc(C)c(C)c1	1866000171	OWLDCNOHBNWHDQ-UHFFFAOYSA-N	414.914	5.428	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915451455	UVHULLMOPVFSJT-YJBOKZPZSA-N	404.348	5.077	10	10	HKCE	
CN[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977944619	IILIJGLWIIMKHR-QHCPKHFHSA-N	411.590	5.231	10	10	HKCE	
Cc1ccc([C@@H](C)n2ncc(C3CCCCC3)c2I)c(O)c1	2070321804	PJYFSHQJTFIJMX-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1Cc1ccco1	2296677263	CGLVVFUBGZFKOH-UHFFFAOYSA-N	407.516	5.260	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1	2321710503	IIQFVUGZDDRTQZ-UHFFFAOYSA-N	412.580	5.337	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cn(C)c4ccccc34)C2=O)c1	2332128827	HVUXWTUEWWUIBN-UHFFFAOYSA-N	419.528	5.625	10	10	HKCE	
Cc1ccc(CNc2cccc(Cl)c2Br)c(O)c1Br	2352680094	OKPRMLJXJXJAAN-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Cc1ccc(CNc2cc(Cl)cc(Br)c2F)c(O)c1Br	2381131549	PCEYTZNOBVRAEW-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460729	XYIFMKIQLRZNLB-HFMPRLQTSA-N	400.909	6.419	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468007	VIBGYTFVPQKPQV-LAPQFRIASA-N	403.309	5.874	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21	14469075	LHKCHWUSMJBSJF-GLDPYIMESA-N	407.510	5.626	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14546099	WDOARMDOWCSJHL-XLNZFTOWSA-N	402.538	5.584	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1	15045972	GYEYMIAYXOLLBB-CNXNNMFHSA-N	422.575	5.170	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3Cl)c3ccncc3)c(O)c2n1	54621904	OSAUYOQRYCSZTR-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226710359	ONCMGFAFLZOGCI-OTNCWRBYSA-N	404.554	5.403	10	10	HKCE	
Nc1ccc(N(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1	244252311	WHUGCHHPBMDISG-UHFFFAOYSA-N	421.875	6.476	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250504876	JYWMOCDGJLOWRZ-IPVFLDMMSA-N	408.457	6.433	10	10	HKCE	
CCC(=O)Nc1cc2c(cc1N=Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2CC	254485113	FRLJSCUIZQVGFD-HNNXBMFYSA-N	423.517	6.471	10	10	HKCE	
CCCSc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1859707283	OJPDJBFUTICMDK-UHFFFAOYSA-N	401.487	5.216	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	1860085183	UGBGGFJXMRHAGV-FRKPEAEDSA-N	415.883	5.135	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC	1860085976	APFQXUVIQMPNIC-KGENOOAVSA-N	421.543	5.653	10	10	HKCE	
FC(F)(F)c1ccc(/N=N/N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1	1860484447	NCSSAJPNNBOBHK-QHOYUHCYSA-N	408.855	5.689	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1ccccc1Cl	1865664157	CPTWVQHHJILBPE-PDGQHHTCSA-N	414.814	5.837	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2ccco2)cc1	1865671556	IKZCQPDDNJLSJO-SFQUDFHCSA-N	413.260	5.430	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc(C(F)(F)F)cc3)c2)c1	1872843269	YDEULELYIDWYJQ-UHFFFAOYSA-N	414.427	5.603	10	10	HKCE	
CCCN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999537137	UDWWVTXHPUAFJK-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2294492878	NDAYTWYSEQCVDV-UHFFFAOYSA-N	408.470	5.177	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323680923	WUQBENFRABTNAE-OXJKWZBOSA-N	412.407	6.019	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129699	DEUYVVWYOKFBBH-UHFFFAOYSA-N	421.697	5.828	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1c1ccccc1	2332132950	LETCTORKXYMQPJ-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1C	3092177	UJSLZOXWIPDPEP-IUXPMGMMSA-N	423.390	5.881	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466698	GCEGGVGBEWRVRS-XLNZFTOWSA-N	408.973	6.429	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467119	GXTHJNOZVZHDKJ-WVQJBOLRSA-N	407.253	5.442	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479684	HZNVBPNZSZPYHK-IMWIBFENSA-N	406.526	5.012	10	10	HKCE	
O=C1/C(=C/C(Br)=C\c2ccccc2)SC(=S)N1C1CCCCC1	33424206	GLEWVMIFFMPJOX-YUTYINLDSA-N	408.386	5.499	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccc(F)cc1	59378460	ZBDUPJSCCGZZAZ-VIZOYTHASA-N	413.326	5.403	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226741737	GCEGGVGBEWRVRS-IMWIBFENSA-N	408.973	6.429	10	10	HKCE	
CCN(CC)CCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858595784	IEACLIGPGQUQDK-NTCAYCPXSA-N	417.427	5.317	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ncoc3c2)sc(C)c1-c1ccc(C)cc1	1865786129	JSPYSCWJDKSXKE-UHFFFAOYSA-N	406.463	5.212	10	10	HKCE	
CCCNCc1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100210357	LEVXLUNSKWHIML-FGZHOGPDSA-N	417.391	5.133	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231464827	FUNOTGGIPFIVLN-QGZVFWFLSA-N	413.403	5.896	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)C1=Cc1ccc(-c2ccccc2Br)o1	2293829968	ZAVSURCFVVPGAN-UHFFFAOYSA-N	421.294	5.824	10	10	HKCE	
CN1C(=O)C(=Cc2cc(N=Nc3cccc(C(F)(F)F)c3)ccc2O)SC1=S	2297320874	RGXQUSFSUBFUMO-UHFFFAOYSA-N	423.441	5.657	10	10	HKCE	
Cc1cccc(C)c1OCCn1cc(C=C2SC(=S)N(C)C2=O)c2ccccc21	2297335404	NMIWQBLGZPOHOG-UHFFFAOYSA-N	422.575	5.168	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1	2313610005	REYRAEIGUAQLGS-UHFFFAOYSA-N	402.972	5.592	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(C(C)(C)C)cc4)C3=O)c2c1	2321647836	ITWQTGHTNFOZRI-UHFFFAOYSA-N	422.575	5.880	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1Cc1ccc(Cl)cc1	2323840490	JYOKQZMRXCCFHY-UHFFFAOYSA-N	424.772	5.504	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(Cl)cc3)C2=O)c1	2332099487	ZCROEUQSSLITQN-UHFFFAOYSA-N	400.909	5.787	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21	13637470	HCRZMJVSKRJNSX-SGIRGMQISA-N	410.517	5.491	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639411	RPJCXAQVLGWRIQ-SPEDKVCISA-N	411.343	6.014	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464640	GWMZFKSVALVGKP-KJOQGJGQSA-N	412.533	5.433	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466130	PZRFJMMPBRSFDA-YZZKKUAISA-N	406.957	6.229	10	10	HKCE	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)cc1	102863101	WMAXHDXKYUWHDG-LDADJPATSA-N	423.588	5.140	10	10	HKCE	
Nc1ccc(N(C(=O)CSc2ccc(Br)cc2)c2ccccc2)cc1	170260104	RMLCJOILBDKFKR-UHFFFAOYSA-N	413.340	5.488	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2csc(Br)c2)cc1Br	234441561	BVDQYQQSQDCVBV-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1cccc([N+](=O)[O-])c1	253578528	YMAYHUSSGGPPNN-ONCXSQPRSA-N	413.477	5.000	10	10	HKCE	
Brc1cc(CNC2CC2)ccc1N(Cc1ccccc1)C1CCCCC1	2095888541	IMAWYGIVWOLYCY-UHFFFAOYSA-N	413.403	6.040	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1Br	2231455537	YKPSHDLIFSUUPA-ROUUACIJSA-N	419.407	5.115	10	10	HKCE	
Cc1cccc(COc2ccccc2C=C2SC(=S)N(c3ccccc3)C2=O)c1	2293394461	ATGZKCMUNKDZFR-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CCCN1C(=O)C(=Cc2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	2294746207	BHTWGKFJCMIABY-UHFFFAOYSA-N	421.946	5.669	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2297450917	QDLXTRWWJPPIEU-UHFFFAOYSA-N	409.363	5.573	10	10	HKCE	
COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)o2)c1	2297511998	OPGSUMAUQBJQEG-UHFFFAOYSA-N	420.852	5.193	10	10	HKCE	
O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C(=O)[C@@H]21	2297710357	DCRGAADTEDREEN-KELGSRBJSA-N	421.456	5.061	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	2314927026	XPWVLGGHEYAUFT-UHFFFAOYSA-N	421.584	5.102	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2321631330	YJKQQBCUPNXLOX-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321665978	WRHUETFMGFZPEM-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
COC(=O)c1c(NC(=O)C=CC2CC2)sc(C)c1-c1ccc(Br)cc1	2330946123	KWWYNCCKEPVZOG-UHFFFAOYSA-N	420.328	5.177	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)C)cc1	2332103979	GSJXNVXZDQZVIU-UHFFFAOYSA-N	401.337	6.309	10	10	HKCE	
Cc1ccc(CN[C@@H]2CC[C@@H](C)C[C@H]2OCc2ccccc2)c(O)c1Br	2352683387	HHMCPFDBWOSVLF-CDHQVMDDSA-N	418.375	5.327	10	10	HKCE	
CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)NCc3ccccc3)c2C)cc1	4417687	CNLDXVWFJBIDHV-UHFFFAOYSA-N	410.517	5.781	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1	4818960	RFEXQEHPRFZKIS-HFMPRLQTSA-N	417.509	5.438	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)c1	6188484	VWNXBBLAEWJLOM-KGENOOAVSA-N	404.560	5.808	10	10	HKCE	
CC[C@@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Cl)cc2Cl)C1=O	11636716	GMZVGIXQRYQJKX-AWEZNQCLSA-N	419.399	5.131	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(NC(C)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642062	DJUOXAYKSIWRDK-IKSSWHGMSA-N	421.544	6.599	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1O)N2	14460058	GGRSHPYFDGKGEG-YDIMBITNSA-N	420.553	5.490	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(F)cc2)[C@@H]2CC=C[C@H]32)cc1C	14549816	KCRPJMWSQBBBTP-FBLLAGFSSA-N	412.508	6.521	10	10	HKCE	
COc1ccc([C@H](C)Nc2c(Br)cc(C)cc2Br)c(O)c1	20486943	FDHOKDIUTOEBBD-JTQLQIEISA-N	415.125	5.407	10	10	HKCE	
CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	33458564	MEGFKNNNGYOOGK-CXUHLZMHSA-N	423.437	5.037	10	10	HKCE	
Cn1c(=O)c2c(-c3ccccc3[N+](=O)[O-])c(Nc3ccccc3)oc2c2ccccc21	39920902	VLYIMESQKDHOAH-UHFFFAOYSA-N	411.417	5.604	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1	59396913	ZWBVWNMLVRJCDQ-AQTBWJFISA-N	414.508	5.180	10	10	HKCE	
CC[C@H](Nc1ccc(Br)c(OC)c1)c1cc(Br)ccc1O	168898558	NHAHWILDRDDRJQ-AWEZNQCLSA-N	415.125	5.489	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226785997	XFOCHMHJBQZNNS-NTOOTBGVSA-N	419.528	6.555	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C	1084505251	JKLDNSVGHXMYNQ-WOJGMQOQSA-N	419.955	5.542	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1Br	1860086177	OOYIPQAVRWWMPC-CXUHLZMHSA-N	404.354	5.472	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)c1	1860086785	HIMMEFXPDKBGQP-CPNJWEJPSA-N	411.548	5.222	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667057	BZPNGTIARYKZEI-RCCKNPSSSA-N	404.897	6.088	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)c1	1865668589	GQAQLKQKNQCQAY-LDADJPATSA-N	417.336	5.974	10	10	HKCE	
Cc1cc(OC(C)C)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(C)s1	1891878577	PPCPGIBAIMEFKC-UHFFFAOYSA-N	402.541	5.015	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)cc1Br	1915216759	KAVTWEZIDCMGTC-JOCHJYFZSA-N	419.407	5.116	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1	2297362067	ABDCJYBYZYQSBT-UHFFFAOYSA-N	411.288	6.368	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2313499113	NCKLVTVCOWRFFD-UHFFFAOYSA-N	416.304	5.175	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc(C(C)C)cc2)C1=O	2321638328	URKYJLGTUKDXPR-UHFFFAOYSA-N	413.593	5.542	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OCC	2323767132	XAGOEUOVWZZDJE-OAHLLOKOSA-N	413.564	5.446	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1Cl	2332099928	SJSSARUTUXRJLY-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	2332114696	HBXWCVTVINMBKD-UHFFFAOYSA-N	424.544	6.004	10	10	HKCE	
c1ccc(CN(Cc2ccccc2)N=NN(Cc2ccccc2)Cc2ccccc2)cc1	4900449	NQOAYYLTRTXFRH-UHFFFAOYSA-N	420.560	6.673	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc4ccccc24)[C@H]2CC=C[C@H]32)CC1	14464208	KJPIMBPWUYNIMQ-DPPGTGKWSA-N	422.572	6.538	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	14477989	AFYWQWGRZIXZKP-YZZKKUAISA-N	411.461	5.674	10	10	HKCE	
O=C(O)c1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	16905802	RNHITTSVBWBFRN-VGOFMYFVSA-N	410.303	5.097	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc(Cl)c2)[C@@H]2CC=C[C@@H]32)CC1	20695212	JWAJSKNXCFUJGA-TXTKFYIRSA-N	406.957	6.039	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	83262940	DXRWZBRPPBKZFZ-PYCFMQQDSA-N	409.529	6.464	10	10	HKCE	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1c[nH]c2ccccc12	208359459	MGXCXZMDQYESFC-PXLXIMEGSA-N	401.535	5.093	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc(Cl)c4[C@@H]4C=CC[C@@H]43)ccc21	226673807	ZOAFEALLCNOUAF-JVAFGIKQSA-N	412.964	7.603	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226713850	PCWHGFLIHQIKLL-PQNGQFLHSA-N	410.583	5.323	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1O	226724522	BTTJUSQJPKLQPJ-YDIMBITNSA-N	412.489	5.480	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)cc1OC	226883171	ATJMDHQZXPSCTB-YDLHNXBPSA-N	407.510	5.088	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2cn(C)c3ccc(OC)cc23)SC1=S	1858590974	RMFIKHYYTIDYPJ-DDLUMYACSA-N	416.612	5.747	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	1860083880	BBTHTLVQRHZXHG-RQZCQDPDSA-N	418.927	5.777	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OCC	1865665139	CURYLUPXGHMAKB-LTGZKZEYSA-N	422.525	5.469	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865668901	WGTXWLWJOKYXKZ-QJOMJCCJSA-N	416.908	5.963	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1	1865674959	HLVNSKYYQPBMPF-HZHRSRAPSA-N	416.908	5.746	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc5nc[nH]c5c4)ccc3[nH]2)cc1	1872737000	UOYYEBQDTBAGLU-UHFFFAOYSA-N	424.508	5.205	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3cccc(C(F)(F)F)c3)c2)c1	1872841787	YIJUEIVRMNJOJV-UHFFFAOYSA-N	414.427	5.603	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2034756216	PQBLLWFRAHTRFT-UHFFFAOYSA-N	401.392	5.898	10	10	HKCE	
Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2Br)c(O)c1	2079006565	DNXSQOAHGXWTLP-IBGZPJMESA-N	403.320	5.129	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F	2079042407	JWVIPBGBJXZSFW-UHFFFAOYSA-N	418.362	5.038	10	10	HKCE	
CC[C@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O	2090028557	MATMSJNDQKATFL-YWZLYKJASA-N	414.347	5.201	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCCC2	2909441	JHNVNMLMZLBRBI-UHFFFAOYSA-N	410.514	5.639	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456904	QCBFEJJPBXXSJE-WOVHNISZSA-N	414.574	6.454	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457460	NJINPETZHITLOY-GTQRCTGISA-N	412.917	5.619	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CC=C[C@H]32)CC1	14471987	ACPFPOIDHFJMQG-MIZPHKNDSA-N	417.509	5.293	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1C)[C@H]1CC=C[C@H]21)c1ccccc1	14479011	XTWPCEXGCXDFJV-FXSPECFOSA-N	408.545	6.488	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14545133	PWHCFVPOEBEQNR-NYUJMHJJSA-N	413.565	6.257	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	19889918	FBWYBAIXUOXLDW-YTZAWJCFSA-N	422.355	7.399	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	20713004	AFYWQWGRZIXZKP-STSQHVNTSA-N	411.461	5.674	10	10	HKCE	
Cc1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621421	VNMCOPJVGWQVME-OAQYLSRUSA-N	400.438	5.062	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(OC(C)C)cc3)c3ccc(F)cc3)c(O)c2n1	54621515	DXWRHLYFIOPQJV-DEOSSOPVSA-N	416.496	6.377	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccc2cccnc12	54621891	AGNNODASNWFNRA-FQEVSTJZSA-N	413.279	6.588	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	250879641	UCOHZWOHHWWSEC-PRAZENRCSA-N	414.574	6.374	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC(OCc3ccccc3)CC2)c(Br)c1	384141200	ZCJLCQNAZPLQGL-KRWDZBQOSA-N	417.391	5.305	10	10	HKCE	
CCCOc1c(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cccc1OC	1865668735	MWVFCAACHAXFCV-LGMDPLHJSA-N	418.415	5.141	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc2noc(-c3ccccc3)c2c1	1891897432	ZHPHFJCMOWHURH-CVDCTZTESA-N	423.516	5.414	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S	2297560029	DAZSZRBFIVCNAX-UHFFFAOYSA-N	411.551	6.707	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2313502146	VKGDIICKXUANNY-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C	2313681483	GGAFTLDYTKJNRU-UHFFFAOYSA-N	424.957	6.147	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OCC	2332106546	FKHIHULWWOYAPS-UHFFFAOYSA-N	420.553	6.159	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OC)c(OC)c1	2332140092	ASURYMBSHAHDHN-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
CC[C@@H](Nc1cc(O)ccc1Br)c1cc(Br)ccc1O	2370416027	DZRPCDVYFZWQOM-CYBMUJFWSA-N	401.098	5.186	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1	3165861	GESKKNIUPPEKKL-KQWNVCNZSA-N	400.453	5.197	10	10	HKCE	
O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	10909339	OGXBFMINHAKWQB-RUZDIDTESA-N	401.531	5.835	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	13637501	PWCLRDPFTLQHLL-AWRGLXIESA-N	402.538	5.623	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13644807	STTQQGNHVOPDNP-PNIUZAESSA-N	416.609	6.928	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1Cl	14476885	DDXYSCCSUVVTDE-LLJLJFOGSA-N	407.344	7.564	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c(C)cc(C)cc2C)N3)c1	14553544	HOPAZTXKFYSWTA-IBGGVINMSA-N	422.572	6.999	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697991	GYOJUPZGYMHABF-OASJLCFRSA-N	422.572	6.567	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710915	HEBSKTPVURPFOF-FHAGJXEFSA-N	410.517	5.452	10	10	HKCE	
COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1	20943389	CGDOJECGAUYZHL-UHFFFAOYSA-N	417.431	5.443	10	10	HKCE	
O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	33420052	NKMNEOYORXTMEY-WOJGMQOQSA-N	410.838	5.569	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	33864549	WSEJSTGPFRWION-WYWMRODJSA-N	418.522	5.246	10	10	HKCE	
O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	40143210	DSMLWFBKIGQBJP-FQEVSTJZSA-N	421.294	5.146	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=S)N1CCc1ccccc1	97411152	BMCMTSNWXLJZMZ-ZHZULCJRSA-N	409.507	5.530	10	10	HKCE	
O=C(Nc1ccccc1)c1cc2ccccc2c(N=Nc2ccccc2Cl)c1O	606517126	XNANGTRPTFPPPE-UHFFFAOYSA-N	401.853	6.867	10	10	HKCE	
C[C@H](NCc1ccc(Br)cc1O)c1ccc(NC(=O)OC(C)(C)C)cc1	691394105	ZYDRNIQAAFFDMX-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(N2CCCCC2)cc1	1860085781	ZURXZJGVEGKGRB-CPNJWEJPSA-N	416.518	5.361	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)ccc1Br	1860087246	KAZGCXZLSKLWBA-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	1865668736	NAPSVWZNIZBCHV-FXBPSFAMSA-N	416.908	5.963	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O	1865672302	VNPAFWLVSVGUDN-JLHYYAGUSA-N	405.679	5.004	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c(OC)c1	1865678985	ODVRMOBMJIUUEA-RGEXLXHISA-N	418.880	5.192	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679220	BNEHMFSQKRDATE-NLRVBDNBSA-N	424.544	6.156	10	10	HKCE	
CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1OCC	1866003347	RQHDWLXQIWZOGO-UHFFFAOYSA-N	420.509	5.891	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2ccc(Br)cc2O)c1	1925135799	KQWAEKVQUUEDLC-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H](CCCC(=O)O)c1c(O)c(Cl)cc(Cl)c1Cl	1951594472	GDKUZLWDVFZRSY-SNVBAGLBSA-N	412.697	5.173	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2080030310	LBSOITXYERHHPT-SFHVURJKSA-N	420.937	5.114	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2332104229	NNQKNEVORNDFKZ-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
O=C1C(=Cc2ccccc2O)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332140604	VDUIASDUFPJHTC-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2cccc3ccccc23)o1	5025768	CEPJKFDAQFVSJZ-HMMYKYKNSA-N	412.470	5.045	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	13641353	KCTICKCUDMQUAY-IECBHUPTSA-N	409.526	5.574	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(N(C)C)cc2)[C@H]2CC=C[C@H]32)CC1	13644371	ABMUIXYJEWYBFJ-WRALFONMSA-N	415.581	5.451	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468045	PBCYKHXHPLJMEJ-STXHMFSFSA-N	417.336	5.665	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21	20708498	WWYBUOMMUQEKFU-OTNCWRBYSA-N	412.533	5.433	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@@H]2C=CC[C@H]21	20795672	AFHGKOQTMJEKQH-VHFRWLAGSA-N	424.544	6.473	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S	27229980	RZVJUMCICSNVAQ-CSUMZAAXSA-N	421.584	5.633	10	10	HKCE	
CC(C)CCNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	40645949	BQCWTOWOXOCNFZ-CYYJNZCTSA-N	405.462	6.002	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cccc([N+](=O)[O-])c3)c3ccc(F)cc3)c(O)c2n1	54618934	AXXWDXMTYADAMJ-OAQYLSRUSA-N	403.413	5.498	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2c(C)cc(C)cc2C)N3)c1	226803300	HOPAZTXKFYSWTA-NYULUDCUSA-N	422.572	6.999	10	10	HKCE	
CC[C@@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)c1cc(Br)ccc1O	717996847	HQPYGADTUNKVFP-NHCUHLMSSA-N	417.391	5.106	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1860084412	WPTMELDQWKNDHN-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
CCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670354	VZEKXGLQUQZYTL-LFVJCYFKSA-N	414.480	5.597	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)cc1	1865679796	HDVZVKRPKURTMD-LDADJPATSA-N	401.279	5.170	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1	1892124180	PREVNYWQKQMXDP-UHFFFAOYSA-N	422.531	5.712	10	10	HKCE	
Oc1c(Br)cccc1Cn1nc(C2CCCCC2)cc1Br	2070051297	DSXVPVGUZLOXKP-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
CC(C)c1c(C2CCC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079720713	TZRNMKQQUMZSPH-UHFFFAOYSA-N	417.269	5.809	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321569932	BPSSSTNHBCKJCS-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1F	2321606831	JSSVVXGFSAYGIV-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	2321708973	DWRPVXXUNFAQBJ-UHFFFAOYSA-N	418.543	5.087	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147514	INDNZDSWDBZSMW-UHFFFAOYSA-N	424.125	5.952	10	10	HKCE	
Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1cccc(Br)c1	9777395	IOJCTGUDFQVUEZ-OAQYLSRUSA-N	406.283	5.299	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)NC)cccc4[C@H]4C=CC[C@H]43)ccc21	13642985	SVKQCPZMMDASIN-QRRVGDGBSA-N	421.544	6.001	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459421	ATUWBUVGFPJWHW-DFIYOIEZSA-N	418.537	5.244	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460861	KUKFQILELUVBII-WTOJCKNJSA-N	401.260	5.198	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14463792	VLRSSTLOKYWSPF-LLGBQNBKSA-N	416.524	6.919	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469982	DZMZLYGUBYBUBG-VVZHRXSXSA-N	401.937	7.054	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478345	CYPYGJSDUIIDKA-HKZYLEAXSA-N	411.889	5.813	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20698273	ROJNRYBHCISAJD-GEBXHLAXSA-N	415.621	7.986	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753731	YMOGFWXGYLJFEG-KIBIPHAFSA-N	419.568	7.854	10	10	HKCE	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1	20763828	KRHHVDRHIPGCBO-UZLBHIALSA-N	413.340	5.439	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OC(C)C	27499774	USHROIDIQHJJSJ-SXGWCWSVSA-N	419.308	5.595	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1	39372929	NHPIGCWGPQRFJS-LCLWPZTBSA-N	413.477	5.000	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226695195	RREJBUYWDSIKMV-CERRFVOPSA-N	424.544	6.075	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2	226795940	GHYVEBGSMRUQHU-IMWIBFENSA-N	406.526	5.187	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226865852	RUOLFMJFAOIJEO-UMFSSWHCSA-N	410.517	6.164	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1	1860087725	QCZYIMIPGSVKMW-RCCKNPSSSA-N	424.591	5.052	10	10	HKCE	
COc1ccc(Cl)cc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860486029	KNUREEVTQFRHJX-CYYJNZCTSA-N	420.944	5.755	10	10	HKCE	
CCCCCCOc1ccc(NC(=O)CNCc2ccc(N(CC)CC)cc2)cc1	1860717095	TTWSTWWSVPANCN-UHFFFAOYSA-N	411.590	5.220	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	1865656892	WYBDHZQMTGIBKX-WQLSENKSSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668165	JIWSRVZPZZBHSF-NLRVBDNBSA-N	424.544	6.156	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	1865668243	NOGQVANQXIDWSO-XDHOZWIPSA-N	417.336	5.974	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3cn(C)c4ccccc34)C2=O)c1	1865670526	DQLPRLDVRZICRR-ODLFYWEKSA-N	411.427	5.139	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672288	UORGUJAUQAVOCB-DEDYPNTBSA-N	410.489	5.203	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1	2296683422	WFNDSMKQYGJFEI-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CCN1C(=O)C(=CC=C2Sc3ccc4sccc4c3N2CC)SC1=S	2297311042	VKUBCFFOJQSRND-UHFFFAOYSA-N	404.607	5.439	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S	2297357200	TXOGHTJDKOGMFX-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104651	CYDCESIYQFCSEI-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OC	2332124528	KYIDWWVXGIMMCT-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476514	KHBJOGOGWCPFRV-RLSLOFABSA-N	411.501	5.879	10	10	HKCE	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc(-c2cc3ccccc3oc2=O)c1	30828873	HVSDHLHFZVFFIZ-UHFFFAOYSA-N	410.473	5.313	10	10	HKCE	
Cc1cc2nc(N3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)sc2cc1C	34387547	OFSVKJADLLVHEZ-RCCKNPSSSA-N	409.514	5.748	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3OC)N2)c1O	53362880	GXOXNABQROZQHD-GJZUVCINSA-N	416.521	5.330	10	10	HKCE	
Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1	53363388	MPFWYIHVDCGBSF-JTHBVZDNSA-N	421.338	5.686	10	10	HKCE	
CCN(CC)c1ccc(/C=C\c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1	101339521	JOJYMNNDMTWEFJ-NXVVXOECSA-N	422.617	8.380	10	10	HKCE	
Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)/C=C\c3cccc(Cl)c3)cc12	104366133	SZQAJIFPRANXMX-TWGQIWQCSA-N	419.956	6.085	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@@H]4C=CC[C@@H]43)ccc21	226634990	CFNNYDINKZDUJP-JFLXGGRUSA-N	423.516	6.858	10	10	HKCE	
CC(C)Oc1ccccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860485531	NHUAXSROTSUCTD-BYYHNAKLSA-N	414.553	5.880	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc3ncoc3c2)sc(C)c1-c1ccccc1	1865786491	RRNHZOUNAXIMBK-UHFFFAOYSA-N	406.463	5.294	10	10	HKCE	
CC[C@@H](N[C@H](C)c1cscc1Br)c1cc(Br)ccc1O	2186652226	NUXQJULGBBQIIJ-YMTOWFKASA-N	419.182	5.781	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321748928	DWUCHWWHOUDYNV-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(C3CCCCCC3)C2=O)cc1OCC	2323740101	TXJQVSGGJUPDHL-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	2323889027	XSLQPBXPDRNMHL-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2CCC)cc1	2332114798	RBFTWIYICGXJLN-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)C(C(F)(F)F)=NN1c1ccccc1	2332141351	RKYTYINORAMZFG-UHFFFAOYSA-N	422.406	5.614	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Br)cc1	2332147584	MAPNKKGDHFOXQP-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2	12630184	DNPKSKJFPIKADE-DEYYWGMASA-N	418.718	5.716	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635502	SUOGDQFSTRBFLS-PPJWLVRDSA-N	424.544	5.494	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456292	STGRKSMFLLSDBK-YYDVJCTNSA-N	422.575	5.684	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460843	WZEGWDMTXKMIGU-XEKQOVJPSA-N	401.260	5.198	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14460852	VBSFLPKOHRDGLB-QEEYODRMSA-N	414.299	5.158	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21	14548678	LDEYEZRUJFHKEB-LJFZDNNRSA-N	400.547	5.547	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549227	SMVBVCZQWZJDHO-RLSLOFABSA-N	416.351	8.126	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1O	20693908	SGWWROFWMMKOMR-PMAPCBKXSA-N	412.489	5.480	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=S)N1Cc1ccccc1	34106334	FGKOIQUIMWJLFP-UNOMPAQXSA-N	422.487	5.892	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364022	PPMFAYLSHFELLR-ZEQKJWHPSA-N	418.512	5.715	10	10	HKCE	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1	109966831	KCOUSRUCKKPPIW-GXDHUFHOSA-N	419.500	5.141	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226685175	LZTAVKUEEFISSX-CXVLVDDRSA-N	423.600	7.450	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1	1084427072	KCKMSYYRUFMPLK-YBEGLDIGSA-N	420.353	5.123	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679371	KAWOBDSPSDCIPH-KOEQRZSOSA-N	410.517	5.766	10	10	HKCE	
Cc1[nH]c2ccccc2c1C=C1C(=N)N2N=C(CCC3CCCCC3)SC2=NC1=O	2297467992	ZEMARWSRINPWDB-UHFFFAOYSA-N	419.554	5.456	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1	2297468985	YQPDBSNXJCZZGA-UHFFFAOYSA-N	419.554	5.212	10	10	HKCE	
O=C1C(=CC=Cc2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12	2297506216	FGBNBRHEEHLBIU-UHFFFAOYSA-N	408.460	5.303	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	2313538402	DUSUHJSRWGSFGD-UHFFFAOYSA-N	407.813	5.314	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc(Cl)c2)sc(C)c1-c1ccccc1	2314770673	PYBQRDBIRYSZNX-UHFFFAOYSA-N	411.910	5.815	10	10	HKCE	
COc1ccc(OC)c(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	2332114793	QUYXWDYINWOMPR-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
O=C(NCc1cccs1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782040	IRBUWWXCXALBNB-UHFFFAOYSA-N	412.558	6.015	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463560	RQLFDVQFDLWXAI-OARDWFSCSA-N	422.572	6.913	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1OC	14479525	IEQJBWMWDHHWRJ-XXAUWVGASA-N	413.517	6.109	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14547013	NGKJMTLLGWFGTD-FLXXMVMKSA-N	416.348	6.378	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750218	GQXHKCVZHFRPJV-KUUHDYPXSA-N	401.337	5.958	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C(\C)c3ccc(Cl)cc3)SC2=S)cc1	39859253	IVXOHUIDDUDTQQ-BOPFTXTBSA-N	402.928	5.094	10	10	HKCE	
COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)c1	53363305	FLBNVKNJODTHLM-ISKFKSNPSA-N	406.913	5.585	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Cl)cc2Cl)c2cccs2)ccc2cccnc12	54621885	CNWOCWODADFTAX-IBGZPJMESA-N	401.318	6.510	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)cc4)c2c1N)CCCC3	96586968	RIYYKTDOCHKGQL-UHFFFAOYSA-N	420.456	5.620	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226710466	CBRTXQZWYYPPBN-SLSDLSHTSA-N	417.936	6.624	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1	1860085603	DFGRDKPYMNJVEW-QGOAFFKASA-N	415.511	5.188	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OCC	1860087247	KEUSZUKOMIWRBL-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
Cc1ccc(NCc2c(O)cccc2Br)cc1CNC(=O)OC(C)(C)C	2231328762	GGXNMBKDSNEVML-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1	2314533966	VQKOXFBDYKEFFT-UHFFFAOYSA-N	424.547	5.899	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321698472	LRDQZLZGZMNTSU-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3CC)[C@@H](C)CC)ccc21	3585631	SKEVSQHWDOCOTB-FQEVSTJZSA-N	423.670	6.409	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	13636441	QIOYETROIBUCOB-PLXFJCCSSA-N	410.517	5.798	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc5ccccc45)[C@H]4C=CC[C@@H]43)ccc21	13642074	KMZYHZDVUIYMQE-SSLSWHBASA-N	414.552	7.794	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460359	CFULCRHVMYOVCX-MIZPHKNDSA-N	406.957	6.229	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21	14545763	LXZOGCBXZHXHNK-ISJBWFOZSA-N	416.565	5.784	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21	20679899	HCRZMJVSKRJNSX-OTNCWRBYSA-N	410.517	5.491	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20755801	LNHXKCNORSFMQR-OASJLCFRSA-N	403.566	6.871	10	10	HKCE	
COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12	27499742	AOQZHRNWWYACLB-ODLFYWEKSA-N	411.935	5.908	10	10	HKCE	
Cc1ccc(C)c(OCCn2cc(/C=C3/SC(=S)N(C)C3=O)c3ccccc32)c1	33417762	PSHDSLKRESPOCJ-FYJGNVAPSA-N	422.575	5.168	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3C)c3ccc(F)cc3)c(O)c2n1	54621672	CUQWJQCWABAXCH-JOCHJYFZSA-N	406.888	6.551	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1-c1ccccc1	150220827	ADUIJLMYWTXXCK-UHFFFAOYSA-N	403.437	5.381	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226706358	ORXMYWYUEWQJHG-IUSZMWJPSA-N	400.736	7.627	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	226800237	YCYBMLGYIFPCPP-FHAGJXEFSA-N	414.936	6.727	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(NCc2cccc(Br)c2O)ccc1F	310657665	WAAALRNFVBKZHG-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC(OCc3ccccc3)CC2)cc1Br	384138061	XLUWLDJGJBFXAE-KRWDZBQOSA-N	417.391	5.305	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCOC)Cc2ccccc2)c(Br)c1	384367150	XLWABBDFFCQGHK-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858588730	WUEDWMLHHBRXMF-RHLDMUPZSA-N	411.514	5.731	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3cccc4ccccc34)C2=O)c1	1865664597	UTMKPKRZEROMIC-BKUYFWCQSA-N	408.423	5.801	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	1865668941	XXSPOYMBUHKTOL-WOJGMQOQSA-N	403.309	5.584	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CCC)cccc1OC	1865670019	DSNLIIOUJOYSKO-CAPFRKAQSA-N	408.498	5.079	10	10	HKCE	
COc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1	1865680010	RYKZZHVUENBUTQ-HMMYKYKNSA-N	418.880	5.192	10	10	HKCE	
[N-]=[N+]=NCCCCSc1cc(I)ccc1Br	1900826430	QLNNQIIXWWLYEE-UHFFFAOYSA-N	412.094	5.236	10	10	HKCE	
Cc1cc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1CNC1CC1	1946826581	IKCBWBMFQJQKGI-UHFFFAOYSA-N	413.609	5.386	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1Br	2231464417	AHKXSSIFZYDWJZ-XLIONFOSSA-N	419.407	5.115	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(Br)c1	2231471914	MHFGUPHYAHFIKP-ROUUACIJSA-N	419.407	5.115	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)SC1=S	2313507575	VGTOJSKBLFSWEL-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	2321643873	KYZJLCNLVXWJBI-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	2321647139	BDYJHKINHYKOPR-UHFFFAOYSA-N	407.516	5.350	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cn(C)c2ccccc12	2332128894	NWZBSZQWOAMFIL-UHFFFAOYSA-N	409.892	5.553	10	10	HKCE	
O=C(NCc1cccnc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6781991	ZYACUNQBMHIUGD-UHFFFAOYSA-N	407.517	5.348	10	10	HKCE	
Cc1cc(Br)cc(/N=N/c2ccc(I)cc2)c1O	13980692	WBKPOBOSAJFNIX-WUKNDPDISA-N	417.044	5.483	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547085	SHWBITLIHFGLDY-LRAJWGHMSA-N	417.336	5.196	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	20696353	NYLITMLDNUZGDG-XFQAVAEZSA-N	414.343	6.160	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)c1	33342706	ORQCSLNDJNYXIC-UNOMPAQXSA-N	420.852	5.724	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54620121	XUSFYQMRWJRAGY-HSZRJFAPSA-N	416.477	5.610	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N[C@@H](c1ccccc1)c1ccc2ccc(C)nc2c1O	54621677	LTMGIBWWIKHFQS-QFIPXVFZSA-N	415.449	5.367	10	10	HKCE	
Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@@H]1COc2ccccc2O1	96662882	ZYMOUWKZPLFJNE-SVYXSEEQSA-N	420.896	5.091	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	250505079	KLOMCKYIGYKTAZ-QNKJOHNESA-N	424.544	5.575	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@H]21	251153038	IGVXOLCPDJCEBN-DPPFLCKZSA-N	408.545	6.313	10	10	HKCE	
CCc1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	254671490	VILBASSFZPQAKS-UHFFFAOYSA-N	407.495	5.121	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cccnc1	299801554	ZCNCIMPXRCKZTI-QHCPKHFHSA-N	406.551	5.651	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl	526422278	RYPSQWAKSQEHOG-OAQYLSRUSA-N	424.953	5.833	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	1860074841	RVMQDDUIEQVYHX-FYJGNVAPSA-N	406.576	5.735	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	1860085411	JHGGKQUGVIESKO-RCCKNPSSSA-N	424.591	5.337	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	1865669575	PLKUACULTAWYEW-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Br)ccc1O	1865672305	VTNJTLJFCQPYCD-LDADJPATSA-N	407.267	5.114	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1	2293426873	MSJYVCLLGDPIJO-UHFFFAOYSA-N	420.921	5.624	10	10	HKCE	
CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1	2296731423	WMAXHDXKYUWHDG-UHFFFAOYSA-N	423.588	5.140	10	10	HKCE	
COc1ccc(CCN2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2323733384	FRSYZSNCHQOGRT-UHFFFAOYSA-N	423.481	5.158	10	10	HKCE	
O=C1S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=S)N1c1ccccc1	8436143	JYDQICJSMHXUNM-AQTBWJFISA-N	407.476	5.427	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635705	VSQHYMLQKOXISI-HWBMXIPRSA-N	416.565	5.926	10	10	HKCE	
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	14004267	MKZGGYQVPKWXEN-PFQPBKSSSA-N	416.506	5.637	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463071	FFIGILPOGBWXLG-PPJWLVRDSA-N	414.593	6.653	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14465449	KWXJRSKJJGVMJM-DXBVXKBHSA-N	415.964	7.178	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14476928	BBXNZZDDEFTMPE-LRAJWGHMSA-N	402.321	6.387	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362906	STXRYWYIMMCUAU-UPVQGACJSA-N	406.913	5.585	10	10	HKCE	
Cc1cc2c(n1-c1c(Br)cc(Cl)cc1Br)CCC[C@@H]2O	312159543	IMGSZZFCKVZIMU-AWEZNQCLSA-N	419.544	5.334	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccc(O)c(O)c2)cc1	526181824	DRTIYBASEKTHQK-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccc(OCc2ccccc2)cc1	708071550	BQIYHFYXPSXMRT-UHFFFAOYSA-N	418.718	5.999	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)SC1=S	1858590642	CCCUXSVEGUZTET-FABDANFUSA-N	421.628	6.044	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1CCc1ccc(F)cc1	1858591507	QLAOUIMVHFXKNK-LFIBNONCSA-N	422.344	5.032	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(C(C)(C)C)cc2)cc1	1865658882	VFYVYCYUZFZQID-HKOYGPOVSA-N	410.517	5.827	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc1	1865668136	HUUZMNJWWHHSSN-RGEXLXHISA-N	402.416	5.210	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c1	1865670080	HOQKIRIIKOPQKT-WJDWOHSUSA-N	408.807	5.083	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c1	1865670282	ROPTXRRTKOPAKE-KQWNVCNZSA-N	400.453	5.055	10	10	HKCE	
CCCCCOc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871126879	XLEFPULUGQGSPC-UHFFFAOYSA-N	419.569	6.183	10	10	HKCE	
CCc1nn(Cc2cccc(Br)c2O)c(Br)c1C(C)(C)C	2079616785	VSAUBBWKMNKTTM-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1csc(NC(=O)OC(C)(C)C)n1	2114314870	MMVSWRNEQSIQRC-SECBINFHSA-N	418.346	5.353	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC	2297561005	FETGSQOKPXHNLB-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)ccc1Br	2321743489	RWLGQAGBPMDDQD-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cc1	2332116738	UAZYCGLWGCVTRP-UHFFFAOYSA-N	418.581	6.454	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468411	NNOHXGZAHWTUES-GLDPYIMESA-N	421.493	5.014	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476340	GRFCPPKMBKOZSX-MVOZIGHISA-N	424.544	6.075	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543352	ROWLINWKRDDIEJ-SGIRGMQISA-N	416.565	5.928	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544310	GVVVYBGUVWTBBV-DYRZZGSRSA-N	412.533	5.815	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1O	20690539	HXGLCMVQODMZIA-IECBHUPTSA-N	418.537	5.244	10	10	HKCE	
COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	33399442	QSEHFXNWKBICLU-NVNXTCNLSA-N	410.347	5.403	10	10	HKCE	
CN(C)c1ccc(-c2nc3ccccc3n2CCOc2cccc3ccccc23)cc1	39908219	PMPYANBUOGKENS-UHFFFAOYSA-N	407.517	6.002	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@@H]32)cc1	169943538	UDGIMXXFDFLYIP-XCZPVHLTSA-N	424.592	5.236	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900428	CYROTHFZIWPZTI-MIHVYDCKSA-N	405.541	7.607	10	10	HKCE	
CCn1cc(CN2CC[C@H](c3ccccc3OC)Sc3cc(OC)ccc32)c(C)n1	299786708	PLERNFPEVPWVGB-HSZRJFAPSA-N	423.582	5.472	10	10	HKCE	
CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1	380866289	LWVOVFRGJQUTIX-QGZVFWFLSA-N	417.377	5.262	10	10	HKCE	
Cc1cc(NCc2cc(Cl)cc(Br)c2O)cc(C)c1Br	708099375	PBDCXAOZYWSJES-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H](C)c2ccccc2O)c(Cl)c1	1088733023	GTLVUUTXTMIJHA-QGZVFWFLSA-N	410.970	6.314	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)cc1F	1860087300	NVILNIADUDBMAF-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865669124	CQEBBVQOAATSJK-UYRXBGFRSA-N	402.416	5.128	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2sccc2C)cc1	1865670730	OMUWNKYWWUSWLM-KGENOOAVSA-N	402.519	5.204	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679978	QJQZOENJVIPMIQ-GZTJUZNOSA-N	403.707	5.689	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C3(Cc4ccccc4)CCCC3)cccc21	1866200440	CIVWTNLVTRSTDB-UHFFFAOYSA-N	409.485	5.204	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)nc1-c1ccccc1	1891897663	MHULGFQNVLPJGU-UHFFFAOYSA-N	416.421	5.077	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2ccc(Br)cc2O)c1	1925135798	KQWAEKVQUUEDLC-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	2295927440	JREFVTUOPYUWED-UHFFFAOYSA-N	424.591	5.150	10	10	HKCE	
CCOc1ccc2ccccc2c1C=C1SC(=O)N(Cc2ccc(F)cc2)C1=O	2297308103	CGJTUOIILYFPKJ-UHFFFAOYSA-N	407.466	5.614	10	10	HKCE	
COc1cccc(C(=O)N[C@@H](C=Cc2ccccc2)c2c(O)ccc3ccccc23)c1	2297336943	DLQOOFHLGXPYRZ-DEOSSOPVSA-N	409.485	5.739	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O2)cc1	2313510413	DOPUENRSJBXZJZ-UHFFFAOYSA-N	423.808	5.498	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2314532831	MWOCKTGAFNECMW-UHFFFAOYSA-N	424.330	5.026	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC	2323767143	YFIKUXIDZBCYLC-OAHLLOKOSA-N	413.564	5.446	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1	2332104927	GGWZLIPQGWTLGO-UHFFFAOYSA-N	409.205	5.106	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2sccc2C)cc1	2332127531	GYGMOJSQORSUQM-UHFFFAOYSA-N	416.546	5.512	10	10	HKCE	
O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	14004284	QWVXHUMVAVZRBK-WCWDXBQESA-N	405.439	5.137	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458490	SRQJNBHRBAYZBJ-PPJWLVRDSA-N	408.545	5.794	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477306	DGOUZPYNMYLWSD-WJONJSRFSA-N	415.364	6.302	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550372	CAJJNNJSUNCPRK-ZEVJAHDQSA-N	424.544	5.794	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20698384	DZKILBOXYMCIQS-RQTOMXEWSA-N	402.538	5.109	10	10	HKCE	
O=[N+]([O-])c1cc(/C=C\c2nc3c(ccc4ccccc43)s2)ccc1N1CCCC1	34881291	LQDDULLLQXXTNQ-WQLSENKSSA-N	401.491	6.128	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)cc1OC	39870251	FCTWTVCIOFCKRZ-STZFKDTASA-N	410.539	5.573	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O	40570647	JKWNDUUPRAMMLR-KQWNVCNZSA-N	415.562	5.401	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(Cl)c3)c3ccccc3)c(O)c2n1	54621841	ONMARWWFLNTEFG-OAQYLSRUSA-N	409.316	6.757	10	10	HKCE	
CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)SC2)cc1	72413682	ZRVVTWUAAPITSK-JOCHJYFZSA-N	414.534	5.322	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=N)N12	102469402	PQPICROVGBCKAX-QWLAECPXSA-N	404.539	5.385	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(SC)cc2)cc1	104622788	LJOLRJUESUFUHT-CJLVFECKSA-N	400.503	5.252	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)CC1	226707880	GYIXTIZJQIPJHO-PQNGQFLHSA-N	406.957	6.039	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)c(OC)c1)N2	226710646	PHTXWGUVEIPTHO-DOQJBMMISA-N	412.917	5.619	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226791384	CAJJNNJSUNCPRK-UMFSSWHCSA-N	424.544	5.794	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	381488783	LJSFRVWLBOGSGU-SFHVURJKSA-N	409.371	5.936	10	10	HKCE	
CC[C@@H](C)N(C(=O)OCc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911518	ZMBPTNBQEOTJDZ-QGZVFWFLSA-N	413.473	5.404	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccccc1C(F)(F)F	1860086437	HUIHRTLEMGVSDO-RIYZIHGNSA-N	415.845	5.470	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	1865678608	VAXWQFQFBGFHGF-JYRVWZFOSA-N	415.198	5.351	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCCC2)cc1	1866123869	WGEBUNUHBZBTPZ-FQEVSTJZSA-N	420.384	5.016	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1	1866233734	KBCFBPWOBPNHNM-UHFFFAOYSA-N	419.974	6.318	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915403394	ANKCPLIOPAOBST-UHFFFAOYSA-N	401.373	5.437	10	10	HKCE	
CSC1=NC(=O)C(=Cc2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)S1	2054347242	YEWXSUMQTOOGGC-UHFFFAOYSA-N	414.861	5.754	10	10	HKCE	
CC[C@H](N[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2127785555	APLNZNPLGXFEBM-SCWSEQNSSA-N	417.391	5.106	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3c(OC)ccc4ccccc34)SC2=S)cc1	2297242739	GOULRSRVAYMEAC-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCCCC1	2323725629	QPERJPNYCWXXIJ-UHFFFAOYSA-N	400.396	6.308	10	10	HKCE	
Cc1ccccc1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782053	NYVFTHRGEXASKD-UHFFFAOYSA-N	420.556	6.262	10	10	HKCE	
Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])S1	13150181	UECLOUKIOONEOS-UWWCCNHXSA-N	423.494	5.371	10	10	HKCE	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC[C@H]2CCCO2)cc1	13619459	LNDJTMDZAAYKNN-YGKZTHBJSA-N	401.466	5.912	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458016	IQDVFUKWESKMSB-FVVBACEJSA-N	409.573	7.060	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226904467	XYNJSCYMGBJMAG-AWVRMFGXSA-N	411.545	6.533	10	10	HKCE	
Cc1cc(NCc2ccc(Br)cc2O)cc(NC(=O)OC(C)(C)C)c1	687307081	VUUAXOWOAXJKIZ-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccccc2F)cc1	1865653967	BCHWFGDHXLTPGU-HAVVHWLPSA-N	422.459	5.822	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)CO)c(Br)c1	1915769647	HTJGFARLRHBCNM-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1ccc(Br)cc1O	2069941416	NDWDCECXTUDOTH-UHFFFAOYSA-N	421.335	5.012	10	10	HKCE	
Cc1cccc(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c1O	2079720466	ODIMIQYMCIRMBU-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2079992521	FDROWEMKMZYZGJ-FQEVSTJZSA-N	402.922	5.303	10	10	HKCE	
CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC12CCCC2	2155192759	KPXLSJIBGYHVNV-HNNXBMFYSA-N	415.361	5.111	10	10	HKCE	
Cc1ccc(NCc2ccc(Br)cc2O)cc1CNC(=O)OC(C)(C)C	2231332294	UPKHOLQKLLXBKU-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CN1C(=O)C(=Cc2ccccc2OCCSc2ccc(Cl)cc2)SC1=S	2293338431	WJZWPSOUHGTICP-UHFFFAOYSA-N	421.996	5.342	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1ccc(C)c(Cl)c1	2297465636	YOKIQETVSDCCNQ-UHFFFAOYSA-N	418.722	5.438	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323802703	BOXQTDZPNJUUDK-UHFFFAOYSA-N	402.412	6.409	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCCC1	4819003	WELPSTDHUUCDBA-YZUZCNPQSA-N	417.509	5.438	10	10	HKCE	
CC1CCN(c2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)CC1	6738001	FXVRQRVVEKBELN-QGZVFWFLSA-N	415.537	5.512	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(C)C)cccc4[C@H]4C=CC[C@H]43)ccc21	13642930	LPMYPXDNGFXUAG-ZCUZBQTDSA-N	406.573	7.764	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14460444	OVVXGXXLKOGUPJ-MIZPHKNDSA-N	406.957	6.183	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468003	APSFNPYPWDBLJJ-VTJXTGGHSA-N	417.336	6.264	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14544657	ADFXOXFARVPWJV-XBHMSOGKSA-N	412.274	5.599	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCOCC1	20698818	GIVWNWMSUYFBKX-QFZWGZQFSA-N	410.517	5.139	10	10	HKCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1	59336843	SGULPRIYHSIEKO-UHFFFAOYSA-N	420.848	5.101	10	10	HKCE	
CC(C)c1ccc(N2CC[C@H]3CCCCN3[C@@H]2c2cc(Cl)cc(Cl)c2O)cc1	253607328	MNROYYGFKZTBDO-JPYJTQIMSA-N	419.396	6.586	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309790095	IJKRCUXVLLUJEV-LJQANCHMSA-N	423.398	6.326	10	10	HKCE	
CCNCc1ccc(N(C)Cc2cscc2Br)cc1Br	710017188	IDRJDZCZXXYIEK-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(C4CCCCCC4)C3=O)n12	1858586344	AQBRUACFAKJZPM-MDWZMJQESA-N	412.005	5.282	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OCC	1858590046	VDYKHFNOBQEYSU-MDNBDKBPSA-N	405.585	5.264	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(OC)c(OC)c1	1865677583	ROZPCKYZVZOIBO-RVDMUPIBSA-N	416.880	5.078	10	10	HKCE	
CCN(CC)c1ccc([C@H](O)c2cc(Br)c(Br)s2)cc1	2163099245	HFLXFIUBZJQDLG-AWEZNQCLSA-N	419.182	5.201	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=S)N1Cc1ccccc1	2314486217	BYHKLXVTPDFCCH-UHFFFAOYSA-N	422.487	5.892	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccccc1	2323700438	UCPFJMDKJDSNBV-UHFFFAOYSA-N	413.564	5.274	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1C1CCCCCCCCCCC1	2323743666	PBXJOVMXRNSMBH-UHFFFAOYSA-N	405.604	6.700	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1Cc1ccc(Cl)cc1	2323840464	GPBMUEHRQGVTKN-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133081	AOHKBJIYEQPBRF-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1	2332141621	KXFUWILMSPFJCP-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
COc1cccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	2332141786	ZWDHLHXCCZSZEU-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	4163395	WUTTZCNAGSDZKM-MPGHIAIKSA-N	401.260	5.192	10	10	HKCE	
C[C@H]1CCCN(c2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)C1	6738013	OMOIBQHOZQXZCL-INIZCTEOSA-N	401.510	5.266	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461230	SIWTVQCLZFTVHX-DAAPVNGYSA-N	414.343	6.159	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549395	RYEBGPRMZVCNAI-WHCXKFMVSA-N	404.513	6.179	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14552426	TZSFARIJXVFKBL-ZYLNGJIFSA-N	414.936	6.727	10	10	HKCE	
Nc1ccc(N(C(=S)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1	244426490	YWPCKYLAZCORNK-UHFFFAOYSA-N	409.558	6.071	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250638464	BPRZLPAZPVOYLE-LGVFNWMJSA-N	422.355	7.399	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	1860084874	TYFJNUSBBNNZST-KGENOOAVSA-N	419.527	5.899	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2034826065	CQMUHOLPSZCPRR-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(Br)c1	2095879957	UEELOAFRWIXBFR-FQEVSTJZSA-N	417.391	5.134	10	10	HKCE	
CN(c1ccccc1)c1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1	2297303497	SWNRIPMUYVTBDB-UHFFFAOYSA-N	420.534	5.999	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321602907	QGLAAKIEXYESTO-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	4163401	WUTTZCNAGSDZKM-DAYGRLMNSA-N	401.260	5.192	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(OC)ccc(OC)c4[C@H]4C=CC[C@@H]43)ccc21	13642477	WVQXAJQCVCCDQN-OWOAZTCBSA-N	424.544	6.658	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457491	IKBYAISAGSMLST-DFIYOIEZSA-N	420.553	5.490	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459208	MSAZERKXGOKMHM-AXHZCLLHSA-N	418.537	5.099	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478813	SYPBPWPUKYHNHS-FXSPECFOSA-N	408.545	6.094	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21	14548726	FLZNRVLWCMIHJP-LJFZDNNRSA-N	400.547	5.847	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(C)C)cc2)N3)c1	14553573	ISXJSMOMMKTGTM-SKVJQKLOSA-N	422.572	7.197	10	10	HKCE	
COc1cc(Cl)cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O	15016857	CTMMFJRACJWHSJ-IIBYNOLFSA-N	412.898	5.358	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226738114	MRWFOLXSNMHZDB-INNMJMHTSA-N	411.545	6.881	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1	526225493	NRLAITHQSJXIQG-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F	1865670887	XKQZWKQRNPANJR-WQLSENKSSA-N	415.234	5.168	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F	1865676196	WNAYCRWADHRAJJ-WJDWOHSUSA-N	422.834	5.471	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cccc(F)c2)cc1	1865679050	RUUIDYGBEDIZEH-BUVRLJJBSA-N	414.480	5.281	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1	1865679062	SORYVFOKLDLZNP-GDNBJRDFSA-N	414.305	5.063	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2ccncc2)sc(C)c1-c1ccc(C)cc1	1866157919	TUKROKMGEWCICL-FYWRMAATSA-N	406.507	5.256	10	10	HKCE	
CN1CCCc2cc([C@H](N)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999538226	KUDJVDJWXORVQJ-HSZRJFAPSA-N	423.601	5.286	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2034781239	DERQJPXVBFNKRM-KRWDZBQOSA-N	403.408	6.315	10	10	HKCE	
Cc1ccc([C@H](C)NCc2scc(Br)c2Br)c(O)c1	2094177367	NMOUPBGZLOHGEB-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCN(C)C)Cc2ccccc2)cc1Br	2095865861	ALDHIRJUYRFACO-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100218221	BFIQHGHBAUXYSR-JHVJFLLYSA-N	418.375	5.323	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2cc(Br)sc2Br)cc1	2163102490	KWZJSGAVWZJQCY-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
Cc1ccc(Sc2ccc(C=C3SC(=S)N(Cc4ccccc4)C3=O)o2)cc1	2293453437	HUFTZYLXECYBFL-UHFFFAOYSA-N	423.584	6.141	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1	2297297168	CPJFRURCYGWNRT-UHFFFAOYSA-N	408.460	5.261	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl	2297357556	JZOBUKUXXRBIIU-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1F	2321646912	GTPJGTFHPRRFNV-UHFFFAOYSA-N	408.863	5.102	10	10	HKCE	
Cc1ccc(CN[C@@H]2CC[C@H](C)C[C@H]2OCc2ccccc2)c(O)c1Br	2352683388	HHMCPFDBWOSVLF-CWFSZBLJSA-N	418.375	5.327	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1c(Cl)cccc1Cl	5823994	TZPSYOPGIAPSAG-JLHYYAGUSA-N	406.240	5.010	10	10	HKCE	
COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	6581432	YOPDLRSJNGGLKF-OQLLNIDSSA-N	414.335	5.101	10	10	HKCE	
O=C(NCc1ccccc1F)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782054	HIHVVILOSQBYRD-UHFFFAOYSA-N	424.519	6.092	10	10	HKCE	
COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	10910117	VCEHSKBZPUQJFL-VWLOTQADSA-N	413.473	5.082	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465054	CPKBACYWVWHNFU-OPYAIIAOSA-N	416.974	5.243	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468243	VQMXUZOMUIFABG-MRUHUIDDSA-N	414.299	5.210	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14472983	QSHKRZILIHYESH-ZWWNWMABSA-N	423.900	5.311	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546453	BBNBOEHUGQUFTJ-ISJBWFOZSA-N	410.517	5.798	10	10	HKCE	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	35073796	YOEGLSYSOSELQB-MOSHPQCFSA-N	413.564	5.507	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	226844527	FYALJYIWVLQWDW-INNMJMHTSA-N	422.572	6.683	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226898869	JQGRMXPUZQUUCM-CPVJYWEUSA-N	412.533	5.900	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCCCC1	1858586353	BDEBGXIGWCDJOC-CJLVFECKSA-N	423.603	6.190	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858590855	LWMMVZXMSQMQLY-KNGSKEOJSA-N	402.412	6.554	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S	1860085261	ZRMGCDWILJEJIW-NTUHNPAUSA-N	405.957	5.072	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677178	WKONONMNMAWDGU-WUXMJOGZSA-N	410.644	5.361	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080026524	XLUXNHGXGHZJLU-SFHVURJKSA-N	406.954	5.579	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1)Cc1ccccc1	2217123374	WUBHOAOVXITBCM-UHFFFAOYSA-N	413.609	5.467	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccccc3)N=C2Sc2ccc(Cl)cc2)c1	2296799018	ZOGGHVBSOFJESG-UHFFFAOYSA-N	420.921	5.885	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2321591472	XTOOVWQCOFLEIE-UHFFFAOYSA-N	409.620	6.733	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099286	DYHOVMYRGBDYPI-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OCC	2332106869	PYDITMXNPLJTRT-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1/N=N/c1ccc(Oc2ccccc2)cc1	6597884	RNIGPVUOJVSFLA-QURGRASLSA-N	403.663	7.016	10	10	HKCE	
CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	10681772	IHYHHVJSAKPRRU-YGYVYTMASA-N	415.537	7.412	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1Cl	14477162	QRLXZMYXDGTESD-CFLDLGCGSA-N	416.348	6.378	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547034	APMHICKUVCUITI-PBPSECFOSA-N	415.364	6.805	10	10	HKCE	
O=C1/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1Cc1ccco1	35515829	JAEPBGFPKLUDAE-UNOMPAQXSA-N	418.499	5.489	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1	35677847	IGKIJCTWCBTZEE-XSFVSMFZSA-N	423.946	6.538	10	10	HKCE	
CC(C)[C@@H](C(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	100848821	UWINOIRLQDHVIM-FPEJUQHSSA-N	402.454	6.389	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226724172	TVCQYMDHVLHWTM-PQNGQFLHSA-N	408.973	6.429	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226786379	VVCPNBKWZWUSGH-DPLHUUCSSA-N	418.606	6.298	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385440916	GETWPZVMPQSCOT-SFHVURJKSA-N	415.419	6.000	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccc(Cl)cc1Cl	1860084829	OKYCDSVXUFIUFH-MKMNVTDBSA-N	416.738	5.758	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C	1865667115	FZEYHEKWRIBECF-CPNJWEJPSA-N	421.294	5.417	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2C)cc1	1874141116	YTMJTCPEBJEMIE-ABVOBTCJSA-N	406.570	5.437	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2C)cc1	1874758384	ROWNTZZPTLWZCC-UHFFFAOYSA-N	423.727	6.315	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1Br	1915458516	SHDPCUZNTRUFMU-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1	1977941771	PKSMSCOKIBSYNT-QHCPKHFHSA-N	411.590	5.360	10	10	HKCE	
Brc1cc(CNC2CCC2)ccc1N(Cc1ccccc1)CC1CCC1	2231454724	QIJWSHSCAZCEOA-UHFFFAOYSA-N	413.403	5.898	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1	2297511352	DTSQMIUEPYPFLS-UHFFFAOYSA-N	418.909	5.243	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1Cl	2321669685	GLWYSBYQLXESBQ-UHFFFAOYSA-N	403.956	5.841	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1C1CCCCCCC1	2323732941	LIJXRPJOIBFFPI-UHFFFAOYSA-N	400.396	6.308	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c1	2323865073	CYGPLHYFKDXSJV-UHFFFAOYSA-N	403.956	5.530	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332105117	ZOEYDZJDRLJBBX-UHFFFAOYSA-N	424.125	5.952	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(OC)c(O)c(OC)c1	2332147785	XVACRXUFIGSUAV-UHFFFAOYSA-N	416.477	5.149	10	10	HKCE	
COc1cccc(/C=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c1OC	13125035	WIXGXHLZRURSCC-IBCPKIBISA-N	424.500	5.594	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639239	CBIPDGRRENUFQU-WFXMLNOXSA-N	414.343	5.691	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472297	KKVXUGIWGJMHFH-XFQAVAEZSA-N	411.889	5.813	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546260	SCJLHXZQGGXZFM-XXAUWVGASA-N	413.517	5.980	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550324	SMFAHOCUPJIVPD-FXSPECFOSA-N	424.544	5.494	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20749495	SCJLHXZQGGXZFM-VHFRWLAGSA-N	413.517	5.980	10	10	HKCE	
CCOCCCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	20857880	XJXLUWMLJJCQTE-MRXNPFEDSA-N	419.525	5.114	10	10	HKCE	
CCOc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1	59372351	LSFUKGXEVJSUOC-BOPFTXTBSA-N	404.944	5.010	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526293711	NZCQDCIAWNNQFK-JOCHJYFZSA-N	404.897	5.463	10	10	HKCE	
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084595580	SPBDJEYQVNRCGI-YRCUWOAVSA-N	404.470	5.768	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1Cl	1860075432	VIHDJRMOKCLQAS-WOJGMQOQSA-N	417.983	6.052	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC	1860083883	BEKLFLLMVWPSGM-DEDYPNTBSA-N	413.564	5.623	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1cc(C(F)(F)F)ccc1O	2069941085	GZWSAMWPPOJVDQ-UHFFFAOYSA-N	410.436	5.269	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2095888198	CCQINTFLPFDNEO-SFHVURJKSA-N	415.419	6.459	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2c(N)cccc2Br)C1	2106215679	KOXGBBDGWUUWTC-OXQOHEQNSA-N	424.383	5.013	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1ccc(CNCc2cc(Cl)cc(Cl)c2O)cc1	2175704948	UMZRLJOAULBDSV-UHFFFAOYSA-N	411.329	5.360	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1	2297258621	NYZSIEKTBHGRPY-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2297298588	QMQZDAOMWFWMOL-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	2297357557	JZTLBFQYSVLOLH-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12	2297533918	ROHIPGIFRVDPOP-UHFFFAOYSA-N	419.358	5.485	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1OC	2321569988	JRLMEYRNHJSRKX-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1	2321592535	AQHSMHUNLYQHND-UHFFFAOYSA-N	403.956	5.794	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1	2321680744	ZQXVWKBHWTXXDO-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc1OCC	2332113907	WZZAZGOCFMEAES-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1	2332140886	SORYVFOKLDLZNP-UHFFFAOYSA-N	414.305	5.063	10	10	HKCE	
COc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	2332148546	VTSHCSIINFDFJR-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CCCCC3)cc1	2909655	RRJUQBLKDXHYBP-UHFFFAOYSA-N	410.539	5.791	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641900	YRKUFZZWXPURSB-RHGYRFJNSA-N	422.525	5.278	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456239	UNAMWONNGGPHSI-JTAQYXEDSA-N	400.547	6.160	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457663	NOOHABGKPJVXHP-FVJLSDCUSA-N	415.318	6.043	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1c(C)cc(C)cc1C)[C@@H]1CC=C[C@H]21	14458077	TYAJLGVCGXSBFG-DZRGJMJISA-N	404.554	5.205	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458152	KMVMOLSYJMJQBN-OBTVHEKISA-N	414.593	6.455	10	10	HKCE	
O=[N+]([O-])c1ccc2c(c1)sc(=S)n2CNc1ccc(/N=N/c2ccccc2)cc1	15773072	VKSJDLBGYGRKSM-GHVJWSGMSA-N	421.507	6.825	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@@H]21	20720252	WIYNHHFDVCJJIA-JQXZYWDBSA-N	419.528	5.924	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl	33317790	UYFRFILOIGBPKK-FLIBITNWSA-N	411.697	5.318	10	10	HKCE	
O=C1/C(=C/C=C/c2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	33424121	ZIBPTSFCJXVTRF-JLJGJNDSSA-N	402.884	5.210	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3cc(C)cc(C)c3)C2=O)cc1	205955193	MMGXUWUXIJBCPB-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
Cc1cccc(N2CCN(C(=S)N(c3ccccc3)c3ccc(N)cc3)CC2)c1C	244409083	YOWMUEOLIBOTJO-UHFFFAOYSA-N	416.594	5.131	10	10	HKCE	
Oc1ccc2ccccc2c1N=Nc1c(OCc2ccccc2)ccc2ccccc12	254401001	SSOOANDCDRQMJZ-UHFFFAOYSA-N	404.469	7.693	10	10	HKCE	
O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1C1CCCCC1	1084410511	CAMQXNRJIKBBEO-PXLXIMEGSA-N	403.572	6.527	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1	1860086093	JOAGURREQRTVQB-HMMYKYKNSA-N	413.564	5.757	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc1OC	1865669206	HHJQSDFHSCRBDP-NBVRZTHBSA-N	412.917	5.724	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2cccnc2)sc(C)c1-c1ccc(C)cc1	1866162519	JIWRAAUCFBQDIF-OAHLLOKOSA-N	408.523	5.346	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Oc2ccccc2)cc1	1892122423	ROBXDYCFBXDENP-UHFFFAOYSA-N	408.504	5.403	10	10	HKCE	
Oc1ccc(Br)cc1Cn1ncc(C2CCCCC2)c1Br	2070289794	KQLKVAGMCODMKQ-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(c3ccccc3)C2=O)o1	2293370076	PASWFDLKYHSHMR-UHFFFAOYSA-N	405.431	5.194	10	10	HKCE	
COc1ccc(Br)cc1C=C1SC(=S)N(c2ccccc2F)C1=O	2297357761	HREAKOCFWYQGFI-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1	2321569812	CPXCJABRAHKUHQ-UHFFFAOYSA-N	421.902	5.062	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1c1ccccc1	2332133570	AZODAZHVDSVYEY-UHFFFAOYSA-N	416.908	5.962	10	10	HKCE	
Cc1cc(Br)c(F)cc1NCc1ccc(C)c(Br)c1O	2381138041	RYJJXGJKJZJXCF-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	14458740	LJSKUVQRTMEAHQ-PPJWLVRDSA-N	408.545	6.488	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14460534	PREVMOAUSPBGCF-PLXFJCCSSA-N	401.937	6.788	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14465092	HXIMPCSTCDQPQI-MIZPHKNDSA-N	406.957	6.229	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476604	VPSAIRMFWCEZLE-UZINWLIJSA-N	424.544	5.794	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480112	JQOOPRMVTZBTSZ-FXSPECFOSA-N	408.545	6.094	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548303	SOUFZDXNVHOSST-LZCXECNNSA-N	412.533	5.854	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	20749392	QAFAEUFKMAOPRX-UMEGOILYSA-N	416.565	5.926	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	1865674917	FQRCMBDTDWYJKM-ZROIWOOFSA-N	413.226	5.904	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678830	GMHWLZGRSKWHMT-LFIBNONCSA-N	423.232	5.664	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2ccc(Br)s2)cc1Br	2156990949	XXWXBGAEGTXOFL-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccccc1F	2297578841	SXZGLGFUIQBOIY-UHFFFAOYSA-N	412.294	5.174	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC	2321591359	OBLUYVIEZVQKRU-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323681528	WUEDWMLHHBRXMF-PCBIJLKTSA-N	411.514	5.731	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)c1	2323842651	GJTKBCONCKFZLI-UHFFFAOYSA-N	403.956	5.529	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	2332130480	CSORVAASUAVVES-UHFFFAOYSA-N	409.533	5.676	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N12	4150681	ORVLVTPGGHHARR-GICBFTDPSA-N	410.930	5.223	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548072	JKTPUXYIGQQANP-AOUJKTHWSA-N	412.533	5.900	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	39859164	JBRSRUPGQCNEFB-GDNBJRDFSA-N	404.354	5.472	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1	53363126	LRJGRPNDSGZUHH-DHLKQENFSA-N	402.494	5.022	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363609	LQLDRLSXCPUIGT-ZJSXRUAMSA-N	406.913	5.585	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@@H]2C=CC[C@@H]21	226900990	DGMPOGGTCCZMJQ-YDIMBITNSA-N	402.538	5.394	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1	253571446	OYQSAWZINGOLTK-HNBVOPMISA-N	402.925	5.745	10	10	HKCE	
CCOC(=O)c1cc(-c2ccccc2F)n(-c2ccccc2)c1CNc1ccccc1	606654894	LANZVQPTBLYFCH-UHFFFAOYSA-N	414.480	6.072	10	10	HKCE	
CCc1cccc(CNc2c(Br)cc(Cl)cc2Br)c1O	709434235	XLGOJOSULFPIQO-UHFFFAOYSA-N	419.544	5.745	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4c(F)cccc4F)n3)cc2)cc1	1857850504	PQPAQIICXCNRIL-UHFFFAOYSA-N	424.541	6.771	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858590558	XVGSVFAVRAVMGV-GXDHUFHOSA-N	412.418	5.865	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c1	1860087827	VQUDGSRCEKTXKW-OQLLNIDSSA-N	411.426	5.005	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	1865670696	MZFCQTMPDSJKHV-VBKFSLOCSA-N	410.901	5.679	10	10	HKCE	
CC(C)(C)C(F)(F)c1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1	1866138824	ORJDBFPVHZDPSV-UHFFFAOYSA-N	410.464	6.451	10	10	HKCE	
Cc1ccc([C@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C	1868170702	HSJJZUKTTCYJGJ-HSZRJFAPSA-N	423.512	5.601	10	10	HKCE	
CC(C)(C)c1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc(C(C)(C)C)c1	1891276046	HPUMJYAARWGLKM-CPJSRVTESA-N	418.625	6.200	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2nc(C3CCCCC3)cc2I)cc1C	2070169460	VCZDJZBJHLTQNE-CQSZACIVSA-N	424.326	5.467	10	10	HKCE	
Cc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2I)c(O)c1	2070170479	MUBBVXRYNBFICA-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
CCC[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	2157618658	XLCRBRJOXJYKSA-FQEVSTJZSA-N	417.377	5.358	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CNc1ccccc1F	2313503184	YDTIBQNXMVNLGE-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1	2321638145	DJDLFLSHKSYGHJ-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
CCN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	2332120756	MRSCFYQSLIAURH-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
CCCC1=NN2C(=N)/C(=C\c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	5025815	HJNKKEKFLVLVMM-RAHMVZLSSA-N	402.545	5.124	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473220	BKUDZDQAJLFLRS-CKJXQJPGSA-N	400.862	5.100	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1ccccc1O	14993787	YGHJIBCWPWWWDS-HSZRJFAPSA-N	407.535	5.653	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226684584	TVTCWKWFMLWKIX-XQBPLPMBSA-N	422.575	5.684	10	10	HKCE	
CCCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc21	303242469	KNUXRDWCDIPZFA-DEOSSOPVSA-N	419.956	5.540	10	10	HKCE	
CC[C@H](Nc1c(Br)cc(Cl)cc1Br)c1ccccc1O	379669666	DYVKGNFTGANZAP-ZDUSSCGKSA-N	419.544	6.134	10	10	HKCE	
Oc1cccc2c1[C@H](Nc1c(Br)cc(Cl)cc1Br)CC2	380804366	XHWBZSVFPFSDOL-GFCCVEGCSA-N	417.528	5.670	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\N3CCCC[C@H]3CC)SC2=S)cc1	1084042828	NMCDDLXSVHWWGJ-ORMOWBNMSA-N	404.601	5.336	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1cccc(F)c1	1865658615	OTPVWDOQQBMEPR-UQQQWYQISA-N	406.460	5.809	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OC	1865672378	ZGEMFISHQBSDCW-OQKWZONESA-N	420.553	6.159	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1	1866014930	WNSYKLCKIQYHCE-CYBMUJFWSA-N	417.292	5.774	10	10	HKCE	
CCOc1ccc(C2=CC(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)O2)cc1	2313510648	ZLLYCUKQEZCARA-UHFFFAOYSA-N	419.908	6.128	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321592562	LZLUOTIRPZTSEI-UHFFFAOYSA-N	421.509	6.454	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC	2321656303	WSTDHMUNFAQXNT-UHFFFAOYSA-N	413.564	5.452	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)C1=O	2332118530	WNGFAEDGQZFYOF-UHFFFAOYSA-N	402.416	5.128	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1c1ccccc1	2332133772	ZAMRCSWVTLHXCI-UHFFFAOYSA-N	416.908	5.962	10	10	HKCE	
CCN1/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)C=Cc2cc(C)ccc21	2597421	DHGQOLAZTODPLY-MRCUWXFGSA-N	406.576	5.163	10	10	HKCE	
C/C(=C1\SC(=S)N(c2ccc(C)cc2C)C1=O)c1ccc(Br)cc1	2700381	KBMHFUXAPQYLEC-GHRIWEEISA-N	418.381	5.862	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)S2)cc1Cl	6859953	PKWDUABWBMJDRW-VIZOYTHASA-N	408.266	5.292	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635541	GBBNSXIQMYGZBA-HWBMXIPRSA-N	410.517	5.452	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461301	MORJUVHNJNZASR-PDSXEYIOSA-N	413.315	5.330	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462816	CXXNCKQSCBNRKC-SLSDLSHTSA-N	424.610	5.667	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1	14464563	MKIFZKXMUVVQEW-SYVJQLTCSA-N	410.517	5.139	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471018	CEDREAVASYXIJX-AVYPCKFXSA-N	411.889	5.215	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477812	SCRDNEPIELXGBM-DOWNOZBLSA-N	416.348	6.378	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480064	HDIIWKDTQPEOSH-FXSPECFOSA-N	408.545	5.794	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551063	BZUHJNLFSSZZLY-ZOCZFRKYSA-N	411.889	5.813	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	20700056	ZBBQYALDNISNMV-DZCCDHAISA-N	408.929	5.075	10	10	HKCE	
CN(C)c1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1	21891890	FDWLQTMKEKLCEC-VWLOTQADSA-N	414.553	5.101	10	10	HKCE	
O=C1/C(=C/C=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12	34863448	FGBNBRHEEHLBIU-CJIJWIPPSA-N	408.460	5.303	10	10	HKCE	
C[C@@H]1CCCN(c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])C1	101473394	LXQCXLWVMPZPFQ-ZGKJFVQXSA-N	417.473	5.780	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2	226667737	ZDTFYNCHGUVAFX-PMAPCBKXSA-N	409.961	5.971	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226724649	MORJUVHNJNZASR-PZPWOCDFSA-N	413.315	5.330	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2	226808593	UWPLZTLOVSSOLQ-ONBPZOJHSA-N	423.560	6.140	10	10	HKCE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	248079043	UUROGQFMMUTBLH-RTWAWAEBSA-N	416.487	5.458	10	10	HKCE	
Cc1ccc(O)c(CNc2c(Br)cc(Cl)cc2Br)c1	311276415	HVWOOUCRBDQJSB-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1	1074740189	AFLVJSJCGOFTTI-TXQKVVBPSA-N	407.642	6.540	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1Cc1ccc(Cl)cc1	1858590731	GPBMUEHRQGVTKN-RIYZIHGNSA-N	414.766	6.048	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(N3CCC(C)CC3)cc2)C1=O	1860085501	OEGYIPTWWHIINF-RCCKNPSSSA-N	408.592	5.637	10	10	HKCE	
Cc1cc(C)c(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1	1860482010	FKMYMAWDDPNKGA-BYYHNAKLSA-N	418.972	6.363	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CCC)cc1OC	1865671277	UAVULLPOVRGPOH-HMMYKYKNSA-N	424.516	5.595	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2C)cc1	1873835837	SXOQMWCQZVFQLA-UHFFFAOYSA-N	424.544	5.945	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915439946	YMTXUHHFZTTWJY-APWZRJJASA-N	417.391	5.304	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(Br)c1	1915456204	GMLANRNKQUSSQE-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	2034733097	ZDXLREZAPMNAQY-UHFFFAOYSA-N	414.221	5.116	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1cccc(NCc2ccc(Br)cc2O)c1	2040723826	OSLUEFTYQBNASW-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100218225	BFIQHGHBAUXYSR-RVHYNSKXSA-N	418.375	5.323	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc(C)cc2)C1=O	2314836573	GYEYMIAYXOLLBB-QGZVFWFLSA-N	422.575	5.170	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321753956	MBVNWGPDYCMKPM-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
CC[C@H](C)N(C(=O)C=Cc1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329788208	SUDAIQASZNUXHJ-IBGZPJMESA-N	423.512	5.615	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332107464	HDTCQEOWMUARMI-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(Cc2ccccc2)N=C1c1ccccc1	2332113497	BAXTWBZCMJLFMZ-UHFFFAOYSA-N	418.496	5.679	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cccc1OC	2332118446	MWVFCAACHAXFCV-UHFFFAOYSA-N	418.415	5.141	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC	2332124264	KKHSRKMMXHCTLI-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460427	GRXHDDHWKZGHIV-OZIGNCPNSA-N	408.929	5.075	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543897	RUOLFMJFAOIJEO-JCYRPKCISA-N	410.517	6.164	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549361	UMMMYUUJAWCKLE-IALVYGIMSA-N	421.540	6.845	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccc(N)cc3)cc2)cc1	66153514	IPTAGQSTMAQKJE-UHFFFAOYSA-N	415.537	5.390	10	10	HKCE	
CC[C@H](Nc1cc(OC)ccc1Br)c1cc(Br)ccc1O	115932705	YEROSHLEFWYPTF-AWEZNQCLSA-N	415.125	5.489	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226670180	OVAMUJKZQMGGBN-DCJDNPIWSA-N	408.545	6.313	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1O	226705281	LIJIROSYVXXDRU-YDIMBITNSA-N	418.537	5.244	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226840048	IRYTUMOSWNZBML-JQYIIUTOSA-N	412.533	5.433	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)c2ccco2)c1)c1ccco1	254746946	NXYCLHVBEWAKOA-UHFFFAOYSA-N	400.394	5.793	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)cc1	526404479	WSRSUIFPCAFXLW-RUZDIDTESA-N	423.468	5.617	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858590397	NXDWRTYXDIVEPF-GXDHUFHOSA-N	401.519	6.121	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1Br	1915458519	SHDPCUZNTRUFMU-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2Br)c(O)c1	2079007252	PLVFHIRXBWKPMC-GOSISDBHSA-N	419.319	5.015	10	10	HKCE	
Cn1cc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	2296820904	MVYKSDWKICSSJV-UHFFFAOYSA-N	419.358	5.891	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCCCC1	2323733044	UEDNDHXUJGTFPX-UHFFFAOYSA-N	410.948	5.562	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113516	DKTRPTPXVDTANJ-UHFFFAOYSA-N	404.897	6.088	10	10	HKCE	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC3CCCCC3)cc2)C1	6782115	AXQHTYWQSRWUEH-FQEVSTJZSA-N	412.577	6.332	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	19892409	UBWFCBDFUHQSOA-TZBSWOFLSA-N	411.501	5.879	10	10	HKCE	
O=C(NCc1ccccc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	20489516	XVIZFMGUILXUQG-UHFFFAOYSA-N	420.556	6.343	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2cc(Br)ccc2Br)c1	37121751	FMHZKQSAJHJWSQ-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53362896	OMQXRSOYUZRBNR-OZXSUGGESA-N	416.521	5.330	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	54619287	RMRKYYOYUKYVEU-HSZRJFAPSA-N	413.477	5.022	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc([N+](=O)[O-])cc3C)c3cccnc3)c(O)c2n1	54621796	WTRAAGCNJGMJQB-OAQYLSRUSA-N	400.438	5.062	10	10	HKCE	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	96936211	FKWCJQVTASGOAA-WOJGMQOQSA-N	403.956	5.761	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C	103785581	OOEQVQDTXPKCQY-UUYOSTAYSA-N	419.912	5.462	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226672159	KAEXFUMMHDOLAT-DXBVXKBHSA-N	423.560	5.856	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226712316	QKPUEGCSEQYURS-MKHKVULQSA-N	424.610	5.713	10	10	HKCE	
CN(C)c1ccc([C@@H]2OC(c3ccccc3)=NC(=S)N2c2ccc(F)cc2)cc1	1088727926	QZOYBJRYJNCPQO-QFIPXVFZSA-N	405.498	5.159	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OCC	1865665210	HITXNTMXUXUMCH-PXLXIMEGSA-N	406.526	5.374	10	10	HKCE	
CCCOc1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872741562	QOJSDOCSHMRMQQ-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2034747178	NNYRBGMTRXLDFL-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@@H](C)O)cc2Br)sc1Br	2202299248	YZOZSCCCDQUCNG-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
COc1ccc2ccccc2c1C=C1SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	2297295846	HJXUGBLHAHQTRA-UHFFFAOYSA-N	422.487	5.162	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(C)C	2297624939	JVBUIKCPRFOLLL-UHFFFAOYSA-N	412.917	5.580	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	2332104868	ZNWGIXABXLSIDI-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CC)cc1OC	2332124344	SHNHDQCKHKDLGK-UHFFFAOYSA-N	406.526	5.851	10	10	HKCE	
O=C(Cc1ccccc1)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O	855592	APNYAIWPQZJKMP-HSZRJFAPSA-N	402.881	5.042	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639072	FBINUTNWXBDZNT-ZWOKBUDYSA-N	411.343	5.414	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461958	BMIDJRUACMOEJU-VBOOUTDYSA-N	418.625	7.318	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	14476428	DYPWOUKXZMWTRH-XMERXJNXSA-N	413.517	6.109	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477769	VIWNLFWXPPOPLO-AXHZCLLHSA-N	422.355	7.399	10	10	HKCE	
Cc1c(C(=O)N[C@@H](C)c2ccccc2)cc(-c2ccccc2)n1-c1ccc2c(c1)OCO2	16531791	UIVLEPUQWAPMEV-SFHVURJKSA-N	424.500	5.672	10	10	HKCE	
CCOc1ccccc1-c1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1	28232463	ONLWSLYZJWFCPO-UHFFFAOYSA-N	410.520	5.163	10	10	HKCE	
Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1CCc1ccc(Cl)cc1	43223897	ZOTJRLPFSWONGM-UHFFFAOYSA-N	407.945	5.059	10	10	HKCE	
Oc1c([C@@H](Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2)ccc2cccnc12	54621553	LTBQLNDSXRPVMH-FQEVSTJZSA-N	413.279	6.588	10	10	HKCE	
O=C1/C(=C\c2ccc(SCc3ccco3)o2)SC(=S)N1Cc1ccccc1	96475617	FGUSWSSGQUCBEP-GZTJUZNOSA-N	413.545	5.566	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21	226744580	KBZVLYRMQROZBR-NZCWTCFWSA-N	424.544	5.575	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(N)cc4)cc3)sc2c1	1860078535	NYOVRUACPVOZLG-OAHLLOKOSA-N	403.507	5.260	10	10	HKCE	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)ccc1O	1865650160	YLLWGMIZELSIPE-JXAWBTAJSA-N	418.880	5.279	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	1865656591	MSKRCJLEXOSCEM-SFQUDFHCSA-N	417.734	5.684	10	10	HKCE	
Cc1cccc(OCc2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)c1C	1872807674	ZHRMPCINGBNJAJ-UHFFFAOYSA-N	414.509	5.077	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1C	1874127481	RWBHLLFUPPWNEM-UHFFFAOYSA-N	404.388	5.254	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C3(Nc4ccccc4)CCCCC3)cccc21	1874180058	XUTJTRMXCYAARP-UHFFFAOYSA-N	424.500	5.216	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(-c2cccc(Cl)c2)cc1	1892054603	JIPLUVUWFJLYCK-UHFFFAOYSA-N	416.911	5.524	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3cc(Br)ccc3O)cc21	2088951706	ZGEZVIGFSFFRJP-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
Cc1ccc(C2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1	2297453372	MLWCAHWUQXBSMW-UHFFFAOYSA-N	414.313	6.623	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C	2313609478	JKLDNSVGHXMYNQ-UHFFFAOYSA-N	419.955	5.542	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=CN3CCCC[C@H]3CC)SC2=S)cc1	2313609801	NMCDDLXSVHWWGJ-MRXNPFEDSA-N	404.601	5.336	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)ccc1O	2321647044	VJKHUZPFCFBYFB-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccnc2)cc1	2332128564	FZJLBPNXINWZEX-UHFFFAOYSA-N	405.457	5.078	10	10	HKCE	
CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1	6878002	XJVQKJGDFGHGMU-IBGZPJMESA-N	416.565	5.629	10	10	HKCE	
O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14004286	HQZGQPWMWLCKDE-AUMJCACJSA-N	420.925	6.282	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467139	GIKXUJZKTOPLLS-AUSJPIAWSA-N	418.320	6.092	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470009	MPPHOJPSOHIDEB-JCYRPKCISA-N	424.544	5.794	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21	14474206	GGZSGQUPAAJAKB-ZYLNGJIFSA-N	410.517	5.191	10	10	HKCE	
CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	15122021	XCYSQFHYFNWYFP-CMBCZCRSSA-N	424.493	5.451	10	10	HKCE	biogenic
COc1ccc(Nc2ccc(N/C(C)=C3/C(=O)N(c4ccccc4)N=C3C)cc2)cc1	17089177	WZPWDQVQHLZAQO-JJIBRWJFSA-N	412.493	5.547	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712672	GBDCQSHPKKZEJO-XFQAVAEZSA-N	404.337	6.235	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589604	AXIZNTMHWJHNBB-MRVDTOTRSA-N	414.365	5.368	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H]4CCCC[C@H]4C)C3=O)n12	1858589950	QLRQWGXMGWJMIM-UTKPERQGSA-N	412.005	5.138	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1	1860086293	WILFYBOSOATATP-HMMYKYKNSA-N	415.555	6.191	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc1OC	1865671238	RYAQDOVHUYCVRK-DEDYPNTBSA-N	412.917	5.329	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679539	RSGJABZCTQMGTP-HZHRSRAPSA-N	400.453	5.206	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2ccncc2)sc(C)c1-c1ccc(C)cc1	1866161256	QHJQKCKKZACYAK-HNNXBMFYSA-N	408.523	5.346	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4cccc5ccccc45)ccc3[nH]2)cc1	1872739083	VANYPSMQUIQRMV-UHFFFAOYSA-N	406.489	5.701	10	10	HKCE	
O=C(CCc1cc(Cl)ccc1Cl)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891190925	KGWZVGWKAQPPGL-JXFKEZNVSA-N	403.353	5.231	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)cc1Br	2034739443	LLCRZKVNHDUKKB-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
Cc1ccc(O)c([C@@H](C)Nc2ccc(Cl)c(I)c2Cl)c1	2150345846	YVKFQTGVGIDSOR-SECBINFHSA-N	422.093	5.785	10	10	HKCE	
Cc1ccc(C)c(OCCn2cc(C=C3SC(=S)N(C)C3=O)c3ccccc32)c1	2297335263	PSHDSLKRESPOCJ-UHFFFAOYSA-N	422.575	5.168	10	10	HKCE	
CCOc1ccc(C2=CC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	2313510522	NTQSFXLRYMEKEI-UHFFFAOYSA-N	403.390	5.235	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332098010	NYTDPSXIMMLFFQ-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)c1	2332119117	FPLWSTJWQPPBRW-UHFFFAOYSA-N	402.416	5.128	10	10	HKCE	
CCOP(=O)(OCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1	5393445	BPXWXTFWTJXBKL-LJQANCHMSA-N	407.407	5.038	10	10	HKCE	
Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@@H]21	6862841	VZRMBMRSPDATGR-IRWWLHRVSA-N	403.111	7.266	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458173	PTQJIRXAIOCYDH-BPYKYCOYSA-N	404.554	5.205	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2	14478758	DVOVSJWJOXWVFW-SLSDLSHTSA-N	424.610	5.632	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CC=C[C@H]32)CC1	14550897	SUZGRBKHFQCPCF-SXWKCWPCSA-N	417.509	5.293	10	10	HKCE	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(N4CCCCC4)c(C)c3)S2)cc1	35253739	IETBNBALSPVLBC-QNGOZBTKSA-N	407.539	5.076	10	10	HKCE	
CCN(CC)c1cc(C)c2cc(NC(=O)/C=C\c3ccccc3OC(C)C)ccc2n1	104365386	VKSDHKNPPHGPQF-QINSGFPZSA-N	417.553	5.829	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1ccc(Br)cc1)c1cc(Br)ccc1O	109931397	DPCZMQOVZVUMIH-MEDUHNTESA-N	413.153	5.719	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2	226832090	OPEFMRNBATXFQU-DGGJZMOXSA-N	407.470	5.112	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)OC(C)(C)C)cc1	383240622	FMXXXJONIGRYLY-GFCCVEGCSA-N	411.329	5.897	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526178782	NLXXOQLQEYFBQM-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	1860084223	QORGZMCNSFQNIP-VXLYETTFSA-N	417.983	6.186	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865650055	SOPUUSLRZYWYFR-UNOMPAQXSA-N	423.299	5.529	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865677634	UYDZFOWYODXTOV-LGMDPLHJSA-N	406.844	5.015	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc(C)c1-c1ccc(C)c(C)c1	1866101589	QGLVMQWZIDRIOW-UHFFFAOYSA-N	422.550	5.445	10	10	HKCE	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1C	1891233867	STZVFJYGZRMIHP-UHFFFAOYSA-N	406.960	5.498	10	10	HKCE	
CC(C)(C)c1nn(Cc2cccc(Br)c2O)c(Cl)c1C(F)(F)F	2079715608	JAAKBLGQPQZHAN-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	2297498551	JWWAMWPDYFLYHI-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	2313517602	KPPXXRMLQPTCAB-UHFFFAOYSA-N	402.972	5.592	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889871	DBHXJOTUDZHHGR-UHFFFAOYSA-N	424.425	5.015	10	10	HKCE	
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782030	ARQSNFGBSPBECS-CPJSRVTESA-N	412.577	6.332	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1O	14457466	GUTXSBQBNRZRON-FHAGJXEFSA-N	418.537	5.099	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457779	YSWIJGVSPKBBHQ-STWLZBDKSA-N	422.594	5.223	10	10	HKCE	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468605	NRZNAJUXFFXALJ-YRVVQQKDSA-N	404.293	5.754	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476427	DYPWOUKXZMWTRH-CUVVAGTFSA-N	413.517	6.109	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21)N1CCCCCC1	20713324	PUWUFPAPGHXULS-STSQHVNTSA-N	417.509	5.438	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226738102	MRWFOLXSNMHZDB-CERRFVOPSA-N	411.545	6.881	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2	226847140	YCAQREFMVHDENP-BUEREQSYSA-N	410.517	5.790	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226848171	GTDULIMGCXUZDM-TZBSWOFLSA-N	418.562	5.353	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	250505084	KLOMCKYIGYKTAZ-YRGRZTQCSA-N	424.544	5.575	10	10	HKCE	
COc1ccc(N2CCCCC2)cc1NC(=O)COc1ccc(Cl)cc1Cl	1858033601	VDDFRVHBSNYTDC-UHFFFAOYSA-N	409.313	5.010	10	10	HKCE	
O=C(COc1ccc(Cl)cc1Cl)N1CCn2c3c(c4ccccc42)CCC[C@H]31	1858183656	SHKPDMWPYAESHC-LJQANCHMSA-N	415.320	5.247	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590738	GWCWXDPNRAAMKX-REZTVBANSA-N	405.972	5.216	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1	1860085172	SKTNRSXEEGEELF-NTUHNPAUSA-N	405.957	5.072	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(/N=N/N2CCN(c3cccc(Cl)c3)CC2)c1	1860483897	OGGRRWDVKQDHQN-WCWDXBQESA-N	403.235	5.833	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2CC)cc1OC	1865671407	ZLYNOICJLZPTHI-CPNJWEJPSA-N	412.917	5.724	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)cc1	1873518589	BNVGXTMWLOLFSZ-UHFFFAOYSA-N	405.545	6.751	10	10	HKCE	
Cc1cccc(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c1O	2079799397	ZESPBXVAWCUMAK-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
O=C(C=Cc1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O	2293571068	LRTXLINAKOAETK-JOCHJYFZSA-N	402.881	5.437	10	10	HKCE	
COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(C)(C)C)cc1	2314769223	VQRXBECRZBDUFT-UHFFFAOYSA-N	413.564	5.061	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	2318756384	KITSSMJAKZJAER-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccccc1C(F)(F)F	2321672112	HQNRPUUCRYSQHJ-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457685	LMQDAWHFIDLPBZ-ZYVVXELTSA-N	408.545	6.691	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458116	OJRUYBBPTKVAIB-OBTVHEKISA-N	414.593	6.310	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458388	PIKZTWIMMQDJBD-WRALFONMSA-N	422.594	5.386	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469632	XBVQSGUNIZXRPB-MCEYFSPLSA-N	412.489	6.309	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549405	AKLLLLDXVQBUGS-MQRABVPWSA-N	419.568	7.998	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749573	ZZHMYGGIJGYHET-VHFRWLAGSA-N	411.545	6.533	10	10	HKCE	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1Cl	33314305	HYWJCHRKAGTMDA-FMNVXAMXSA-N	412.873	5.332	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(F)c(Nc3c(Cl)cccc3Cl)c(F)c(F)c21	90557784	BYQNZZOGYRNJEW-UHFFFAOYSA-N	422.189	5.930	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	226876103	GMOSRYPIVVYIBY-IECBHUPTSA-N	411.461	5.674	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2ccc(NCc3cc(Br)ccc3O)cc2C1	386552801	MIBLXWLOKCKGMP-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(C2CCCCCCC2)C1=O	1858586348	AXPYOVTXTMAZRV-MHWRWJLKSA-N	405.614	5.327	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1	1860085051	IOSGBJWZGCFWPS-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)c1	1860086875	MLMBKLSLELKPRG-MHWRWJLKSA-N	403.550	5.111	10	10	HKCE	
Cc1ccc(OCc2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)cc1C	1872807611	WJVDYKANKHDQLL-UHFFFAOYSA-N	414.509	5.077	10	10	HKCE	
Cc1c(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)sc2ccccc12	2187667075	RGSVRIHROWWYQH-UHFFFAOYSA-N	402.541	5.829	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)c1	2293104077	FCBVPFOHMOLRIT-UHFFFAOYSA-N	421.499	5.359	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2C)SC1=S	2293163903	NKPFODQTAMPIAH-UHFFFAOYSA-N	404.560	5.808	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(OC(=O)c2ccccc2Cl)c1	2297364323	JQEYHLYRDIUMKS-UHFFFAOYSA-N	416.864	5.365	10	10	HKCE	
C[C@H](COc1ccccc1)Cn1cc(C=C2SC(=S)N(C)C2=O)c2ccccc21	2297499305	QDAQXLCPSKNFBO-INIZCTEOSA-N	422.575	5.187	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(F)c1	2297578626	OUURHHWASXXMIJ-UHFFFAOYSA-N	420.871	5.864	10	10	HKCE	
CCOC(=O)C1=CSC(=C2C(=S)C(C)(C)Nc3ccc(OCC)cc32)S1	2313626270	NJMWLYOBQYXMSA-UHFFFAOYSA-N	407.582	5.212	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)CC1	2321683279	FWJFKWSRFVUELG-UHFFFAOYSA-N	412.555	5.468	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	6548412	OATPWHYBWFRJDD-ZJNRKIDTSA-N	407.682	5.771	10	10	HKCE	
O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	10910011	AIBUVKRIXLFDOK-MHZLTWQESA-N	406.485	5.475	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14544163	UVBLWEFQRJIXOF-WLENULPWSA-N	406.323	6.437	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	14552349	WGJKBYZGIBZPPK-UMFSSWHCSA-N	410.517	6.082	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	16448293	OTACQGMJJDPBBO-VEVIJQCQSA-N	420.734	5.946	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1	59382176	AFKWIDUEPOECLH-DHDCSXOGSA-N	409.363	5.573	10	10	HKCE	
CCCCCCc1ccc2c(c1O)C(=O)c1c(ccc(CCCCCC)c1O)C2=O	206979962	GMHBWYDOTXLNFY-UHFFFAOYSA-N	408.538	6.119	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226730128	BKUDZDQAJLFLRS-XFQAVAEZSA-N	400.862	5.100	10	10	HKCE	
C[C@H](NCc1c(O)cccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1	706809579	FPNQOLFTTFYKOV-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccc(O)cc1	1858588313	YJWCPIMSWXBCDF-CXUHLZMHSA-N	410.347	5.143	10	10	HKCE	
CCCNCc1ccc(N(CCC(C)(C)O)Cc2ccccc2)c(Br)c1	1915785975	MFSWZMNDIZNKLQ-UHFFFAOYSA-N	419.407	5.116	10	10	HKCE	
CCN[C@@H](CC)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	1946823425	ZWRNDFCLCUIBQC-NDEPHWFRSA-N	415.625	5.886	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@H]2O)Cc1ccccc1	1986600610	OFWQNRDCHLYXBB-HHHXNRCGSA-N	400.566	5.195	10	10	HKCE	
O=C(C(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)c1ccnc(Cl)c1	2059918586	LMKATSNHHRQDAY-UHFFFAOYSA-N	401.849	5.533	10	10	HKCE	
CCOc1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3)SC2=S)cc1	2313501877	LSFUKGXEVJSUOC-UHFFFAOYSA-N	404.944	5.010	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccccc1	2320742612	CDFYXOHALCXZKZ-UHFFFAOYSA-N	422.462	5.070	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC	2323790809	LVBWAVBMXQYOHA-GDBMZVCRSA-N	405.585	5.264	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc(Cl)cc1	2323840470	HAPXBSDMRBVHJD-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
Cc1cc(C)c(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1	2330156294	FKMYMAWDDPNKGA-UHFFFAOYSA-N	418.972	6.363	10	10	HKCE	
COc1ccc(OC)c(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	2330209421	BWNNOBOPVSPRRP-UHFFFAOYSA-N	416.525	5.110	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2CC)c1	2332119147	IMGULERLKQEAEA-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
Cc1ccc(CN(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(O)c1Br	2352647544	DXZVQPCHUWEVBN-NQIIRXRSSA-N	418.375	5.279	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\CCc3cnn(-c4nc5ccccc5s4)c32)cc1	6910455	ALTDELLJAUVAER-OBGWFSINSA-N	400.551	5.815	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456897	LXIYAHJBXQKDQW-MZLICYQSSA-N	400.547	6.160	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463596	UDZAJXPAWKIMIR-CLCZQPDDSA-N	408.545	6.889	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466803	FADPLTDBAOGZEB-UMEGOILYSA-N	414.936	6.443	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468997	VNCTVFALNFKNOZ-GLDPYIMESA-N	407.510	5.482	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477788	HNJYFGLXAPLNQD-AVYPCKFXSA-N	417.336	5.196	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549324	FGUQIAYQUVLUQJ-DIIXFEDBSA-N	419.568	7.998	10	10	HKCE	
Cc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1	15011442	VRIFQXWFSMSRAV-NDENLUEZSA-N	424.978	6.153	10	10	HKCE	
COc1cccc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	16926459	XPWVLGGHEYAUFT-SDXDJHTJSA-N	421.584	5.102	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2ccccc2C(F)(F)F)C1=O	59397151	RQQQSGALTAQLGL-CMHHUMAZSA-N	400.491	5.176	10	10	HKCE	
Cc1cc(Br)c(NCc2c(O)cccc2Cl)c(Br)c1	127246125	MJHCYWJFAOESGC-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226898988	XAEGNUSYYHQMKQ-NOTUOJBMSA-N	405.497	6.606	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)c1	526169758	WQQAHWOLFDILOO-XMMPIXPASA-N	424.456	5.012	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1	526248527	RNTABLJKIHMMDK-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccccc2)c1CNc1ccccc1	606655198	OLDHNABPYVORAS-UHFFFAOYSA-N	424.544	6.496	10	10	HKCE	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Nc2cc(Cl)ccc2O)cc1	1084017488	UIQCFVIVKQRSJQ-UHFFFAOYSA-N	415.902	5.282	10	10	HKCE	
CCCCN(CCCC)c1ccc(/N=N/c2ccc(S(=O)(=O)CC)cc2)cc1	1615945852	WEDPONCXNFZMGB-WCWDXBQESA-N	401.576	6.302	10	10	HKCE	
Cc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1C	1859041956	VPYXPCIEQHXWHX-UHFFFAOYSA-N	415.537	5.193	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC	1860084917	XZSDZIBVYUAEMV-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	1860085984	BIHORGFOIFODHC-LICLKQGHSA-N	418.381	5.726	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)c(O)c1	1865664238	HJWZKJLCZDGLMT-NTEUORMPSA-N	405.281	5.294	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3Sc3ccccc3)c2C)cc1	1874164136	XTZABUTWUZQTMS-UHFFFAOYSA-N	412.558	6.806	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)c(Br)c1F	1915364682	MGTDPIABOZHGMF-AWEZNQCLSA-N	419.363	5.876	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915451135	QLYYJFAFYBGAAA-MAUKXSAKSA-N	404.348	5.077	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1	2053487585	UYCZWLZXXABFBN-UHFFFAOYSA-N	404.473	5.345	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080000642	XRCRETZVZLCOQH-GOSISDBHSA-N	402.922	5.087	10	10	HKCE	
CN(C)c1ccc(CNc2ccc(Cl)c(I)c2Cl)cc1	2150345200	DODNGFMDGHBCSQ-UHFFFAOYSA-N	421.109	5.276	10	10	HKCE	
Cc1cc(N2CCCC2)ccc1C=C1SC(=O)N(Cc2ccc(Cl)cc2)C1=O	2293983767	VZTFCSSENSQTJK-UHFFFAOYSA-N	412.942	5.485	10	10	HKCE	
O=C(O)c1ccccc1-c1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)o1	2297303340	PNERZDHCXUYCAR-UHFFFAOYSA-N	421.499	5.046	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1	2297468064	FTDVHSLPSSTPAK-UHFFFAOYSA-N	419.554	5.212	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332099624	MRDLCCGJGSHVAZ-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@H](C)C2	2909593	HPRWYMJDBYYZGP-HNNXBMFYSA-N	424.566	6.037	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461504	BKGJQTGSZSDCIN-RQTOMXEWSA-N	404.554	5.926	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462146	GOZRBABEZGTATK-WRALFONMSA-N	406.570	5.775	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467999	APSFNPYPWDBLJJ-LRAJWGHMSA-N	417.336	6.264	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(NC(=O)C(C)C)cc2[C@@H]2C=CC[C@H]21	14544472	YQMCBZDYJQJYFP-IPVFLDMMSA-N	412.533	6.269	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	59462429	DHHPXZADNWDBKI-RWQQGDIJSA-N	402.925	5.745	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1	226793559	ULXFEKTWXZMBAK-PQNGQFLHSA-N	408.567	5.078	10	10	HKCE	
O=C(OCc1ccccc1)N(Cc1c(O)ccc2ccccc12)c1ccccc1Cl	616217998	NOVLTCQWDKCBPI-UHFFFAOYSA-N	417.892	6.542	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	1860085829	MCFRRXLANAEVFC-VGOFMYFVSA-N	405.957	5.072	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865658423	HWIBJYNDKYRKNO-KQWNVCNZSA-N	414.936	6.472	10	10	HKCE	
COC(=O)c1c(NC(=O)CC(=O)c2ccccc2)sc(C)c1-c1ccc(C)cc1	1865865757	KJLQNNAJKNTEKU-UHFFFAOYSA-N	407.491	5.030	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc(C)c1-c1ccccc1	1865976907	HSMDZEZGBPRGKM-UHFFFAOYSA-N	415.514	5.845	10	10	HKCE	
COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc(C)c1-c1ccc(C)c(C)c1	1866051298	NUKSEVBVFKXHFO-UHFFFAOYSA-N	414.552	5.453	10	10	HKCE	
Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2Br)c(O)c1	2079027142	OUYHVIPUFFHADZ-KRWDZBQOSA-N	405.336	5.159	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025417	PKJHIBZXIJAPFA-QGZVFWFLSA-N	405.336	5.077	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080032426	DHMCRZIELUNSIC-HNNXBMFYSA-N	416.827	5.054	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2231454923	YXTSTSMSDLLXJJ-SFHVURJKSA-N	419.407	5.380	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332104189	QLZOQIUDHKHGDW-UHFFFAOYSA-N	400.909	6.298	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641891	YRKUFZZWXPURSB-YTZAWJCFSA-N	422.525	5.278	10	10	HKCE	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14471594	XUEBTWSKQGHHBN-HDMKZQKVSA-N	418.234	5.026	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703214	CUGCSBMTGUAMIL-TVZXLZGTSA-N	413.517	6.109	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1OC	20715646	VPVGPFHQLWJVOW-OZAHESQGSA-N	407.510	5.088	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753405	JYWMOCDGJLOWRZ-SWYRRKHMSA-N	408.457	6.433	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	210501373	YUHMUZSMIZUGNB-YHJGWEFDSA-N	417.596	5.649	10	10	HKCE	
CCCCN(C)c1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	256018098	PTUVFNDSEZSWTB-UHFFFAOYSA-N	405.462	5.780	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1N=Nc1cc(Cl)c(Cl)cc1Cl	1084443073	QTYSLQHSRSXBJR-UHFFFAOYSA-N	414.901	7.184	10	10	HKCE	
Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	1554557555	KGDHANHWRSZPPW-HZHRSRAPSA-N	423.541	6.055	10	10	HKCE	
CCCCC[C@H](CC)n1ccc(=O)c(OCCCOc2ccc(N)cc2)c1CC	1857913654	SRCHDJFNCYLUJP-FQEVSTJZSA-N	400.563	5.372	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)ccc1O	1860073456	HKCFYLBUPAMXFV-LICLKQGHSA-N	405.928	5.159	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860085700	VAXRLQMGMRRVQT-SFQUDFHCSA-N	423.481	5.900	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1	1865656409	JBFZILVZSPOOPK-GZTJUZNOSA-N	402.325	5.251	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)cc1	1866045590	JCQASISIXFLGRR-UHFFFAOYSA-N	423.472	5.566	10	10	HKCE	
CN[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1	1999540289	OQDLHAMGOCSTJB-XMMPIXPASA-N	423.601	5.375	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2034821883	INMYWAMMLQNBIV-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CCn1c2ccccc2c2cc(C=C3SC(=S)N(CCCOC)C3=O)ccc21	2040483739	HAHFWGYPMHPVLA-UHFFFAOYSA-N	410.564	5.052	10	10	HKCE	
Cc1cccc(Cn2nc(C3CCC3)c(C3CCC3)c2I)c1O	2079702316	PFNULFUMGFMFNV-UHFFFAOYSA-N	422.310	5.085	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(NC(=O)OC(C)(C)C)cc2)c1O	2227747516	BFDFAQXKRLWCFS-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2297289472	ZIVFQGDXVIXGHL-UHFFFAOYSA-N	411.495	5.833	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)o1	2313548747	DTFVAMGYVWYWCW-UHFFFAOYSA-N	415.449	5.532	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1c1ccccc1F	2321606852	ZMUSEBURMCVUHC-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2332103903	GIVPGLJRLWJIKC-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332104693	HYILHALODBTBPA-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1sccc1C)[C@H]1CC=C[C@H]21)c1ccccc1	14456161	OGPNGOSWNYBSPE-IZIIKQMZSA-N	414.574	6.550	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457423	AHPCWKIFWBRVFW-BERHBOFZSA-N	419.565	6.577	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457837	CEKVMWCQEPDYNA-WHCXKFMVSA-N	414.593	6.501	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477202	XMVQNDKFYYASCP-WJONJSRFSA-N	404.337	6.235	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477791	HNJYFGLXAPLNQD-BXTJHSDWSA-N	417.336	5.196	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363299	JJSCIXJUHWUNBI-JYFHCDHNSA-N	416.521	5.330	10	10	HKCE	
COc1cc(N2N=C(C)/C(=C\Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl	103646433	WSEFPDLXJXHBJD-UKTHLTGXSA-N	410.688	5.374	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1	226802858	VNKZKGRPJUIEQV-DPLHUUCSSA-N	402.538	5.584	10	10	HKCE	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1N=Nc1c(C)cc(C)cc1C	252616705	KDZVRELIPGFOLP-HXUWFJFHSA-N	403.511	5.610	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(C)CCOCc2ccccc2)cc1Br	384015161	NVUPTPMTVQKOAS-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1	526208720	IZHWEHDHGUHJJL-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526444966	AXGDCGCRCLQXEH-QFIPXVFZSA-N	420.534	5.188	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858588212	VGCWWICOJATJSN-DORZRAPPSA-N	422.413	5.475	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cc(Cl)ccc4C)C3=O)c2c1	1860075115	IMYFSSJZXBUFLV-CNHKJKLMSA-N	414.939	5.544	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCCc2ccccc2)c(OC)c1	1865667397	UVYWGBLKGYSTLJ-CJLVFECKSA-N	420.553	5.354	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)cc1	1865670352	VVVBWRKXEUSQTK-NMWGTECJSA-N	411.505	5.485	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671947	IIVZLZIPLAPOEU-XSFVSMFZSA-N	408.498	5.077	10	10	HKCE	
CCCCN1C(=O)C(=C2SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21	2313621388	IWPNSOLOZISVDR-UHFFFAOYSA-N	422.575	5.226	10	10	HKCE	
CCCCCCN1C(=O)C(=CC2=Cc3cccc(OC)c3O[C@H]2C)SC1=S	2314450663	KFCZUUNJOIWNEF-AWEZNQCLSA-N	403.569	5.184	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321585767	GCFVOIFVLDVMCE-UHFFFAOYSA-N	424.330	5.026	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321586503	IPIILAVZOMVISI-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
COc1cc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1	2330246381	XWLZZTZQJOEEQL-UHFFFAOYSA-N	416.525	5.110	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccccc2F)cc1	2332096585	WZHIEDPJDNARIX-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	2332143018	AXVXIIHRTZHNSU-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
COc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332148283	NKMCAIKJEFTSFP-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Cc1ccc(CN(C)Cc2csc(C)c2Br)c(O)c1Br	2381128523	VWHGGZSVRFXMBM-UHFFFAOYSA-N	419.182	5.228	10	10	HKCE	
Cc1ccc(CNc2cc(Br)c(Cl)cc2F)c(O)c1Br	2381128638	XJFYXTIUMRGVHK-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456046	WUKYEEQBHZUYEX-YZUZCNPQSA-N	403.547	6.341	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462097	XZWGDOWADXNFHI-ZEVJAHDQSA-N	406.570	5.775	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@H]2CC=C[C@H]32)cc1	14478830	YVXFIZXLGVMSSB-JCYRPKCISA-N	424.544	6.473	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550369	CAJJNNJSUNCPRK-JCYRPKCISA-N	424.544	5.794	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S	33306124	TZIYAHIENPGATD-SRZZPIQSSA-N	424.566	5.686	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O	33334973	MTLCPBWFZQXXBU-FZDVSRPBSA-N	422.575	5.090	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(O)c1)N2	226663479	NJINPETZHITLOY-DOQJBMMISA-N	412.917	5.619	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OC	1858590169	ADGLVFJBOAEQTG-SFQUDFHCSA-N	407.601	5.510	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865664658	IUECKCSUSSGPLM-ZHZULCJRSA-N	407.300	5.824	10	10	HKCE	
Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1	1892129255	FLHFUSFBWNMJBY-UHFFFAOYSA-N	422.531	5.712	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(CO)c2Br)cc1C	2079993672	VNTPZNFAUDNPFF-HXUWFJFHSA-N	419.363	5.117	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@@H](C)O)c(Br)c2)s1	2237720810	NQLZETGDQZMDDV-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)SC(=S)N1C1CCCCC1	2296663372	GMSJQYJYYCTULF-UHFFFAOYSA-N	403.956	6.134	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1	2323790124	LHAQEXTYWFZVKD-UHFFFAOYSA-N	402.629	5.320	10	10	HKCE	
CCOCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1	6782104	SFQHDALVGDCXSC-HXUWFJFHSA-N	416.565	5.426	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477226	QMFONGLCDORXKD-PDSXEYIOSA-N	404.337	6.235	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21)N1CCCCCC1	14478170	PUWUFPAPGHXULS-YZZKKUAISA-N	417.509	5.438	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14552147	ARDMILDOTRNXGM-NLJOTIRTSA-N	413.586	6.857	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	19888467	SMVBVCZQWZJDHO-RNHFSVANSA-N	416.351	8.126	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)c(Cl)c1	20243547	QLBZQAYJSMLLPR-VHCOLVSPSA-N	419.566	7.780	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20696744	BOQKFCAMASWICW-SKVJQKLOSA-N	409.577	7.103	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	20752297	GSYLJCFFZDPYMY-IPVFLDMMSA-N	410.517	5.608	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2csc(Br)c2)c(Br)c1	110360468	QUQWQXDJNRNWOA-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(O)c1)N2	226686760	IKBYAISAGSMLST-OHUGHZGNSA-N	420.553	5.490	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)c1	526169757	WQQAHWOLFDILOO-DEOSSOPVSA-N	424.456	5.012	10	10	HKCE	
Oc1ccc(-c2ccccc2)cc1N=Nc1ccc(I)cc1	1084139673	HGTKGGTUNICYBY-UHFFFAOYSA-N	400.219	6.079	10	10	HKCE	
Cc1ccccc1NCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1084159338	RCEQTNCRIIETJE-OQLLNIDSSA-N	409.363	5.573	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccccc1Cl	1860076591	NFTPDLIQXHKFBO-MDWZMJQESA-N	400.739	6.053	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)c1	1865670123	JUPZESRNBQWMRO-UNOMPAQXSA-N	402.416	5.046	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C)c2O)sc(C)c1-c1ccc(C)c(C)c1	1865962038	HFBACAFDUFVEMT-UHFFFAOYSA-N	409.507	5.393	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(Cc4ccccc4Cl)[nH]c3c2)c1	1872807564	UBTCMTPKJWWZPF-UHFFFAOYSA-N	404.901	5.125	10	10	HKCE	
CC(C)NCc1ccc(N(CCC(C)(C)O)Cc2ccccc2)c(Br)c1	1915786340	QKVCQTOESGCUOX-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
COC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Br	2079956418	KCAJYGVGTWVWRA-GOSISDBHSA-N	423.351	5.123	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1	2293142373	HZJCQTNFEBYEGX-UHFFFAOYSA-N	412.902	5.409	10	10	HKCE	
CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1	2296754026	SLPAIKVYOBQNBI-UHFFFAOYSA-N	401.897	5.276	10	10	HKCE	
CCCN(CCC)c1ccc(C=C2N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1	2297451080	BZWVIQYEHBFEQL-UHFFFAOYSA-N	418.871	5.589	10	10	HKCE	
CC(=C1SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)c1ccc(Cl)cc1	2314539635	XNLASEMKBWTFKV-UHFFFAOYSA-N	403.912	5.143	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccccc3F)SC2=S)ccc1Br	2321744031	FJNVFTVLSZFFHD-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	2332127965	BDEHWUPLDXTMSE-UHFFFAOYSA-N	403.791	5.165	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129757	KNPHKAZHZVHTKP-UHFFFAOYSA-N	401.279	5.483	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=S	6847456	NKPFODQTAMPIAH-KGENOOAVSA-N	404.560	5.808	10	10	HKCE	
O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	13953491	FWGOZGBUAPQTBF-PKNBQFBNSA-N	422.267	5.421	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477703	VCAJWODFRMOANX-YZZKKUAISA-N	402.365	7.245	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543515	MREHLOVIHPELOE-OARDWFSCSA-N	411.545	6.533	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544361	SZPKUOCVJFGKJQ-LZCXECNNSA-N	401.506	5.700	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	14548299	GSYLJCFFZDPYMY-ISJBWFOZSA-N	410.517	5.608	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1	14551275	ULXFEKTWXZMBAK-YZUZCNPQSA-N	408.567	5.078	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	54619814	XDHHVHASJQXQQD-JOCHJYFZSA-N	416.452	5.458	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374324	HCYIVZMKLCIMFT-XXAUWVGASA-N	406.485	7.036	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C)C1=O	210691136	UGZAECCLJFUFLI-NVVUQHMZSA-N	422.575	5.171	10	10	HKCE	
COc1ccccc1/C=C\C(=O)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084057167	NPESTFOXCZXAEV-IRCCAMOTSA-N	416.506	5.637	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1084272691	MEIHFTWOUFKLEV-AWEZNQCLSA-N	414.292	6.815	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)o1	1084400632	FCOUXUNINIKZGR-FYJGNVAPSA-N	419.412	5.362	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)ccc1OC	1858590275	HAGHFPYGJPXQTF-SFQUDFHCSA-N	407.601	5.510	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1cc(Cl)ccc1Cl	1860085086	LZSPJWHUEGGDKN-IZZDOVSWSA-N	417.320	5.369	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)ccc1OC(C)C	1865672142	NDBBLUZDUZPYHH-BOPFTXTBSA-N	418.415	5.139	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678534	QYANZPQHSBTOBA-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
CC(C)Oc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1	1872741105	GLHZNTDMYJYCLK-UHFFFAOYSA-N	414.509	5.335	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915451454	UVHULLMOPVFSJT-QAPCUYQASA-N	404.348	5.077	10	10	HKCE	
CC[C@H](C)N1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O	2294010755	INKPDLDYDWBQDB-JTQLQIEISA-N	405.859	5.133	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1CCc1ccccc1	2297560909	IMGWGSZOAFPPDB-UHFFFAOYSA-N	410.347	5.143	10	10	HKCE	
CC(C)CN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	2314432937	IAOCABCBWZPJLS-OAQYLSRUSA-N	407.560	5.604	10	10	HKCE	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S	2847849	VSTSJTPBJSBYNE-HKWRFOASSA-N	413.564	5.064	10	10	HKCE	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2	4689660	MKOFQTBORATOJG-PSVSLLHZSA-N	404.691	5.627	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460862	KUKFQILELUVBII-QUJCMNEKSA-N	401.260	5.198	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467630	ZGZPEUFMBNEJBK-VWKPWSFCSA-N	404.337	6.704	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477238	PDEJQYFIHQBOFG-PDSXEYIOSA-N	415.364	6.350	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545863	TUAQFTKLOTUKFR-ISJBWFOZSA-N	410.517	6.164	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)c1	14553579	OCTGVUZWDHKZAW-SLSDLSHTSA-N	414.936	6.727	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698249	OWKMCOWIFZTAGU-GEBXHLAXSA-N	423.600	7.648	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363624	NUJKTDOUNFWJSY-OFNKIYASSA-N	410.876	5.416	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S	206716644	OVAYMNFBJUFQOG-JXAWBTAJSA-N	405.585	5.135	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1	226668305	JYKQUFQCEQAVGT-JQYIIUTOSA-N	415.581	5.451	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	226832606	NUTSASCGJZGAEB-GOHWNWGWSA-N	412.489	6.309	10	10	HKCE	
C[C@@H]1CCCCN1c1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	256018016	DOCXVVIXWTWDNA-MRXNPFEDSA-N	417.473	5.923	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526151266	OLBAFSOXWUFOMI-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
Nc1c(C(=O)O)cc2ccccc2c1N=Nc1ccc(-c2nc3ccccc3o2)cc1	575179037	SZZHKVSCQLPWNW-UHFFFAOYSA-N	408.417	6.344	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC	1860076471	BHAIXDCCNWDSBR-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665478	VVIDROHMASKGBP-PXLXIMEGSA-N	420.553	5.683	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)/C1=C/c1cccc(OC)c1OCc1cccc(C)c1	1865676624	HJFXCMZNZXNWCC-KGENOOAVSA-N	406.526	5.230	10	10	HKCE	
[N-]=[N+]=NC[C@H]1CCCCN(Cc2cccc(Br)c2Br)C1	1912198750	KJIIBACVBCGHDQ-LLVKDONJSA-N	402.134	5.124	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915365674	AUGZVLQHJXDVDM-OAHLLOKOSA-N	401.373	5.737	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2034818902	ASGYFGMZMGMOKV-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(N)c2Br)C(C)(C)C)cc1C	2080051700	CNHJNELHTPDNEB-CQSZACIVSA-N	420.273	5.205	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2095948571	CJBWQOLGKMJIAY-ZWKOTPCHSA-N	417.435	6.561	10	10	HKCE	
C[C@@H](N(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br)C(C)(C)C	2095950533	CRRSYRAQCKRNCX-QGZVFWFLSA-N	415.419	6.142	10	10	HKCE	
Oc1cc(Br)ccc1CNc1cc(Br)c(Cl)cc1F	2112642465	ANZWEWSJEMLVFH-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CN(C)c1ccc([C@H](O)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)cc1	2163075695	HDXSXNAGYVKFJP-SFHVURJKSA-N	411.329	5.488	10	10	HKCE	
CCCN(CCC)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21	2297464344	IXNILRJKOCDOAS-UHFFFAOYSA-N	414.553	5.527	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2323844197	IKCVQBDINKKMNB-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cccc(Br)c1	2332098047	RSQFVXHTTFEIGV-UHFFFAOYSA-N	419.322	6.189	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332104062	JMGWDIMQLGTBQO-UHFFFAOYSA-N	414.936	6.294	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c2ccccc21	2332128819	GYSGTAPQTVGAEJ-UHFFFAOYSA-N	411.892	5.666	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140313	VBPMWZDWXRMHEX-UHFFFAOYSA-N	422.459	5.822	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(O)cc2)[C@H]2CC=C[C@H]32)cc1C	13637577	OMDUBRZPWRARLR-WRALFONMSA-N	410.517	6.088	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480677	MRKCZNKOMAEUEK-HWBMXIPRSA-N	416.565	5.974	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1OC)[C@H]1CC=C[C@@H]21)c1ccccc1	20749683	STFPEVZTZOKRTB-SWYRRKHMSA-N	424.544	6.188	10	10	HKCE	
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c([N+](=O)[O-])c1	96475557	RGRRMOSGCYLDJB-MOSHPQCFSA-N	417.421	5.060	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226714107	UDZAJXPAWKIMIR-DXBVXKBHSA-N	408.545	6.889	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1cccc(C(F)(F)F)c1	1081103572	HJQCEJXBRPMREJ-OVCLIPMQSA-N	412.433	5.115	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	1865668116	HBXWCVTVINMBKD-XHPQRKPJSA-N	424.544	6.004	10	10	HKCE	
CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1865674241	VEZSYUHHAWGGQI-XDHOZWIPSA-N	417.336	5.974	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	1865678115	UUXSNZBIBMNJHU-QGOAFFKASA-N	401.422	5.040	10	10	HKCE	
O=C(C[C@H]1CCCC[C@H]1c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866152278	SHXSTPNZKKNAPW-UXHICEINSA-N	423.512	5.765	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(Br)c1	1914857401	NEUCQXQXXFKWAQ-HZPDHXFCSA-N	416.384	6.332	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1cc(Br)ccc1O	2138996690	DJAHCJJDOOGMQS-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2231465955	TYALLZWPGGVLRX-GOSISDBHSA-N	417.435	6.390	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC3CCCCCC3)C2=O)cc1	2313682714	JDLSOAXBSCCJEN-UHFFFAOYSA-N	403.526	5.033	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)c(F)c1	2321745643	XWWYOHAEGHSFOC-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)cc1OCC	2332113863	REFYHIKVWDXSAV-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635384	CETOZJMDAAEUML-YZUZCNPQSA-N	402.538	5.584	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O	14459992	DANDAOMCKVKZLX-WOVHNISZSA-N	419.565	6.577	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	14467078	QXCVRUAVKUWNMQ-DINDLPBHSA-N	401.120	6.832	10	10	HKCE	
COc1cc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468603	NRZNAJUXFFXALJ-PJSUUKDQSA-N	404.293	5.754	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476413	QXMSPRFFVAPSOQ-LZCXECNNSA-N	412.489	6.309	10	10	HKCE	
COc1cc(Cl)cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1OC	15016197	AJWGMJOUWQPKBM-SXGWCWSVSA-N	423.321	5.117	10	10	HKCE	
Cc1c(C(=O)N[C@H](C)c2ccccc2)cc(-c2ccccc2)n1-c1ccc2c(c1)OCO2	16531790	UIVLEPUQWAPMEV-GOSISDBHSA-N	424.500	5.672	10	10	HKCE	
CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1	33424279	ONFDZFLSVHVSJR-OUDZLSHESA-N	412.902	5.409	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(F)cc1Cl	71815299	DPXFMRQIAWRDEL-HSZRJFAPSA-N	405.856	5.857	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226722145	KLOMCKYIGYKTAZ-UPKPZSFOSA-N	424.544	5.575	10	10	HKCE	
CC(C)(C)OC(=O)NC1(CNCc2cc(Cl)cc(Cl)c2O)CCCCC1	697050691	FXEWJODLYWPXME-UHFFFAOYSA-N	403.350	5.016	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccccc1F	1084363993	YDTIBQNXMVNLGE-ZSOIEALJSA-N	413.326	5.403	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	1860073632	ZWCSAPJHBRAHHD-RQZCQDPDSA-N	407.919	5.672	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cc1	1860084346	UEXOENQGGLLLTN-XSFVSMFZSA-N	410.608	5.551	10	10	HKCE	
Cc1cccc(N2CCN(/N=N/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1	1860481040	WZUOUNSPIDZFGF-CYYJNZCTSA-N	416.369	5.854	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)c1	1865658562	LKUIOAAYMRLMKP-MOSHPQCFSA-N	414.471	5.945	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)cc1	1865669176	GAQOSHRYSRPGFC-GZTJUZNOSA-N	403.309	5.584	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865669904	XZZRJFBSCOUYIA-PDGQHHTCSA-N	422.834	5.473	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(N)c2Br)cc1C	2080000509	VKLAFXZUCUOGNH-LJQANCHMSA-N	404.352	5.207	10	10	HKCE	
CCCN[C@H](c1ccc(N2CCCCC2)cc1)[C@H](C)NC(=O)OCc1ccccc1	2163148830	BOLZARWLAURTBA-RDPSFJRHSA-N	409.574	5.033	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C4CCCCC4)C(=S)N3C)c2C)cc1	2297316661	NOGZJHUXXFLFJP-UHFFFAOYSA-N	407.583	5.135	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2297561335	YPCGNLUYGHEJDC-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
Cc1ccc(-c2nc3cc(C)ccn3c2C=CC(=O)N2CCCc3ccccc32)cc1	2320764956	LBWLGGZDHLGJAC-UHFFFAOYSA-N	407.517	5.611	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332122296	OBQIXBYMAUNWHU-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
COc1ccc(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)cc1	2909653	LQFAJGPLTGRWRJ-UHFFFAOYSA-N	412.580	5.952	10	10	HKCE	
O=C(Cc1cccc2ccccc12)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	3071285	YONLWPPEUURKQR-LJAQVGFWSA-N	417.508	6.147	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2Cl)N3)CC1	14466654	UTGCFBIVQZOIFW-XLNZFTOWSA-N	406.957	6.039	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545064	HTIPGDOOJFLIFM-TWLCBMPQSA-N	412.577	7.344	10	10	HKCE	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C)C1=O)=C\c1ccccc1	15037337	UGZAECCLJFUFLI-GEZYKDBCSA-N	422.575	5.171	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1O	20693480	VXTSSIMMENZDSL-LOYIFYEOSA-N	419.565	6.577	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1	59859603	UGRLESHFGHQQAA-PGMHBOJBSA-N	419.525	5.437	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	101431354	HRFUIPSMDKAWJO-RKROAXLDSA-N	423.472	5.793	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C)c1)N2)c1ccccc1	226860891	AHXUKPQVCNLJMQ-ONBPZOJHSA-N	408.545	6.488	10	10	HKCE	
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084136637	YCOTWDGYDVNNCY-UHFFFAOYSA-N	400.482	6.339	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1	1860084347	UGADXYRTQPAJJW-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669101	BOUCFRFUJQBMSF-BUVRLJJBSA-N	416.908	6.034	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1F	1865673365	AIWLWTVSBDNXJJ-LFIBNONCSA-N	419.269	5.309	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673576	MMDCCNMSJIODGK-XNTDXEJSSA-N	407.670	5.438	10	10	HKCE	
CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1	1891235996	LYUYKVZBECPLIK-UHFFFAOYSA-N	408.495	5.187	10	10	HKCE	
CC[C@@H](Nc1cnc(C)c(Br)c1)c1cc(Br)ccc1O	2148881740	UNLPQPMREBLFOT-CQSZACIVSA-N	400.114	5.184	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629369	PWGDTQYOUVYWRI-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321644011	RYQKNJPRDLBRPO-UHFFFAOYSA-N	414.508	5.096	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(C)N=C2C)ccc1OCc1c(Cl)cccc1Cl	2332133458	PSBMNIXYPIDNSU-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
Cc1ccc(CNCc2sc(Br)c(C)c2C)c(O)c1Br	2380808470	KJSPCSDWCZQDBY-UHFFFAOYSA-N	419.182	5.194	10	10	HKCE	
CC(=C/c1cc(Cl)ccc1O)/C=C1\SC(=S)N(Cc2ccccc2)C1=O	1155765	BXWTZAIDGCXROD-MVZMPPLNSA-N	401.940	5.393	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	2289755	VUOUYJYRMRAHGD-HLXADAOKSA-N	416.365	5.801	10	10	HKCE	
CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)NC3CCCC3)c2)c1C	2928803	MFTDBJFBBPOLGK-UHFFFAOYSA-N	416.521	5.302	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O	14460136	BTTJUSQJPKLQPJ-JXQFQVJHSA-N	412.489	5.480	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460362	CFULCRHVMYOVCX-JTAQYXEDSA-N	406.957	6.229	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462654	ZFIFPFVCBFKAHA-JCYRPKCISA-N	408.545	6.889	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477265	KMFNOGLLGAZPJC-FENNVDPPSA-N	416.348	6.378	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	14545306	SQVJXVXUAYDOMJ-MDOVXXIYSA-N	417.290	5.516	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	26779823	TWSAWMFWGIVGAX-GRALHKOYSA-N	406.359	6.346	10	10	HKCE	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	111441029	QOEIODXPCHCUMV-ONBPZOJHSA-N	415.964	7.362	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c(O)c1	226780010	PLAPINMFXAVWHP-YZIHRLCOSA-N	405.538	6.274	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	226790258	BZUHJNLFSSZZLY-VWKPWSFCSA-N	411.889	5.813	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	226886796	BXOAHSOVSPWXLQ-GDEXEMPNSA-N	406.526	5.059	10	10	HKCE	
Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc2ccccc12	263631831	YUHNLTKUUVYQKW-UHFFFAOYSA-N	421.525	5.018	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1Br	384142045	ZOLNFXUTHRTNPQ-IEBWSBKVSA-N	417.391	5.163	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1	526250483	MUCADOMHHDTSII-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1	1857850292	FAVQWKDHZCLEJV-UHFFFAOYSA-N	418.587	6.405	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)n12	1858588808	CQYLQMDDSCLIFF-KYJZABPNSA-N	419.984	5.320	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1Cc1ccccc1Cl	1858591404	KDKUQMANTZCITI-OQLLNIDSSA-N	424.772	5.504	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1OCC	1860086850	KWRKFSHTPMUBEM-RGVLZGJSSA-N	424.547	5.371	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc1OCC	1865666957	WZZAZGOCFMEAES-DEDYPNTBSA-N	412.917	5.329	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cccc1OC	1865668606	HNAOIBYRZWEQIV-HMMYKYKNSA-N	410.489	5.205	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC	1865669675	VPYDGYZDPBFUMK-LTGZKZEYSA-N	422.525	5.469	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)N=C1C(F)(F)F	1865676052	NZKGIVFJYXWRGH-RGEXLXHISA-N	424.422	5.976	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865676101	PUYMQNFOICAIGF-HAVVHWLPSA-N	410.473	5.098	10	10	HKCE	
C[C@H](N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br)C(C)(C)C	2095913106	QPZLRTMTWAPWHB-INIZCTEOSA-N	416.359	5.988	10	10	HKCE	
CC[C@H](C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1Br	2231476858	BXOZROWMGVZGLP-UWJYYQICSA-N	417.391	5.133	10	10	HKCE	
O=C1C(=Cc2ccc(SCc3ccco3)o2)SC(=S)N1Cc1ccccc1	2297348071	FGUSWSSGQUCBEP-UHFFFAOYSA-N	413.545	5.566	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3Cl)o2)SC1=S	2297578084	LNACKTJGYRTQPY-UHFFFAOYSA-N	414.733	5.194	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)c1	2321660735	MKFFSQIWJRKBEB-UHFFFAOYSA-N	407.438	5.314	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14462144	GOZRBABEZGTATK-FBLLAGFSSA-N	406.570	5.775	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471112	PWEPJVVQSPJDOB-MRUHUIDDSA-N	400.862	5.100	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544531	NVVPVGPMALLZSC-ISJBWFOZSA-N	412.533	5.815	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1ccccc1O	14993785	YGHJIBCWPWWWDS-QHCPKHFHSA-N	407.535	5.653	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2cccc3ccccc23)o1	20238508	OUOOGUULZRGOBN-JWGURIENSA-N	410.498	6.390	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C\c2ccc(SC3CCCCC3)o2)C1=O	33247980	QYSBPWNJJDPGPG-FHHIAAGZSA-N	424.522	5.768	10	10	HKCE	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	102626926	YLSVGZIWBLYTHI-MOSHPQCFSA-N	423.299	6.592	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)cc1	103730459	YXJXXEZXZFMOLP-JCMHNJIXSA-N	417.306	5.922	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2)c1ccccc1	226637341	KYYSMRZXLCAHFA-RNHFSVANSA-N	412.489	5.201	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226704657	CJTBZUZERBEJAZ-JLHGSKIFSA-N	414.343	6.160	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2c(O)cccc2O)c(Br)c1	235518144	LGIOPXANAYGZAC-VIFPVBQESA-N	401.098	5.104	10	10	HKCE	
FC(F)(F)c1cc(NC(=S)NCc2ncccc2Br)ccc1Cl	243650290	OZOAKPNPTBSZLF-UHFFFAOYSA-N	424.673	5.003	10	10	HKCE	
FC(F)(F)c1cc(Nc2nnc(N=Nc3ccccc3)s2)cc(C(F)(F)F)c1	254770174	ZQOIKTKKWDRVPX-UHFFFAOYSA-N	417.338	6.735	10	10	HKCE	
Oc1ccc2ccccc2c1CNCCCN(Cc1ccccc1)Cc1ccccc1	390572488	ASVQLVAQUQYTTE-UHFFFAOYSA-N	410.561	5.728	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)ccc1F	1858587526	ISLATMKHMODLIY-LTGZKZEYSA-N	419.631	7.009	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccccc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859910759	MOGKQVIUFZQOFO-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
CCN(CC)c1ccc(CNCCC(=O)N(Cc2ccccc2)c2ccccc2)cc1	1860708973	CXIYSNDZAXMHGH-UHFFFAOYSA-N	415.581	5.246	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OCC	1865665318	MYJGBBLTYUJQHO-HZHRSRAPSA-N	420.553	5.683	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OCC	1865666945	WHVGAWYSNWJHSR-HYARGMPZSA-N	406.526	5.293	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cc(Cl)c(Cl)cc3C(=O)O)cc2)cc1	1865859010	DLEPWLMXKRFYIR-UHFFFAOYSA-N	415.276	5.117	10	10	HKCE	
Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)(C)C)C2=O)cc1	1872958087	QFZXZFQGOYFUSZ-UHFFFAOYSA-N	414.505	5.234	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)cc1Br	1915364032	CMGBAWVMWSOVRG-JKSUJKDBSA-N	415.400	6.298	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080034321	NMGKEKJKTADVRW-HNNXBMFYSA-N	418.843	5.300	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C)c(Br)c2)c1C	2085737081	JKMCQMCJFPFSBV-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
CCNCc1ccc(N(C)Cc2sccc2Br)c(Br)c1	2156990270	SURCCPLILQGDSI-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
CCN1C(=O)C(=CC=C2N(CC)c3ccccc3N2c2ccccc2)SC1=S	2297602737	WUUKDMCVJYNRBZ-UHFFFAOYSA-N	407.564	5.270	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1OCC	2318753317	DAYKQFRLDHBNKX-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
COc1cc(N2C(=O)C(=Cc3ccccc3C)SC2=S)c(OC)cc1Cl	2321629419	HIWKILJRPCQWTH-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1	2321721644	ZHUUUMKUMMDFMZ-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CC(C)C[C@H](C)Nc1ccc(N[C@H](C)CC(C)C)c2c1C(=O)c1ccccc1C2=O	5424065	LOIONYUPSGYWKG-HDICACEKSA-N	406.570	6.155	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14465409	GGGIILVMTWLXQK-UMFSSWHCSA-N	401.937	6.788	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2)N1CCCCCC1	14466714	VIHIKQWEQDIELQ-GLDPYIMESA-N	406.957	6.183	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14472222	SUETYOAGRYBKEL-ZEVJAHDQSA-N	418.537	6.771	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473184	RUIMFAJRYXIYMI-YZZKKUAISA-N	412.917	6.500	10	10	HKCE	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1	33742118	WEUNULAZXXSTDL-DEDYPNTBSA-N	418.880	5.917	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1	40867583	RCSHGTKWLCSYPJ-ZHZULCJRSA-N	419.527	5.422	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cc(Cl)cc(Cl)c2O)c1	387875166	WASIRFHAHMXNKG-UHFFFAOYSA-N	401.265	5.797	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cc(Cl)ccc1Br	715739233	XOQPKRXAPLLYBL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(N=c3[nH]c4c(Cl)cc(Cl)cc4o3)cccc21	1859832663	FKFZENFIKISMQQ-UHFFFAOYSA-N	409.228	5.076	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)c1	1860075089	HSKUPGDKWYPNEZ-LICLKQGHSA-N	405.928	5.071	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccccc1C(F)(F)F	1860086646	YGYDTZHDYZKCRE-LDADJPATSA-N	415.461	6.264	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)cc1F	1860087373	SPZBFNGLTCYFCH-AWNIVKPZSA-N	402.274	5.677	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665965	VUHCCZPRJQROLK-NTUHNPAUSA-N	414.119	6.496	10	10	HKCE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891212329	BRUBYKGCYHPTHH-ALKREAHSSA-N	419.352	5.066	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2034826990	MDMGXIYAZMPIID-QGZVFWFLSA-N	403.408	6.000	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079039281	FDVMIVPKBMZINT-OAHLLOKOSA-N	416.827	5.136	10	10	HKCE	
CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1	2297335313	UAGWMVZZCFOGHA-OAHLLOKOSA-N	413.564	5.147	10	10	HKCE	
CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(CC=Cc3ccccc3)CC1)n2CC	2322737938	VRVZVVDUMVYZSE-UHFFFAOYSA-N	415.581	5.003	10	10	HKCE	
CCCCCN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S	2323711058	XULOWQVTCIVAFZ-UHFFFAOYSA-N	420.781	5.200	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323850909	WWMXDFNYJBVSCK-ZDUSSCGKSA-N	412.964	5.808	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(C[C@@H](c2ccccc2)N2CCCC2)C1=O	2323882398	VYFVASSRXJNNAG-FQEVSTJZSA-N	408.592	5.033	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F	2332133223	PAVKUSVLUFNBMV-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
FC(F)(F)c1cccc(/N=N/c2cnc(-c3ccncc3)nc2-c2ccccc2)c1	5490335	FHIPJHPBSKOXJH-QVIHXGFCSA-N	405.383	6.640	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459385	ZTPBOFVZXKQNEK-RLSLOFABSA-N	418.537	5.099	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552067	DKCVKOVTHIUXMF-YZUZCNPQSA-N	418.606	6.107	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20718301	RUOLFMJFAOIJEO-PLXFJCCSSA-N	410.517	6.164	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3F)N2)c1O	20764373	HKORHKPFAIKETH-RCZVLFRGSA-N	420.484	5.161	10	10	HKCE	
Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	24954091	GZAWEWUSRUXKHY-UHFFFAOYSA-N	417.553	5.203	10	10	HKCE	
Cc1ccccc1C(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1	33320630	BIISJLQEICQUPU-UHFFFAOYSA-N	416.912	5.271	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2cc(F)ccc2O)c(Br)c1	125858238	LKTFRDHGVWHKSG-VIFPVBQESA-N	403.089	5.538	10	10	HKCE	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(Br)ccc1O	379627951	NEEDZHKPJGTBGX-LRQRDZAKSA-N	417.391	5.249	10	10	HKCE	
COc1ccc2c(c1)N(C)/C(=C/C(C)=C/c1sc3ccc(OC)cc3[n+]1C)S2	685944653	ZBMALLKIXHEDPB-UHFFFAOYSA-N	411.572	5.230	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591646	KHLXRTYXFCKOFK-OQLLNIDSSA-N	424.425	5.015	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)cc1	1860085646	HJZWOURTVCCGRY-CPNJWEJPSA-N	401.528	5.719	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2sccc2C)cc1	1865670791	RLEBFIOLOWQEBY-CPNJWEJPSA-N	408.910	5.553	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCc2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1865862632	FUFFIWKMTMSUBF-UHFFFAOYSA-N	422.550	5.483	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915404057	JDRLSPOASMGZSF-UHFFFAOYSA-N	415.400	5.827	10	10	HKCE	
Oc1c(Cn2nc(Cl)c(Br)c2C(F)(F)F)cccc1C(F)(F)F	2079216218	ADABHJVFRQFUNZ-UHFFFAOYSA-N	423.538	5.091	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080022412	KBUMFILYMDLILD-IBGZPJMESA-N	418.965	5.723	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)cc1Br	2186640028	ZWDBQNBXWYWAJX-ZJUUUORDSA-N	419.182	5.524	10	10	HKCE	
COc1ccc(OCc2ccc(F)cc2)c(C=C2C(=O)N(c3ccccc3)N=C2C)c1	2293582596	DZSLACMMGLPKJZ-UHFFFAOYSA-N	416.452	5.219	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	2321647123	WRPFMUBDOACAPZ-UHFFFAOYSA-N	407.516	5.350	10	10	HKCE	
CCCCCCN1C(=O)C(=Cc2ccc(OCCC)c(OCC)c2)SC1=S	2323718810	FHDJAHGJFQXECE-UHFFFAOYSA-N	407.601	5.656	10	10	HKCE	
COc1ccc(CCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2323739340	WMNADSCFQWQTLW-UHFFFAOYSA-N	424.374	5.446	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccccc2)cc1	2332094516	NUZORLYOAXUHTD-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc1OC	2332125652	ZAPXMNSEFXDVQQ-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c(OC)c1	2332140328	WPRGKZKFNAXPNZ-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2ccc[nH]2)cc1	2332143373	PCVVEEZDHSROCX-UHFFFAOYSA-N	412.276	5.165	10	10	HKCE	
Brc1ccc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1	6971278	KLYFCRCTRIKBNK-GRDNDAEWSA-N	405.133	6.038	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640821	IOSWTUMEAPDMRY-PNCHPQGNSA-N	423.509	5.106	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14461946	JYQWBBDKMKIPBC-IMSXRSKXSA-N	403.570	5.499	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14466571	VYFHAJIFQGROAA-WOVHNISZSA-N	407.985	7.516	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477235	PDEJQYFIHQBOFG-GXZWQRSESA-N	415.364	6.350	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477859	DPDVSNGQBZBIMT-ROWOMKEUSA-N	415.364	6.348	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14548142	PMBIUCRLRCFDEB-NDDXJGTKSA-N	419.524	6.951	10	10	HKCE	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551346	IONZXMIVHQLPGN-SLSDLSHTSA-N	422.594	5.466	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1	33927652	ULKHXGBDGVAVPE-YVLHZVERSA-N	413.271	5.079	10	10	HKCE	
OC1=N[C@H](c2cc(Br)cc(Cl)c2O)Nc2sc3c(c21)CCCC3	35668860	KLUNBKODMUPOFF-AWEZNQCLSA-N	413.724	5.177	10	10	HKCE	
CCc1ccc([C@](Br)(c2ccccc2)C2C(=O)c3ccccc3C2=O)cc1	105630068	PTKGFQLNCVQNLA-XMMPIXPASA-N	419.318	5.583	10	10	HKCE	
CCCCOCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858587741	YKMYGDUPNQIGGA-XNTDXEJSSA-N	404.384	5.401	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	1860073621	YKZLSSPKIRTATC-LICLKQGHSA-N	405.947	6.182	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860075434	VJEFFOVTNBVGKQ-GIDUJCDVSA-N	414.766	6.361	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)ccc1Cl	1860085131	PMNIRZSOUMZWKL-FRKPEAEDSA-N	405.331	5.881	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673375	AZNQGHVULDGHFM-CXUHLZMHSA-N	407.670	5.043	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675886	FQTLFZMJFPKOIX-HKOYGPOVSA-N	424.500	5.488	10	10	HKCE	
COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079843156	DLXBVJUFQFGCTD-QGZVFWFLSA-N	423.351	5.105	10	10	HKCE	
CCN(CC)CCN(Cc1ccccc1)c1ccc([C@@H](C)NC)c(Br)c1	2095882057	VADAHJCNCIJSQE-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	2293228326	WAVRUJRRVRIHJU-UHFFFAOYSA-N	419.358	5.485	10	10	HKCE	
Cc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	2294028565	WPAYDYXMOYTPDS-UHFFFAOYSA-N	419.462	5.243	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1	2296880053	SOIKWPDSJPABKW-UHFFFAOYSA-N	411.596	5.005	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1c(C)nn(-c2ccccc2)c1C	2313548490	WFSPLOZMSQRTLD-UHFFFAOYSA-N	419.916	5.169	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2CCC)cc1	2332116732	SRUSFEINUWIEEO-UHFFFAOYSA-N	424.972	6.491	10	10	HKCE	
O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1c(O)ccc2ccccc12	2921383	DOZJYTVHXGJEEI-BRGVFWSASA-N	409.485	5.495	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457811	ZWFKUSRGSXVWBJ-MZLICYQSSA-N	424.610	5.515	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	14460900	XQCDBINUBYEAEZ-RVPKQNPDSA-N	405.223	5.029	10	10	HKCE	
Cc1ccc(OCc2cccc3ccccc23)c(/C=C2/SC(=S)N(C)C2=O)c1	33447874	PDHPCTWKFIKABM-FYJGNVAPSA-N	405.544	5.558	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc2ccccc2c1	41017511	KKUOSBRMXOMQQC-UHFFFAOYSA-N	420.559	5.643	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620447	CVVBYERYXTYFQK-JOCHJYFZSA-N	418.518	5.769	10	10	HKCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	58833899	MBSJQFILHIHZPC-UHFFFAOYSA-N	420.848	5.101	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	59397709	QZOBKBJBQURCSE-NVNXTCNLSA-N	408.863	5.102	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OCC)c1	96482816	BRCJVWKXCBHUPB-NPRIEWAGSA-N	413.564	5.446	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226667644	LRLYQHWPBGKXIY-WDZJFXIESA-N	401.575	6.895	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)CC1	1860481816	UHOSKQUMSKTJLM-GHVJWSGMSA-N	406.836	5.300	10	10	HKCE	
FC(F)(F)c1cccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	1860481828	VBLDLHNLKPMPIT-ZQHSETAFSA-N	424.470	6.111	10	10	HKCE	
CN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCCC2)cc1	1999538598	PYKAVYJWLGPCRC-DEOSSOPVSA-N	423.601	5.375	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2Br)C2(C)CC2)c(O)c1	2079007210	OVTDKXDMZDSULW-SFHVURJKSA-N	403.320	5.129	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1	2296453333	OUVKDNSZSHZDQN-UHFFFAOYSA-N	408.460	5.261	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(OCC(C)C)cc2)C1=O	2321706127	FEKMVTWUJBANHW-UHFFFAOYSA-N	423.563	5.083	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	2329978943	IYGGTTARZBTTJU-UHFFFAOYSA-N	406.507	5.174	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	2332105288	QCHSQAUGKOMGDR-UHFFFAOYSA-N	415.198	5.356	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(C)c3)[C@H](C)CC)ccc21	3585604	XNCMLLBQKNKCFT-OAQYLSRUSA-N	423.670	6.464	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	6548411	OATPWHYBWFRJDD-VEVIJQCQSA-N	407.682	5.771	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459285	YAAJZFBNAGUHDN-XXAUWVGASA-N	413.517	5.849	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465766	WXYZSLCFORXDRN-LGVFNWMJSA-N	400.909	6.419	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21	14543986	XRSFFHGWAMKICL-IXFSTUDKSA-N	406.323	6.437	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14545530	HWHAOEJDBXNOLF-WOVHNISZSA-N	424.544	5.842	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2	14550589	BHKOAWWFDOGHLJ-SLSDLSHTSA-N	404.554	5.784	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21)c1ccccc1	20707195	LNXWNESPLKBGCX-UJAPCULTSA-N	410.517	5.710	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	20750504	SULXPSXJUCVIIB-XCGNWRKASA-N	413.348	6.056	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363620	NUJKTDOUNFWJSY-NFBKMPQASA-N	410.876	5.416	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226856601	SZPKUOCVJFGKJQ-YPCDYVTLSA-N	401.506	5.700	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)CC1	226883238	VJQARFWVRGZZSM-IMWIBFENSA-N	417.509	5.293	10	10	HKCE	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@@]12C	254487521	BYSWDNBNMZHMHK-LXTPBUAQSA-N	400.647	6.856	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CC)cc1Br	387289640	WTQXETMKNZUHMC-ROUUACIJSA-N	403.408	6.315	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1cc(Cl)cc(Cl)c1O	387898930	CJTABCLBHWZDJI-UHFFFAOYSA-N	401.265	5.797	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2)cc1	526295587	WSQFVMQMSNEJAT-JOCHJYFZSA-N	404.535	5.652	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526547746	XNABIAZPVPOKAJ-HSZRJFAPSA-N	420.459	5.396	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccc(F)cc1	1084541897	ZBDUPJSCCGZZAZ-CHHVJCJISA-N	413.326	5.403	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1	1860074879	WMQRNCIHBKMGLF-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1	1865665002	WLVCOQVDBUFYLD-UYRXBGFRSA-N	407.300	6.136	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677162	VZYVHRJZPMQZGU-QGOAFFKASA-N	419.868	5.988	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Br)cc3)C2=O)cc1	1865680080	WHAAZSGCPDMDBX-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
COC(=O)c1c(NC(=O)CC(=O)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1865866012	SSABWKJOGNLSKG-UHFFFAOYSA-N	421.518	5.338	10	10	HKCE	
Cc1cc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1CNC(C)C	1946826772	JQDXLCFAOYWUHO-UHFFFAOYSA-N	415.625	5.632	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2293239085	XCLMRPWCWJRINN-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	2296706764	PGVVABTZTDYFJI-ZDUSSCGKSA-N	405.629	5.987	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1	2297232895	ZGUWFKGJYBMVDW-UHFFFAOYSA-N	422.487	5.256	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1=Cc1c(Cl)cccc1Cl	2297462858	TZPSYOPGIAPSAG-UHFFFAOYSA-N	406.240	5.010	10	10	HKCE	
Cc1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1	2314650363	CACROHVSBCDKTN-UHFFFAOYSA-N	415.536	5.101	10	10	HKCE	
COc1cc(N2C(=O)C(=Cc3cccc(C)c3)SC2=S)c(OC)cc1Cl	2321629409	CALUOLYJAONARG-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	13637505	PWCLRDPFTLQHLL-HFMPRLQTSA-N	402.538	5.623	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641897	YRKUFZZWXPURSB-GGUMNFRJSA-N	422.525	5.278	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544830	OLMWBKNZHDHCIY-KAWPREARSA-N	411.549	6.057	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	14549164	JYWMOCDGJLOWRZ-WOVHNISZSA-N	408.457	6.433	10	10	HKCE	
COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)c1	53363311	FLBNVKNJODTHLM-UPVQGACJSA-N	406.913	5.585	10	10	HKCE	
COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364381	VINNVBUTIYRXRR-GGAORHGYSA-N	410.876	5.416	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	59397648	MZHILFPGSXIQCB-ZHZULCJRSA-N	422.962	6.489	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374822	CVSXHFBKJOFHIU-FAHANXHHSA-N	418.540	6.521	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(cccc4[N+](=O)[O-])[C@@H]4C=CC[C@@H]43)ccc21	226649469	OMJFVEBZXFLYMA-MIAKESKMSA-N	409.489	6.549	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226911782	DOEDBGLTFHOYMH-ZFGGDYGUSA-N	408.567	5.124	10	10	HKCE	
CC[C@@H](C)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC	1865961930	YGCKLDWJDHOFHO-SNVBAGLBSA-N	410.333	5.257	10	10	HKCE	
CCCCCCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	1874154781	OFNINKUEWGPWEQ-UHFFFAOYSA-N	420.553	6.314	10	10	HKCE	
COc1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1	2293806483	QQVSSPYHRAYEAE-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
Cc1ccccc1COc1ccccc1C=C1SC(=S)N(Cc2ccco2)C1=O	2297366823	CPLSHJHKHSVBTQ-UHFFFAOYSA-N	421.543	5.568	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)cc1	2297459374	YXJXXEZXZFMOLP-UHFFFAOYSA-N	417.306	5.922	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1C	2321591163	UNWOKRYLRCWOKQ-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323802708	CCVIYOSNEJDTTR-UHFFFAOYSA-N	402.412	6.409	10	10	HKCE	
Cc1ccc(CN(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(O)c1Br	2352647545	DXZVQPCHUWEVBN-RXVVDRJESA-N	418.375	5.279	10	10	HKCE	
Cc1ccc(CN(C)c2c(F)cccc2Br)c(O)c1Br	2380758154	UONFSHICCYXTST-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
CC1CCN(c2cc(NCc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)CC1	6737985	JXBKCDPQKACYNR-UHFFFAOYSA-N	423.516	5.888	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13637426	CKQWYABPGJDTCH-QALTUIAKSA-N	410.517	5.710	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462980	GYOJUPZGYMHABF-XFAFFCHDSA-N	422.572	6.567	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470195	BFTGQGYXVNNLSR-WRALFONMSA-N	410.517	5.452	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471011	YHOVTCIWUWWTBL-AVYPCKFXSA-N	411.889	5.213	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	14471337	HLZSALSDZRWUBC-JKSBSHDWSA-N	423.900	5.311	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476701	HEBSKTPVURPFOF-WZOHSFFVSA-N	410.517	5.452	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	20712805	JDRCHNJBWHHIKB-YVHKJVDXSA-N	413.348	6.056	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	34981513	IAOCABCBWZPJLS-NNVROAHOSA-N	407.560	5.604	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc12	35242073	AJTSCCKXHDIXOD-UYRXBGFRSA-N	420.852	5.399	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3C)N2)c1O	53365018	CUUIRQQHRLBKLC-JYFHCDHNSA-N	416.521	5.330	10	10	HKCE	
CCCCc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1	141888898	JRNRQANHBZMFIN-UHFFFAOYSA-N	422.484	5.310	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	210500268	ZYELMEABUOFJHT-SAPNQHFASA-N	409.548	5.232	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C)C1=O	210691201	UGZAECCLJFUFLI-MJOZVEEZSA-N	422.575	5.171	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226862836	KIIPKWSZZSWBHR-VVBPWWLESA-N	415.364	6.302	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Br)c2O)c(Br)c1	708173577	WEENFUZEUUHPCQ-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cc(Br)ccc1F	708179874	WJAYVUHWWVADGB-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccc(Cl)c(Br)c1	715720847	LADSNYNAAHVNRC-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S	1772722032	XGKSSEYEUKNGGE-HLZWUCMXSA-N	401.597	5.812	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1CCc1c[nH]c2ccccc12	1860074866	UNFVNLDQKJGNSL-RGVLZGJSSA-N	403.532	5.093	10	10	HKCE	
CCOc1cccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)c1	1865670399	XZVQPWJYGNRCFD-JJIBRWJFSA-N	412.489	5.237	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673563	LIHRGGPMVJLPTB-MHWRWJLKSA-N	421.697	5.433	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2C2CCCC2)N2CCCCC2)cc1	1866230135	VYFBDSIWNMWPMQ-AREMUKBSSA-N	419.613	5.367	10	10	HKCE	
C[C@@H](O)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1990408122	XIHCAMWXYTWNME-LJQANCHMSA-N	410.508	5.157	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(C(F)(F)F)c1O	2069928275	MSIFSRUZASSIQT-UHFFFAOYSA-N	418.415	5.278	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CN)c2Br)C2(C)CC2)cc1C	2079984516	JIIKWEYHRILBFR-IBGZPJMESA-N	418.379	5.084	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080053030	FKHZJORESHBHMD-MRXNPFEDSA-N	414.880	5.609	10	10	HKCE	
CCn1c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O	2293594297	GGHOSSOPZCJVCM-UHFFFAOYSA-N	405.501	5.590	10	10	HKCE	
CN1C(=CC=C2SC(=S)N(Cc3ccccc3)C2=O)C(C)(C)c2ccccc21	2295089909	PQJULCZJVVGKEA-UHFFFAOYSA-N	406.576	5.242	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1Cl	2296653178	IBPQXGGVGCOZPK-UHFFFAOYSA-N	416.999	6.043	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccccc1	2313507580	VKKODRGIBXGBMX-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
O=C(O)c1ccccc1C=C1SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	2314929776	RNHITTSVBWBFRN-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332096488	MYTFRRFBJOYKOS-UHFFFAOYSA-N	415.924	5.236	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332103925	HRJURETZERFCQL-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1	2332148526	VBZZCLUTCBJNIP-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	6172079	HFLWIOOGECWVSL-VVBXCHJUSA-N	416.304	5.427	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457789	UBNBMMKKGYXJFR-STWLZBDKSA-N	424.610	5.469	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460399	FNNPOROHHUAZDD-YZUZCNPQSA-N	414.936	6.097	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14551809	OAXLBWGWDIKMEN-YZUZCNPQSA-N	412.558	6.487	10	10	HKCE	
COc1ccc(N2N=C(C)/C(=C/Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	95471115	DDKWYNSQGQYMHF-LCYFTJDESA-N	410.688	5.374	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/C(C)=C\c3cc(Cl)ccc3O)SC2=S)cc1	213996120	DJBOCEUSMFKLMV-LSZWCIJZSA-N	417.939	5.406	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226728904	JBDBFJUXOJVUHR-UFNZFVHCSA-N	404.337	6.703	10	10	HKCE	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226785774	IONZXMIVHQLPGN-OTNCWRBYSA-N	422.594	5.466	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(F)cc3F)C2=O)c1	1865673632	OTYVLVZPYUTECO-XKZIYDEJSA-N	402.444	5.412	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)Nc1cc(F)cc(C(F)(F)F)c1	1891629339	AZCBAEKXXBBIKB-LIRRHRJNSA-N	407.411	5.155	10	10	HKCE	
CN(CCCOCc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231450474	DIBMVTOZRSOQPH-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
CCN[C@@H](CCCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236024156	SIGSSVBHJSKEJI-DEOSSOPVSA-N	409.574	5.034	10	10	HKCE	
CC(NCCc1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683253	VQJIEVUPVNAKBF-UHFFFAOYSA-N	415.924	5.197	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1	2323749714	AWTHEXAWRYXDMS-UHFFFAOYSA-N	400.544	5.073	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103934	ICKYWZYQOZZNDE-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332122155	ACSRVWXCKMDVDI-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332129845	UESSUYHRKOXCQM-UHFFFAOYSA-N	409.961	5.768	10	10	HKCE	
O=C1/C(=C/C(Br)=C/c2ccccc2)SC(=S)N1c1ccccc1	3037585	MITHORDOJMFMMW-RVFWBLQRSA-N	402.338	5.371	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640681	OWFLNCQFUNDERZ-AVYPCKFXSA-N	416.315	5.301	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466986	DEGMBMUBIWSBQD-STXHMFSFSA-N	403.309	5.508	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477241	LMFBUDVOXAPLTJ-MNVSYLFESA-N	417.336	5.196	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477683	DPABWWOQBXTGAH-XLNZFTOWSA-N	416.392	7.779	10	10	HKCE	
Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1	15035334	HLMCPBJUISTXNN-UYRXBGFRSA-N	424.591	5.132	10	10	HKCE	
O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc(/N=N/c2ccccc2)cc1	15572497	LJEHXZFLHZXGRC-CYYJNZCTSA-N	417.856	5.104	10	10	HKCE	
CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	40867496	HHKQCRJLXTUVLA-PDGQHHTCSA-N	403.956	5.925	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589401	ZORKEQVDZSIXEC-HPUUJOOBSA-N	422.344	5.551	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC	1860085835	NASUDPFEFXDJHH-WOJGMQOQSA-N	419.955	5.543	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1	1860086262	ULUDIMWDTGIPGH-HMMYKYKNSA-N	415.555	6.191	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccccc3OC(C)C)C2=O)cc1	1860086303	XHBLQKUXTKWADV-LDADJPATSA-N	401.578	5.602	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O	1865672009	KULZTSSBGJXKQQ-XNTDXEJSSA-N	405.679	5.004	10	10	HKCE	
CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	2297303134	YBZQULKZGNQBAU-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1	2297457900	GVFWYEJBSJPMMR-UHFFFAOYSA-N	409.555	5.256	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	2321734236	GXAWETBSORMGBO-UHFFFAOYSA-N	423.481	6.114	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	2332105118	ZRPQQMYIIOKEPY-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OC)c1OCC	2332117428	FLYHUMODDNBINX-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Cl)c1O	2332139896	FRUKBASXMRCUST-UHFFFAOYSA-N	418.880	5.197	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	2332148511	USYWOTUKNHUADH-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
Cc1ccc(CNc2cc(Br)c(F)cc2F)c(O)c1Br	2380800176	GDPQONZKYDMQTL-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14456094	NTUVMOHOFXMNNF-ZILOHOTNSA-N	403.547	6.341	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467876	JBDBFJUXOJVUHR-LEYVPELOSA-N	404.337	6.703	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469984	DZMZLYGUBYBUBG-VRUMLPLGSA-N	401.937	7.054	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@H]21	14548260	PEINXZXFRYNTRD-QAXTUJPFSA-N	413.517	5.930	10	10	HKCE	
CC(C)Cn1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21	33452194	NSQVALTZFCAFGG-HYARGMPZSA-N	420.603	5.741	10	10	HKCE	
O=C1N=C(c2ccc(Br)cc2)S/C1=C/c1c(Cl)cccc1Cl	33742886	QJHIGXIUYPRNJN-RIYZIHGNSA-N	413.123	5.817	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21	253572811	QPXDEEWBKBNMGI-VAKZPMALSA-N	402.925	5.745	10	10	HKCE	
COc1ccc(N=Nc2ccc(NCCCN3CCCCC3)c3c2CCCC3)cn1	256002005	SPXAXUZUQHEHJH-UHFFFAOYSA-N	407.562	5.672	10	10	HKCE	
O=C(O)/C=C/c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1	309599843	ONRIWZOWEFKNNS-WYMLVPIESA-N	411.423	6.010	10	10	HKCE	
CC(C)NCc1ccc(N2CCC(OCc3ccccc3)CC2)c(Br)c1	384101916	VUEDLWQTRAAMES-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526322666	NQGOFTZRSHHADZ-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N=Nc1cc(C(C)(C)C)cc(Br)c1O	1084264447	CNSBNUSRXRDAGB-UHFFFAOYSA-N	408.252	5.784	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860075486	YBVOAKURHABPJH-LDADJPATSA-N	401.984	6.352	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	1860075501	ZUPWVXBOVRWIOC-CAOOACKPSA-N	424.374	6.188	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	1860076884	VNCWNRYXTIUCGT-OQLLNIDSSA-N	420.346	5.355	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(Br)c1	1865656274	DMMNMMWPIOUKRJ-MHWRWJLKSA-N	420.104	5.018	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667266	NRYKDQSQCVWONM-QGOAFFKASA-N	422.887	5.833	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	1865674667	QYYVQIDQGBFMNN-HKOYGPOVSA-N	412.533	6.211	10	10	HKCE	
Cc1ccc(Cl)cc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872738827	VVFBBRSTUZAVJN-UHFFFAOYSA-N	404.901	5.510	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1Cl	1891383332	RMCQOEFHLKHIPQ-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
C[C@H](N)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	2077053164	ZTWRHOFKTYZCNE-HRAATJIYSA-N	403.364	5.045	10	10	HKCE	
CC[C@@H](Nc1cc(Cl)ncc1Br)c1cc(Br)ccc1O	2239558705	JECAGUUSVHULPH-LLVKDONJSA-N	420.532	5.529	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccccc3)SC2=S)cc1	2297356986	UMWAPCIEERQAGE-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O	2297577104	YHWFXIKWTWCJAR-UHFFFAOYSA-N	405.928	5.077	10	10	HKCE	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(Br)cc1	2313501627	DDGMTQLIMPEHGS-UHFFFAOYSA-N	409.205	5.274	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1CC	2332133194	MQSIQDGPSLZBBZ-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141655	NNQOGGZJFYGYCH-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
CCOc1ccc(N(C)c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2)cc1	5128505	ULAMZTOAMWQPEU-BWAHOGKJSA-N	411.505	5.659	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(OC(C)C)cc4[C@H]4C=CC[C@H]43)ccc21	13642882	GYRTUHKLYZRKCX-WMEWVQGBSA-N	422.572	7.428	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCOc4ccccc4)c3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	14545043	IYYUZQOKRUNVCI-CLHVYKLBSA-N	422.528	6.452	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545066	HTIPGDOOJFLIFM-QSJFZTKYSA-N	412.577	7.344	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@H]21	14548261	PEINXZXFRYNTRD-ZIQWTLAOSA-N	413.517	5.930	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	226695408	MMRYWHATPBOGMI-ZFGGDYGUSA-N	411.461	5.674	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226712679	YQDFOYVXWRIPGC-PQNGQFLHSA-N	410.583	5.325	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526172172	QJROKTDEETWZMR-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526180872	XMXVUJISZWLWRV-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	1084128762	RUUUQPJYZRNBRS-KQWNVCNZSA-N	411.461	5.553	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)cc1	1860086006	CTTHJMCXQRGFJF-XDHOZWIPSA-N	415.605	5.849	10	10	HKCE	
c1ccc(C(c2ccccc2)N2CCN(/N=N/c3cccc4ccccc34)CC2)cc1	1860485767	WYUMPPYCOIHZJE-ZQHSETAFSA-N	406.533	6.246	10	10	HKCE	
CC(C)CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1865766626	JOVZUWAXHSTKRF-UHFFFAOYSA-N	415.514	5.462	10	10	HKCE	
Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891374341	JCIDKDYUFSTKAW-RXVVDRJESA-N	403.551	5.037	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC[C@@H](OCc3ccccc3)C2)cc1Br	2129810941	PHSIODBDRVRKCN-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)cc1	2294277030	FQMGQAGSUUEGGB-UHFFFAOYSA-N	415.876	5.598	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1cccc2ccccc12	2332107608	MFVGXNQZLPHEJN-UHFFFAOYSA-N	424.887	6.033	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456895	LXIYAHJBXQKDQW-DCLXLUIPSA-N	400.547	6.160	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14460553	UWGXTWPSDYLSQW-DPZBCOQUSA-N	415.964	7.178	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691875	NDMQJAXUYDFISY-AVJFOWIRSA-N	416.565	5.347	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764410	JHFPSOQHSTXSGR-OZXSUGGESA-N	418.512	5.715	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2cccc(Cl)c2)cc1	96642890	IFVUKSLGHVUTNW-UHFFFAOYSA-N	409.961	5.305	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226779602	SUOGDQFSTRBFLS-UMFSSWHCSA-N	424.544	5.494	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1cccc2ccccc12	526358937	DAZHSBDWSKTGDC-JOCHJYFZSA-N	415.470	5.370	10	10	HKCE	
Cc1sc2nc([C@H](C)N3CCCc4cc(OC(F)F)ccc43)nc(O)c2c1C	825701919	NZSMPTVFUYKNFR-NSHDSACASA-N	405.470	5.129	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cc1	1860085578	AYSGCPWKCBUTOU-LDADJPATSA-N	405.491	5.550	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2cc(C)ccc2OCC(C)C)c1C	1874138663	JGLCLGVKNBBTCX-UHFFFAOYSA-N	406.526	5.698	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](CO)C(C)C)c(Br)c1	1915275186	ZGQYSMPELKWDCL-HTAPYJJXSA-N	419.407	5.143	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@H](C)N)cc2Br)c1Br	2157020703	WANSXPDSWQJGNV-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1	2321609779	XLFGFMYZXJJNHM-UHFFFAOYSA-N	400.544	5.073	10	10	HKCE	
FC(F)(F)c1cc(N=NN2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)c1	2330147671	ADMIHFZRNOPXBB-UHFFFAOYSA-N	416.369	5.541	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@H]21	14545584	MNNVRGLKRFPTLE-DFIYOIEZSA-N	416.565	5.784	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S	16926518	GNGKKNIYPYVGQC-VKAVYKQESA-N	409.548	5.232	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	27548727	YOLWIZWKHROFPY-UNOMPAQXSA-N	420.852	5.413	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1OC	53363062	QNWYVDPTFQSGQG-RDPSFJRHSA-N	422.912	5.285	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1	54620739	GLOVPWVSDNPMTG-QFIPXVFZSA-N	413.477	5.104	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2ccc(C)cc2C)cc1	205965933	RIBQJUFDIXNQSJ-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226709924	BMIDJRUACMOEJU-INNMJMHTSA-N	418.625	7.318	10	10	HKCE	
CC1(C)C=N[C@H](c2ccccc2O)N2[C@@H]1c1ccccc1O[C@@H]2c1ccccc1O	247835486	NCEPWFNFYROBQZ-TZRRMPRUSA-N	400.478	5.342	10	10	HKCE	
Nc1c(NC(=O)OCc2ccccc2)c(N=Nc2ccccc2)nn1-c1ccccc1	254819745	VBUNOQUZUKVMDT-UHFFFAOYSA-N	412.453	5.619	10	10	HKCE	
CCN(CC)c1ccc(CNCCCN(Cc2ccccc2)Cc2ccccc2)cc1	390598471	VNKHHQIEWNRALX-UHFFFAOYSA-N	415.625	5.715	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)cc1	526361808	LCWAJXUHUJJPNF-VWLOTQADSA-N	423.468	5.617	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1	1083927133	NLAVWLBEVJODPH-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
CC(C)N(C(=O)c1c(F)cccc1Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859892084	YNTYQRUWVZJNBT-UHFFFAOYSA-N	421.855	5.310	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	1860083976	JCFXBMMJZHYRFU-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1	1860085756	YCUGXGNPHREXKF-OQLLNIDSSA-N	424.330	5.186	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1ccccc1Cl	1865666646	QJOKLYVTHKLHGG-JYRVWZFOSA-N	415.198	5.043	10	10	HKCE	
CC1=NN(C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1865678252	BIKCILJAABPFRD-HZHRSRAPSA-N	412.489	5.076	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679911	MSZOSFJYIKPLTB-OVCLIPMQSA-N	424.125	5.558	10	10	HKCE	
CC(C)(C)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1	1873913429	UGFYSUHLLHNUPG-UHFFFAOYSA-N	422.484	5.265	10	10	HKCE	
CCCC1(NCc2cc(Cl)cc(Cl)c2O)CCN(C(=O)OC(C)(C)C)CC1	2157595902	WRJXGKATONRQPN-UHFFFAOYSA-N	417.377	5.358	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321687279	XBRZRNDWWCDWPL-UHFFFAOYSA-N	411.592	6.179	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccccc3OC(C)C)C2=O)c1	2321692215	OUEDNTNHSMFIAT-UHFFFAOYSA-N	413.564	5.667	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1	2323843085	WJFLFJZPQVYIFA-UHFFFAOYSA-N	411.548	5.084	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OCC	2332106640	OZNVFBSJXSSCRI-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O	2332132609	RMAZUDSGSZGLFG-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13637429	CKQWYABPGJDTCH-KJMJZGGDSA-N	410.517	5.710	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462369	ICGOVVJSQCOORU-SLSDLSHTSA-N	403.570	5.499	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	20717072	JMUBKEXAWIKJQM-GKAFBRTNSA-N	408.545	6.393	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21)c1ccccc1	20752855	FOXUOLUOBSOVLU-ILXZRYGISA-N	400.547	6.066	10	10	HKCE	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1Br	41641489	AECGAPLZJOHCKQ-GFCCVEGCSA-N	412.169	5.128	10	10	HKCE	
O=C(O)CCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)s2)SC1=S	96997894	JQTZJFKTDCORSF-WJDWOHSUSA-N	421.540	5.010	10	10	HKCE	
CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S	102838650	WAAQORLUKJWQFS-XDHOZWIPSA-N	423.538	5.208	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(SC)cc1	103723536	SRBVPCOHJYAVGW-CPNJWEJPSA-N	413.926	5.329	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	226676568	TTZKGCXNHHMTIU-SLSDLSHTSA-N	403.570	5.954	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226726995	NNOHXGZAHWTUES-YDIMBITNSA-N	421.493	5.014	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226832811	WNHQSMTWYGVZGH-ZOCZFRKYSA-N	415.364	6.348	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226835329	DKTGIJMHVVBURH-VHSZZVNMSA-N	424.544	5.794	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	229161174	QQRLPINOIZKSRR-DWQBAWJJSA-N	407.424	5.398	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	250497959	CDYNEZKSKLVMSC-ZOCZFRKYSA-N	400.736	7.627	10	10	HKCE	
Cc1nn2c3ccccc3n(C)c2c1N=Nc1nc2ccccc2n1Cc1ccccc1	254837014	ZJIPBTCZYCUAOO-UHFFFAOYSA-N	419.492	5.948	10	10	HKCE	
COc1ccc([C@H](C)NCCCN(Cc2ccccc2)Cc2ccccc2)c(O)c1	390593688	RDKPQDJQOKFSPF-NRFANRHFSA-N	404.554	5.144	10	10	HKCE	
CC[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)c1cc(Br)ccc1O	717996849	HQPYGADTUNKVFP-SFTDATJTSA-N	417.391	5.106	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(OC)ccc1OC	1865668146	IGHWHDAVNFHOSR-LTGZKZEYSA-N	400.478	5.443	10	10	HKCE	
CC(C)(C)c1nn(Cc2ccc(Br)cc2O)c(Cl)c1C(F)(F)F	2079712479	OGMUDSWOMCHEAS-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080035562	SHOJKGCVJUMMSU-OAHLLOKOSA-N	416.827	5.054	10	10	HKCE	
CSc1ccc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1	2297469411	UKEQTTUTMKJLRK-UHFFFAOYSA-N	412.584	5.388	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	2321618040	UJTGZPOMOYRVPN-UHFFFAOYSA-N	422.575	5.399	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	2321685121	GKDGMGFRLPXFOX-UHFFFAOYSA-N	410.564	5.091	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1O	13914948	QJLIVPIOOBMECF-XGICHPGQSA-N	411.672	5.167	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456751	WJYWLUYGTGOBNB-DZRGJMJISA-N	403.547	6.341	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458219	CORUKKWVRGLUDJ-VMODYCNZSA-N	408.545	6.691	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)cc1	14461853	DUAIVRFBPJMXFV-YZUZCNPQSA-N	417.597	5.888	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469415	BPRZLPAZPVOYLE-IMSXRSKXSA-N	422.355	7.399	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCCC(C)C	33345846	BWRLWGMJAIYHPN-XDHOZWIPSA-N	417.552	5.115	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3nc(C)c(Cl)cc3Cl)c3ccccc3)c(O)c2n1	54200377	RVDVDQVUVWTLIR-FQEVSTJZSA-N	424.331	6.461	10	10	HKCE	
CCc1ccc([C@@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)cc1	59500819	BXXFZWYZGQRDBG-OAQYLSRUSA-N	419.318	5.594	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226845340	ABNFYAWBNYOQCM-OHUGHZGNSA-N	416.952	7.058	10	10	HKCE	
CCOc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1	1084287890	LSFUKGXEVJSUOC-GZTJUZNOSA-N	404.944	5.010	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084100	DKRWIBGRYQWSPV-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865664484	FKDPYMXGMJVNLF-VGOFMYFVSA-N	414.119	6.102	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OC)c(OC)c1	1865677275	ASURYMBSHAHDHN-HMMYKYKNSA-N	400.478	5.443	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Cl)cc(Cl)c3O)CCC[C@H]12	2154577438	RWEIREAMXRQUMT-OXJNMPFZSA-N	415.361	5.111	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](NC(=O)OC(C)(C)C)c1ccco1	2172878920	XWZRJAFWDMFDFD-BZNIZROVSA-N	415.317	5.036	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1	2293308566	QCELZIIPNBYDOT-UHFFFAOYSA-N	403.528	5.671	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccco1	2296656729	FAVIEKHNXCLRPT-UHFFFAOYSA-N	401.896	5.594	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	2321576611	KUGBYZFPXICNQQ-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3ccccc3F)C2=O)cc1OCC	2323854629	GAWBPXXLOSSCBJ-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2ccccc2Cl)cc1	2332104626	ACWSIUNJFNIBEE-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332129882	XVDRBDNLZFTMKE-UHFFFAOYSA-N	403.570	5.732	10	10	HKCE	
O=C1N=C(O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(F)cc1	2283303	MITBNHLVQVZGDQ-UCQKPKSFSA-N	424.431	5.634	10	10	HKCE	
Nc1ncc(/N=N/c2ccc(C(F)(F)F)cc2)c(-c2ccc(Br)cc2)n1	12958274	IQHPGLIJZYFCGK-OCEACIFDSA-N	422.208	5.923	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2)c1ccccc1	14456887	FJORPRRPSYHSKI-STWLZBDKSA-N	414.574	6.550	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14460554	UWGXTWPSDYLSQW-OASJLCFRSA-N	415.964	7.178	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467765	SPLQGUPINNYVCE-VWKPWSFCSA-N	420.336	5.941	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544533	NVVPVGPMALLZSC-LZCXECNNSA-N	412.533	5.815	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21	14548154	VJBSRACITYZKNI-OZFDALNOSA-N	413.517	5.930	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550382	RRKVMQVSZQAEEY-HWBMXIPRSA-N	416.565	5.926	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@@H]32)cc1	14553508	OYCICJUACXYXCE-FXSPECFOSA-N	410.517	6.082	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CC=C[C@@H]32)CC1	20705265	ACPFPOIDHFJMQG-ZRCGQRJVSA-N	417.509	5.293	10	10	HKCE	
O=C(c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1)N1CCCC1	33114827	WUVRKWUSRJPTPR-UHFFFAOYSA-N	402.513	5.788	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/SC(Nc2cccc(Cl)c2C)=NC1=O	33409625	MFSXPLLEROGIBY-UDWIEESQSA-N	408.910	5.893	10	10	HKCE	
CCCCCC1(C)OC(=O)C(=Cc2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O1	59567526	JMMXHBJXPBUHDD-UHFFFAOYSA-N	417.505	5.923	10	10	HKCE	
O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccccc1	83313281	VAAIAXSRPAOSEQ-STZFKDTASA-N	421.518	5.811	10	10	HKCE	
Cn1cc(/C=C2/C(=O)N(CN3CCCCC3)c3cc(Cl)ccc32)c2ccccc21	102720319	QNDMJMANPMHJNZ-FYJGNVAPSA-N	405.929	5.162	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226634025	QROANNOMOQOTJM-KHCICDEESA-N	408.542	5.385	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226655213	NDMQJAXUYDFISY-IMIIHFCZSA-N	416.565	5.347	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(N(C)C)cc2)c1	526154543	WKZRXBOJRSGCLP-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526174551	SOLZPEUUSRRHDY-JOCHJYFZSA-N	422.525	5.791	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1	1860086696	BCVNFHJGGXEWEY-OVCLIPMQSA-N	424.330	5.186	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865677118	WWVPJZPRFQAQPP-NLRVBDNBSA-N	424.544	6.469	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865678906	KIHKQZDHAKBESH-GHXNOFRVSA-N	403.162	5.481	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1	1875046360	SCSJOVHYNXGWQW-UHFFFAOYSA-N	410.517	6.234	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)nc1-c1ccccc1	1892043349	XQOVLTFKVKZTSS-UHFFFAOYSA-N	412.561	5.648	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(C=O)c2Br)cc1C	2079979561	REXDOOKXFMMRTG-IBGZPJMESA-N	403.320	5.047	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c4ccccc4cc4ccccc34)C(=O)NC2=S)cc1	2294228993	AYPNPGHZRFWVFQ-UHFFFAOYSA-N	422.509	5.133	10	10	HKCE	
Cc1ccccc1N1CCN(C2=NC(=O)C(=Cc3ccc(C(C)(C)C)cc3)S2)CC1	2296759591	GPDKJDQTCPOKSM-UHFFFAOYSA-N	419.594	5.085	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2297460227	HJMXGZCAXKIFFV-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1	2297461931	MYTMWQCAMDTTEW-UHFFFAOYSA-N	400.670	5.593	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1	2313541012	KCZVAVGGECVRPK-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1OC	2321606828	GCEGJTLILRRLER-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	2321647047	WOFCPNGSYZGRNM-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	2332104217	SEOVZVVRMJXKKC-UHFFFAOYSA-N	400.909	6.298	10	10	HKCE	
CC1=NN(C)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	2332141526	BIKCILJAABPFRD-UHFFFAOYSA-N	412.489	5.076	10	10	HKCE	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1F	3001229	PFLFDNWAZJPPFQ-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477751	RUGPGDAYVXBFRS-GSHUGGBRSA-N	404.337	6.235	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550321	SMFAHOCUPJIVPD-PPJWLVRDSA-N	424.544	5.494	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551174	CIBZGPSMXNRKIV-HFMPRLQTSA-N	402.519	5.314	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)ccc21	20684353	WFNYOCOVEJVKEX-ZOIIRCJOSA-N	423.516	6.858	10	10	HKCE	
O=C1c2cccc(NC3CCCCC3)c2C(=O)c2c(NC3CCCCC3)cccc21	90648546	LOXYAISXMRAABD-UHFFFAOYSA-N	402.538	5.951	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	100147501	VKGLRLFNHCTGGQ-XDHOZWIPSA-N	406.825	5.104	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1cccc2ccccc12	100276092	DMLZVCOCYQFYKN-LFVJCYFKSA-N	411.501	5.840	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2)c1ccccc1	226720207	UINNLZXNWQGGQO-OTNCWRBYSA-N	414.936	6.443	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	226794344	LFXULZYPBIRMJR-STSQHVNTSA-N	409.526	5.574	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226888779	IAMAMYCKSRYBFP-SSLSWHBASA-N	419.524	6.951	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226890970	PFIDHRBIAABDOG-MIHVYDCKSA-N	418.540	6.802	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858590287	HYAVVFHACMJUHE-NTEUORMPSA-N	412.964	5.664	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1865959657	UCQRAMGXUBDEIU-UHFFFAOYSA-N	407.535	5.698	10	10	HKCE	
Cc1[nH]c2ccccc2c1C=C1SC(N2CCC(Cc3ccccc3)CC2)=NC1=O	2314656333	JKWNDUUPRAMMLR-UHFFFAOYSA-N	415.562	5.401	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332099789	DZSRXCKIRAPOBC-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)ccc1O	2332134912	YMMGWJTXNXHRGZ-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1	2998179	WFBHPOADSUFDHU-PDGQHHTCSA-N	407.472	5.051	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457777	YSWIJGVSPKBBHQ-BPYKYCOYSA-N	422.594	5.223	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O	14459935	XWVGXUCYXGCCLN-LZCXECNNSA-N	413.517	5.849	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468904	NYUBYVFQVRAGES-RNHFSVANSA-N	407.510	5.626	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14478467	KLHIASGVBZGOBM-SGIRGMQISA-N	422.594	5.433	10	10	HKCE	
Cc1cccc2cc(-c3noc(C(C)C)n3)c(NCc3ccc(N(C)C)cc3)nc12	33331589	LVXPWPXRGAJFSP-UHFFFAOYSA-N	401.514	5.395	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc([N+](=O)[O-])c1	39372917	YMAYHUSSGGPPNN-IZBJGVDFSA-N	413.477	5.000	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1N1CCCCCC1	40610036	UWUPDAQTUMZIHA-CYYJNZCTSA-N	417.473	5.924	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226736691	RLDVQZFVKIXUHP-VWKPWSFCSA-N	411.889	5.669	10	10	HKCE	
CC1(C)C=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@@H]21	247835481	NCEPWFNFYROBQZ-SGNDLWITSA-N	400.478	5.342	10	10	HKCE	
O=C(O)/C=C\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309790627	BBTIGANJXPWGHS-OWBHPGMISA-N	422.322	5.754	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1ccc(NCc2cccc(Br)c2O)cc1	705257296	XFTBVAOHNJEYTO-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	1860084718	DUPODVZSGOTOHB-LICLKQGHSA-N	424.374	6.188	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	1860087444	YBJFPKPGTCPSIS-XNTDXEJSSA-N	419.453	5.067	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865654233	LSGMWKAZRDZGKD-LGMDPLHJSA-N	408.835	5.448	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1F	1891949492	FMWAUIGZJOVOKZ-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
C[C@H](N)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl	1931962815	XZTKRFCROLVCAX-FQEVSTJZSA-N	407.989	5.498	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079025825	QCLMVWMOKFQTFC-GOSISDBHSA-N	402.922	5.168	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2ccc(C)c(Cl)c2)o1	2297459127	DCBJMKFMDJQVMV-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1	2321647316	SKTNRSXEEGEELF-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323802606	NXDWRTYXDIVEPF-UHFFFAOYSA-N	401.519	6.121	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC	2332106637	OPXVGHDHCAWEMW-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
O=C1C(=Cc2cccs2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332127538	HTZHLNIJPSMCLD-UHFFFAOYSA-N	405.228	5.399	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	14473476	PIYOCVMSYSDOKK-GSHUGGBRSA-N	423.900	5.311	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	14545145	YWHHCIAGUJEUCH-ZVOVDXHFSA-N	411.549	6.011	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548926	RWGVGDJHGGLJTA-LJFZDNNRSA-N	400.547	6.241	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2)c1ccccc1	14548996	YBBVWSWBIPMBOB-DCLXLUIPSA-N	400.547	6.241	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2c(C)cc(C)cc2C)N3)c1	14553545	HOPAZTXKFYSWTA-PRVBGKCFSA-N	422.572	6.999	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@@H]2C=CC[C@H]21	20749419	WMNSEUFSNRABMM-IPVFLDMMSA-N	424.544	6.391	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764545	KFXUAGFVRDWBHE-FYYLOGMGSA-N	410.876	5.416	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	33908027	PAVWUZMWFPAXJX-XDHOZWIPSA-N	422.487	5.569	10	10	HKCE	
C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(N(C)C)cc1	59416084	UZGVMJTZLSHECX-HESDBZQGSA-N	411.549	5.744	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829927	OKCBUJZRRGWHHS-XFQAVAEZSA-N	401.337	5.960	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	250512660	SCDKSUFNBJZLCA-LAOBSVPGSA-N	424.544	5.575	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@H]21	250879644	UCOHZWOHHWWSEC-RMIRKMSDSA-N	414.574	6.374	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	251326395	HUGTUZHZAMYDRO-FXWJEBAPSA-N	424.610	5.515	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	379453692	CVFWQERYCRGVCV-UHFFFAOYSA-N	423.398	6.154	10	10	HKCE	
CC1=C[C@H](N=Nc2ccccc2[N+](=O)[O-])C(=N)[C@@H](N=Nc2ccccc2[N+](=O)[O-])C1=N	585341674	GMJVNQZGAAVHPY-LIRRHRJNSA-N	420.389	5.107	10	10	HKCE	
Nc1ccc(N=Nc2ccc(N=Nc3ccc(O)c(Cl)c3)cc2)c2ccccc12	1083815529	KXVILEXNGKXGGM-UHFFFAOYSA-N	401.857	7.612	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860086035	GAJIWPFKUNDNJN-GZTJUZNOSA-N	423.481	5.898	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccccc4OC(C)C)C3=O)c2c1	1860086327	YUKBSSWEAGUTBY-KEBDBYFISA-N	424.547	5.370	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(C)(C)C)c2)N2CCCCC2)cc1	1866197221	NSRNUENIJOLZIQ-DEOSSOPVSA-N	407.602	5.007	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(-c2cccs2)cc1	1891569526	JMDMHOJHQVJAIP-UHFFFAOYSA-N	416.524	5.479	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2cccc(Br)c2)o1	2053496947	QJLCSPWQQSXPBI-UHFFFAOYSA-N	417.328	5.165	10	10	HKCE	
CC1(c2nn(Cc3ccc(Br)cc3O)c(Cl)c2C(F)(F)F)CC1	2079690909	LFLOZZKEPJCARR-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2cccc(Cl)c2C)c1C	2294034370	VALDTVAMDXZMLG-UHFFFAOYSA-N	403.913	5.862	10	10	HKCE	
Cc1cccc(N2NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1	2297366188	XNERTSOMVXRGHG-UHFFFAOYSA-N	413.260	5.023	10	10	HKCE	
CCOc1cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC	2297709210	LMWCZTKXYHHMJQ-UHFFFAOYSA-N	415.283	5.146	10	10	HKCE	
COc1ccc2cc(C=CC(=O)N(Cc3ccccc3)c3ccccc3)c(O)nc2c1	2323720596	LYQHYMBZHHPVEZ-UHFFFAOYSA-N	410.473	5.196	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2323790899	STIUIGQYMZEGKO-LAUBAEHRSA-N	423.603	6.046	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1Cc1ccccc1Cl	2323865216	VLGBLRZHPROCLH-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
CN(C)c1ccc(C=C2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1	2328655469	AFLVJSJCGOFTTI-UIMAKPNASA-N	407.642	6.540	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccc(F)cc1	2332107745	ZQCDCYJPNWBTHD-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113507	BZPNGTIARYKZEI-UHFFFAOYSA-N	404.897	6.088	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCC)c(OC)c1	2332124496	INQCNPYMOMOFDI-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)c(Cl)c2)c(O)c1Br	2352694676	UOQYJMKPKMTIMP-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1	4729529	SGSSSPWKJGSXRN-FPOVZHCZSA-N	401.348	5.223	10	10	HKCE	
CN(Cc1ccccc1)c1ccc([C@H](Cc2ccccc2)n2nnc3ccccc32)cc1	5328807	BZDFAJCRKRFLDA-NDEPHWFRSA-N	418.544	5.900	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	6266812	HCYIVZMKLCIMFT-BERHBOFZSA-N	406.485	7.036	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459286	YAAJZFBNAGUHDN-BCQCSXDESA-N	413.517	5.849	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464128	QJFHQVGDZOHDLE-XTJBDQBJSA-N	418.562	5.355	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2O)[C@H]2CC=C[C@H]32)cc1C	14474363	RTYQUEMMYKYCLL-ZYLNGJIFSA-N	410.517	6.088	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476192	OPEFMRNBATXFQU-SEPYTNNBSA-N	407.470	5.112	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226655181	WUKYEEQBHZUYEX-ZFGGDYGUSA-N	403.547	6.341	10	10	HKCE	
CC[C@H](NCC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	397551565	VLSGVENROIHYKN-NRFANRHFSA-N	417.391	5.108	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664580	GQLCZVQPBFWNLR-XYOKQWHBSA-N	414.119	6.102	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)ccc3[nH]2)cc1	1872734033	DQPFECXWFGLFHX-LAUBAEHRSA-N	404.558	5.385	10	10	HKCE	
CCc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1	1872807595	VPSKSVDFUQMMAK-UHFFFAOYSA-N	414.509	5.023	10	10	HKCE	
c1ccc(S[C@@H]2CCCCO2)c(N=Nc2ccccc2S[C@@H]2CCCCO2)c1	1933300694	SXOBGIXQLJFPNV-FGZHOGPDSA-N	414.596	7.339	10	10	HKCE	
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	2293418013	XVDXFZJAAFEREE-UHFFFAOYSA-N	422.481	5.136	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1	2297578342	VHBLSOPXRVDILK-UHFFFAOYSA-N	422.337	5.165	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1cc(Cl)cc(Cl)c1	2313610356	WHKJDPLRGGUZRT-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC	2318756778	SRDSRLWCZPLMER-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1Cl	2321669695	JZQQQVIVGFCKDT-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CCC)cccc1OC	2332118515	ULUIADDFZKXYDX-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OC	2332124236	HGHOAKUMHZTVNO-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O	1311613	ZAAAUNSWOYDONU-OZBRYRDZSA-N	422.575	5.253	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461192	NYLITMLDNUZGDG-MRUHUIDDSA-N	414.343	6.160	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476191	OPEFMRNBATXFQU-HKARXFIJSA-N	407.470	5.112	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl	14476888	MTYOASBFZFPMIX-NXMSCROESA-N	408.328	7.612	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546827	ROLAFEXMLUVDFO-VWLHBSKXSA-N	415.364	6.348	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14548216	IAMAMYCKSRYBFP-VTYUZOFQSA-N	419.524	6.951	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14552427	TZSFARIJXVFKBL-UMEGOILYSA-N	414.936	6.727	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750215	GQXHKCVZHFRPJV-YHQOMNDMSA-N	401.337	5.958	10	10	HKCE	
CCN(CC)c1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1	27117704	KCTYPZTVYJYPAX-UHFFFAOYSA-N	413.363	5.308	10	10	HKCE	
CC[C@H](N[C@@H](C)c1ccccc1Br)c1cc(Br)ccc1O	36945602	HYRSOKWSMLUYCZ-ZBEGNZNMSA-N	413.153	5.719	10	10	HKCE	
COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364384	VINNVBUTIYRXRR-GMAHTHKFSA-N	410.876	5.416	10	10	HKCE	
COc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1OC	54621749	ACGRNXDPZUUSFU-JOCHJYFZSA-N	404.441	5.298	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	100148344	UYMJSWFPHOYAKG-IWIPYMOSSA-N	409.464	5.635	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226738810	IXJHBONSWHFGBZ-XFQAVAEZSA-N	404.337	6.560	10	10	HKCE	
CCNCc1ccc(N(C)Cc2cc(Br)cs2)c(Br)c1	233554435	ACFHSMPIJLLKKO-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
Cc1cc(NC(=S)N(c2ccccc2)c2ccc(N)cc2)ccc1Br	243341875	LTIXXIZCPFRRCG-UHFFFAOYSA-N	412.356	5.875	10	10	HKCE	
CCN1CCN(c2ccc(CNc3ccc4c(c3)c3ccccc3n4CC)cc2)CC1	249682743	CJYXHZUNOLLSRC-UHFFFAOYSA-N	412.581	5.568	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccc(Br)c(Cl)c1	715723915	XHEPEILZNLWVQT-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591650	KLWYBGKHLOQVKY-OVCLIPMQSA-N	415.408	5.385	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	1860076902	XTOOVWQCOFLEIE-LTGZKZEYSA-N	409.620	6.733	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	1860086096	JPUSXQLOCWTFEL-WOJGMQOQSA-N	414.508	5.035	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2ccc(C(C)(C)C)cc2)cc1	1865658934	VSWYSLMHQJXQDQ-OQKWZONESA-N	411.505	5.222	10	10	HKCE	
COC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1-c1ccc(C)cc1	1866088604	PBHVPIZTGOTSIO-UHFFFAOYSA-N	411.548	5.549	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(F)ccc1F	1891949453	CYQPXECVQWYKLY-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCN=[N+]=[N-]	1951349900	FMULGQYKWZBOMR-UHFFFAOYSA-N	420.105	5.411	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(C2CC2)c1Br	2079752168	DZZCCSRQPRIRDT-UHFFFAOYSA-N	401.226	5.173	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12	2293606252	ZAHILMKREZFVAI-UHFFFAOYSA-N	421.543	5.258	10	10	HKCE	
O=C1C(=CNC2CCCCCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	2297100843	WTJFNEITEBZSNV-UHFFFAOYSA-N	422.476	5.148	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1C(F)(F)F	2313577408	QDWWFJYEWOIUHD-UHFFFAOYSA-N	421.802	5.236	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	2332144920	ZHDIRTBFQXSALQ-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
COc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332148198	LCJMIKHNIRIXBC-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	6395049	CFICJIJHFRZIQR-LRDZBDLTSA-N	415.559	5.886	10	10	HKCE	
CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	10681800	IHYHHVJSAKPRRU-OTFRVBNWSA-N	415.537	7.412	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639241	CBIPDGRRENUFQU-WAOWUJCRSA-N	414.343	5.691	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457665	NOOHABGKPJVXHP-FIKGOQFSSA-N	415.318	6.043	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21)C1CCCCC1	14466304	OUANEEOYRIOZGH-GLDPYIMESA-N	420.984	6.571	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549526	GFHSEJCZHZSXCA-IBGGVINMSA-N	418.540	6.521	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363158	TVLOMLSHPIIMCD-VWNXMTODSA-N	424.903	5.806	10	10	HKCE	
CC1(C)c2ccccc2-c2cc3c(cc21)C(=O)c1ccc(Br)cc1C3=O	168612993	VKIXGVZGNODLQS-UHFFFAOYSA-N	403.275	5.531	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)c(OC)c1)N2	226710641	PHTXWGUVEIPTHO-ZCCHDVMBSA-N	412.917	5.619	10	10	HKCE	
CCOC(=O)c1cc2oc(Cl)c(CSc3ccccc3)c2c(O)c1CN(C)C	1083906897	LGZPRLPXKGUNAN-UHFFFAOYSA-N	419.930	5.322	10	10	HKCE	
CCOc1c(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cccc1OC	1865670410	YOMVASSPNFQZBY-QBFSEMIESA-N	424.806	5.096	10	10	HKCE	
CCOc1ccc2ccccc2c1C=C1SC(=O)N(Cc2ccc(Cl)cc2)C1=O	2297308302	XUEUNOBEQQOKOE-UHFFFAOYSA-N	423.921	6.128	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(C)C	2297356826	FHVSSXOTQOAPSX-UHFFFAOYSA-N	403.500	5.027	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133522	WWVPJZPRFQAQPP-UHFFFAOYSA-N	424.544	6.469	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332140868	QNYNBVVWDCHSLB-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CC(C)CNc1cc(N2C[C@@H](C)C[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	6737901	DKTAJTYPLNAUOD-HOTGVXAUSA-N	403.526	5.589	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21	13641586	IBJMTWVXQIJPSC-BSRJHKFKSA-N	409.526	5.718	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14478645	QECOUYDGQKJWHD-FBLLAGFSSA-N	422.594	5.386	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1OC	14479524	IEQJBWMWDHHWRJ-OREGWCPLSA-N	413.517	6.109	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1	14479967	ITHIEARWUICTKX-WRALFONMSA-N	422.594	5.242	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14550143	DQIQIGZJMPAPNB-BXWFABGCSA-N	403.263	5.126	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710912	HEBSKTPVURPFOF-RNHFSVANSA-N	410.517	5.452	10	10	HKCE	
CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(C(C)C)cc3)C(=O)N=C2S1	32964202	JOGKUJPGYJMYOV-VKXGLNTFSA-N	419.554	5.410	10	10	HKCE	
Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3O)CC2)cc1	34683372	ZIBNLMAILLVVJF-UHFFFAOYSA-N	414.549	5.320	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53363865	FHYDLGVQWMMFAM-NFBKMPQASA-N	410.876	5.416	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1	226687694	JLINHHBPCIZGGA-UWVAXJGDSA-N	416.306	5.184	10	10	HKCE	
CC(C)(C)C[C@H](N)c1cc2cc(Br)ccc2c(Br)c1O	725399878	IRLHGJAGNJQBIU-ZDUSSCGKSA-N	401.142	5.506	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(C)c(C)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917147	LLXXFITUTFVGIT-GOSISDBHSA-N	411.501	5.524	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)cc1	1860076565	KNGHRCHYACDKNA-CIAFOILYSA-N	422.575	5.925	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(/N=N/N2CCN(C/C=C/c3ccccc3)CC2)c1	1860483847	LZBCHIQJHJMZID-QHOYUHCYSA-N	408.855	5.689	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c2ccccc21	1865670576	GYSGTAPQTVGAEJ-HKWRFOASSA-N	411.892	5.666	10	10	HKCE	
O=C(C[C@@H]1CCCC[C@H]1c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866152277	SHXSTPNZKKNAPW-PMACEKPBSA-N	423.512	5.765	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)cc1	1866289684	LIVUHXYJGOJREB-UHFFFAOYSA-N	422.440	5.573	10	10	HKCE	
Cc1cc(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)ccc1C(C)C	1872853813	OAHRXWGKOCXDFF-UHFFFAOYSA-N	402.538	6.016	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1CC1	2079743474	HBYVZTJCWVVPTN-UHFFFAOYSA-N	403.242	5.419	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2ccc(COc3ccc(F)cc3Cl)o2)SC1=S	2297110692	REOSRIFGXGIUAM-UHFFFAOYSA-N	411.907	5.261	10	10	HKCE	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1ccc(Cl)cc1Cl	2313504843	LECCXAHNQMHKQR-UHFFFAOYSA-N	421.152	5.495	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c(C)c1	2313513898	FDUSZKQFUUNXIT-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CCOc1ccc(-c2c(C)sc(NC(=O)C=Cc3ccccc3)c2C(=O)OC)cc1	2314754536	UZKRIOOJDRKGAR-UHFFFAOYSA-N	421.518	5.561	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(F)cccc1Cl	2332100224	XMGSMSAEUOXCPQ-UHFFFAOYSA-N	421.697	5.828	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113678	WRZXWJNHSFHXBA-UHFFFAOYSA-N	420.512	6.588	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134451	ZLDGBVLPFFUHIG-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3ccccc3OC)C3CCCC3)ccc21	3586067	QBCBPNYGARVPDI-UHFFFAOYSA-N	423.626	5.609	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)ccc(Cl)c4[C@H]4C=CC[C@@H]43)ccc21	13642750	ZOAFEALLCNOUAF-OWOAZTCBSA-N	412.964	7.603	10	10	HKCE	
CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc1	20071053	PJJBDLPWNGRRFT-PXDATVDWSA-N	416.477	5.042	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20750363	RMIIIRIHOODEPM-SXMMONRFSA-N	422.355	7.399	10	10	HKCE	
CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1	33442796	SWNRIPMUYVTBDB-QNGOZBTKSA-N	420.534	5.999	10	10	HKCE	
Brc1ccc(NCc2ccc(N3CCCC3)cc2)c(Br)c1	37278751	JBXHLBQGTJJKGU-UHFFFAOYSA-N	410.153	5.424	10	10	HKCE	
Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1	40570576	KGDHANHWRSZPPW-HAHDFKILSA-N	423.541	6.055	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cc(Cl)cc(Cl)c3)c3ccccn3)c(O)c2n1	54621560	KTEFMIMVOXPYNX-NRFANRHFSA-N	410.304	6.152	10	10	HKCE	
[N-]=[N+]=NCCCOc1c(Br)cc(Br)cc1Br	71108236	VUQYGZMRIFJGRZ-UHFFFAOYSA-N	413.895	5.053	10	10	HKCE	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	98031542	ZAZGSLHWCOKTRH-AAWPKVBNSA-N	424.330	5.021	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226711456	QEWRVFWFWQGRLE-XQBPLPMBSA-N	416.974	5.197	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2c[nH]c4ccccc24)N3)CC1	226878552	SYXCZHQYQPVZED-DYRZZGSRSA-N	411.549	5.867	10	10	HKCE	
Oc1c(Br)cccc1CNc1cccc2cc(Br)cnc12	227851065	YCXALGCBOUDGCA-UHFFFAOYSA-N	408.093	5.078	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2cccc(NCc3cccc(Br)c3O)c2C1	695474043	MVPUNWOTSFUFNT-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
CC(C)(C)c1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	1860483430	SINBQDSVNWCQLF-ZQHSETAFSA-N	412.581	6.390	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664877	PKRGCIKPMMRHPF-KPKJPENVSA-N	414.119	6.496	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	1865668304	QLROZPIEINVHIJ-XSFVSMFZSA-N	413.315	5.434	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cccc1OC	1865668600	HDTCITBIRCSSCV-LTGZKZEYSA-N	406.526	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2ccccn2)sc(C)c1-c1ccc(C)cc1	1866164177	RKOUDLJNWWRYOZ-OAHLLOKOSA-N	408.523	5.346	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccccc4F)ccc3[nH]2)cc1	1872734685	SHTUCNDADRCDON-UHFFFAOYSA-N	402.473	5.468	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1Br	1915451137	QLYYJFAFYBGAAA-YJBOKZPZSA-N	404.348	5.077	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)F)c(CO)c2Br)C(C)(C)C)cc1C	2079847163	OOHBUPFRIZVBHD-OAHLLOKOSA-N	417.294	5.033	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1	2321653483	GDXALLISFWJIBD-UHFFFAOYSA-N	411.548	5.161	10	10	HKCE	
CC[C@@H](C)N(C(=O)C=Cc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	2329725985	SDBAWTCUJAFXGE-GOSISDBHSA-N	409.485	5.307	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116456	PZZASWMVJCSSFF-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC	2332124546	NJRMZBGRQDVCRU-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21	13637473	HCRZMJVSKRJNSX-FBLLAGFSSA-N	410.517	5.491	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640655	QROANNOMOQOTJM-IMWIBFENSA-N	408.542	5.385	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460244	QPYZHBRTJLMRHX-SXWKCWPCSA-N	400.909	6.419	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14462012	GBHQWQRRVLANQX-QRXMYIDTSA-N	418.581	5.917	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469636	XBVQSGUNIZXRPB-VRUMLPLGSA-N	412.489	6.309	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14471600	XUEBTWSKQGHHBN-MPGHIAIKSA-N	418.234	5.026	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550508	UVMCKCDLPVBDBU-DPZBCOQUSA-N	411.545	6.533	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccccc1-c1ccccc1	17089133	ZPFGBPRVILDLOG-XQNSMLJCSA-N	412.449	5.370	10	10	HKCE	
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccc(Cl)c1	40940120	XDAMHLHIQWZVGH-PDGQHHTCSA-N	424.934	5.039	10	10	HKCE	
COc1cc(Cl)cc(/C=C2/SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1OC	96835997	AJWGMJOUWQPKBM-CXUHLZMHSA-N	423.321	5.117	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	111442433	DZMZLYGUBYBUBG-XLGIIRLISA-N	401.937	7.054	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226892060	SHWBITLIHFGLDY-PZPWOCDFSA-N	417.336	5.196	10	10	HKCE	
Clc1ccc(N=Nc2ccc(NCCCN3CCCCC3)c3c2CCCC3)cc1	255967760	CSHZDAXDYRNRJU-UHFFFAOYSA-N	410.993	6.922	10	10	HKCE	
COc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526217817	AVPUVTZJJJUCJW-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1cccc2ccccc12	526358938	DAZHSBDWSKTGDC-QFIPXVFZSA-N	415.470	5.370	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H]4CCCC[C@H]4C)C3=O)n12	1858589949	QLRQWGXMGWJMIM-QXXCSVSMSA-N	412.005	5.138	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1CC	1865674524	KAQKYVNFYVRWST-NBVRZTHBSA-N	413.315	5.434	10	10	HKCE	
CCCSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1865763838	IPVHVBRQXDXSTN-UHFFFAOYSA-N	401.487	5.216	10	10	HKCE	
CCCOc1ccc(-c2nc3cc(C(=O)Nc4cccc(N(C)C)c4)ccc3[nH]2)cc1	1872737993	OQPWQVSXYUVFFG-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(F)cc(F)c1	1891933761	WHGZWURCGXCNEU-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CC(C)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	2034697220	ZQWAJGPSNSNKGC-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1	2042450640	FVKGCWMOYXCRDE-UHFFFAOYSA-N	414.964	5.869	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(Br)cc2Cl)c1O	2236051587	VKXBFPNRLZFKIQ-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
COc1ccc(Br)cc1C=C1SC(=S)N(c2cccc(C)c2)C1=O	2297356708	WHCMWOVWFKNZQD-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1	2297357274	IEIMQIVWYRUZIA-UHFFFAOYSA-N	421.499	5.359	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1	2297470342	ZWMDWEQEVDLIAG-UHFFFAOYSA-N	419.554	5.130	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672390	HARBCBXECHCDDN-UHFFFAOYSA-N	424.497	6.114	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323791169	WVXAFGVOORMZFS-IINYFYTJSA-N	414.365	5.368	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129783	NUJJBRJRACJOLM-UHFFFAOYSA-N	417.278	5.183	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332140948	ZIDBAISUVRKKHW-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1C	6755315	IFOXNHPJHICKDL-HMAPJEAMSA-N	418.587	6.117	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(O)cc2)[C@H]2CC=C[C@H]32)cc1C	13637579	OMDUBRZPWRARLR-HWBMXIPRSA-N	410.517	6.088	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13638062	OHXZXDNQUDFJJF-WRALFONMSA-N	410.517	5.885	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456902	QCBFEJJPBXXSJE-UZINWLIJSA-N	414.574	6.454	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457940	HJCSCNGVPBNESZ-CIXCFARBSA-N	414.593	6.310	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461109	CJTBZUZERBEJAZ-GSHUGGBRSA-N	414.343	6.160	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465720	VLOOWOKFVYTCRE-LGVFNWMJSA-N	423.988	5.238	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475528	ABNFYAWBNYOQCM-DFIYOIEZSA-N	416.952	7.058	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14476126	FOCDJZBLCJDQSN-JXQFQVJHSA-N	414.461	5.706	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476659	NCSSTFURASOIHI-UXWDXCIHSA-N	411.545	6.879	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549356	CYROTHFZIWPZTI-BEYSDYMESA-N	405.541	7.607	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550353	KVFLPZJBNIIORJ-SHWFOLOFSA-N	424.544	6.013	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCCCC1	20698846	UQANYFYTXAXGFD-WHSBFGAESA-N	408.545	6.292	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCCCC1	20705238	BXZAJAAGQWUZIN-WOIUINJBSA-N	403.482	5.047	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226877489	WOTIECYRRABEPG-SWYRRKHMSA-N	413.517	6.242	10	10	HKCE	
CC(=O)Nc1ccc(Nc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1	606521046	VWDGUPKIGZINGO-UHFFFAOYSA-N	420.385	5.620	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1	1860084934	ZHUQUKSRTPQZPL-VGOFMYFVSA-N	419.984	5.380	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC	1860086551	PUJBDQJKOJQWTD-VCHYOVAHSA-N	419.955	5.462	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1	1865666087	CAMXZSOLMQNYBC-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
CCCN1N=C(CC)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O	1865672843	NLJKYXXSIXUPME-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CN1CCCc2cc([C@H](O)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999521383	LVMOSHQNMWYJBX-XMMPIXPASA-N	424.585	5.320	10	10	HKCE	
Brc1cc(CNC2CC2)ccc1N(Cc1ccccc1)CC1CCCC1	2095846128	ZBSUJIJKOLLMGN-UHFFFAOYSA-N	413.403	5.898	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2231472741	XATAFYBCJUZSTB-GOSISDBHSA-N	415.419	6.286	10	10	HKCE	
C[C@H](NCc1ccc(N(C)C)cc1)c1cc(Br)c(Br)s1	2281264552	VTJHKOZFXBKBLV-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323802574	HTDCXMQBBMOGFM-UHFFFAOYSA-N	402.412	6.409	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12	2332132590	PSRUDEBTIQQYKZ-UHFFFAOYSA-N	419.484	5.620	10	10	HKCE	
CC(C)CN1N=C(C(F)(F)F)C(=Cc2cccc(OCc3ccccc3)c2)C1=O	2332141286	OFUVOJJKNAXZSC-UHFFFAOYSA-N	402.416	5.066	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546129	KJMWDFQDCCOZJA-LZCXECNNSA-N	424.544	5.494	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(/C=C1/SC(=S)N(Cc3ccc(C)cc3)C1=O)=C2	33523522	CGILGKSDVPMYMO-SLDJAQPHSA-N	423.559	5.112	10	10	HKCE	
CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2O)N1	53364839	KZCJJZRQAGPNKE-RDGATRHJSA-N	402.494	5.022	10	10	HKCE	
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	59522471	YCOTWDGYDVNNCY-BYYHNAKLSA-N	400.482	6.339	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cccc(C)c3C)C2=O)cc1	108543592	IZKQCWADKOWRFD-STZFKDTASA-N	409.555	5.256	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226709917	BMIDJRUACMOEJU-CERRFVOPSA-N	418.625	7.318	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226860043	MSUYQDTUYGTWJC-UMFSSWHCSA-N	416.565	5.928	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2c(O)cccc2O)c(Br)c1	235220079	LGIOPXANAYGZAC-SECBINFHSA-N	401.098	5.104	10	10	HKCE	
CN(Cc1ccc(NCc2cccc(Br)c2O)cc1)C(=O)OC(C)(C)C	312108716	XYVGDGUHCWDNNO-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526171797	KSRQXRQBSLPIKU-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)cc1	1860086103	KDWOAUFYWHTMDC-DEDYPNTBSA-N	413.564	5.526	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087240	JNKCKRRRXGLJSQ-LDADJPATSA-N	415.461	6.264	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865656585	MIKOUKACKFOXDF-ZHZULCJRSA-N	407.300	5.824	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	1915424686	ZXAQVZWNDNMXOA-FQEVSTJZSA-N	419.407	5.115	10	10	HKCE	
Oc1ccc(Br)cc1Cn1nc(C2CCCCC2)cc1Br	2070051948	PSWSWPUDMRPFPY-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
CC1(c2nn(Cc3cccc(Br)c3O)c(Cl)c2C(F)(F)F)CC1	2079698841	XWDLBGOZWAXWOZ-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(CN)c2Br)C(C)(C)C)cc1C	2079957163	NLYRYPAGBASWPU-SFHVURJKSA-N	408.384	5.186	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2231471919	MHTPALJFBIAQTF-RTBURBONSA-N	417.435	6.388	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCCc2ccccc2)c(OC)c1	2332113544	HRPBGCDSHICEJB-UHFFFAOYSA-N	406.526	5.108	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccc(C)c2)cc1	2332141287	RBWQVBLRTQYHNA-UHFFFAOYSA-N	418.496	5.991	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20754820	DYZKMTHQMWCNJX-OTNCWRBYSA-N	412.508	6.319	10	10	HKCE	
CN(C)c1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1	35385775	YJXSVVJXMDQNKF-JEOMXEOWSA-N	410.565	5.839	10	10	HKCE	
COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)c1	53363364	HDMHDSOWALSSLN-XUZZJYLKSA-N	422.912	5.285	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	96505398	XFECHPHXYMADSQ-RCCKNPSSSA-N	419.527	5.893	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226676368	UKWZKPUKLYSSHP-WKCDTRDRSA-N	417.597	5.888	10	10	HKCE	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1N=Nc1cccc(Cl)c1C	252595377	CAMUYSQHAZHQDP-SFHVURJKSA-N	409.902	5.647	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	384076413	SDBRCNCHXAYDAP-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526320330	MPXFNXIMUMLQQX-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2Cl)cc1	526588427	VZCWDMPDLJNHCR-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2cscc2Br)c(Br)c1	710025624	CVFNIROCFWRPSS-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccc(Cl)cc1Br	715721946	QDSHQIICIFAVNO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCCCN(N=Nc1ccc(Br)cc1)c1ccc(Br)cc1	1084569464	HQGSHWFVGBEXHD-UHFFFAOYSA-N	411.141	6.517	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCCCC1	1858586601	QPERJPNYCWXXIJ-MHWRWJLKSA-N	400.396	6.308	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(C)cc3C)C1=O)cn2C	1860084742	HIWZGMREWCEFAL-KEBDBYFISA-N	408.548	5.210	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656577	LVUINAKUMWFGEL-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccc(C)cc1	1865666333	KLWYCOBOWLGFPF-LPYMAVHISA-N	406.526	5.230	10	10	HKCE	
CCN1CCc2cc([C@@H](O)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999512807	UXJGTABJLHXOLB-DEOSSOPVSA-N	424.585	5.320	10	10	HKCE	
C[C@H](N)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	2077052324	QRWWBZGCGOOOTR-KKSFZXQISA-N	403.364	5.045	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100209851	HFYXUNHVIJVENQ-FGZHOGPDSA-N	417.391	5.131	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(Cl)cc3)c2)SC1=S	2295452468	VNVCMNOIPHZJDR-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296537476	PWOYDLJOSWPTGW-UHFFFAOYSA-N	405.548	5.151	10	10	HKCE	
O=C1C(=Cc2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1	2297350065	RJIJODURQWVKOA-UHFFFAOYSA-N	409.557	5.978	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1	2314736888	ZVTBAWURIHCGLO-UHFFFAOYSA-N	419.527	5.422	10	10	HKCE	
CC(C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1	6307270	OCSCSIHQEAMELV-OCOZRVBESA-N	423.538	5.752	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466265	DUSZQANIBSFKCJ-ACTFIFLWSA-N	408.929	5.075	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14480505	LOAPUCDWDTUTHQ-QKLQHJQFSA-N	417.290	5.516	10	10	HKCE	
Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1	33154958	LCRDUZVJATUUOO-STZFKDTASA-N	404.560	5.496	10	10	HKCE	
CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S	33703097	JIPPAEVWQVQEGO-XOLQDACBSA-N	423.559	5.307	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226840841	DGOUZPYNMYLWSD-MCFFVMPBSA-N	415.364	6.302	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2c(Br)cccc2Br)c1	232119231	DXWLKHPJMOLSSM-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C)cc2)c1O	254699092	NKQREZJPIIPEKP-UHFFFAOYSA-N	411.461	6.530	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1	526245371	DKKLRFZEEXXQAC-QFIPXVFZSA-N	404.535	5.488	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NC4CCCCCC4)ccc3[nH]2)cc1	1872734896	XAJUTRMPAURTDT-UHFFFAOYSA-N	404.558	5.529	10	10	HKCE	
C[C@H]1[C@@H](Nc2c(N)cccc2Br)CC(C)(C)CN1Cc1ccccc1	1916232937	CZAIMJXGQNULBX-KXBFYZLASA-N	402.380	5.132	10	10	HKCE	
CC(C=Cc1ccc(N(C)C)cc1)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	2297710483	ZSROSRQGXIHPJY-UHFFFAOYSA-N	423.516	5.077	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2314928333	UDZPTSXWNQZJKY-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113526	FVAXXGIFBSSGRO-UHFFFAOYSA-N	412.533	6.047	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332130734	RTTZJUVDNKDILU-UHFFFAOYSA-N	401.432	5.190	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2CC=C[C@H]32)CC1	13644382	ABMUIXYJEWYBFJ-FBLLAGFSSA-N	415.581	5.451	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644755	BYQLXYQTNLDCAL-VBOOUTDYSA-N	424.588	6.591	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548124	DQGXQTXOJSKJAI-AWVRMFGXSA-N	413.561	7.331	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@H]21	14553663	AFHGKOQTMJEKQH-XXAUWVGASA-N	424.544	6.473	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@H]32)cc1	20697514	GOYHTTGLZQDZCM-NOTUOJBMSA-N	417.597	6.344	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=S)o2)cc1	35517307	HKERTOIVAGWYCY-UNOMPAQXSA-N	421.499	5.682	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	1083987673	VXLQSEVKBQRLNI-RCCKNPSSSA-N	402.544	6.144	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858590891	NAADFMBLOHGQBN-AOHITCTBSA-N	401.519	6.266	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668020	BBLNQVDYSYDSSE-BUVRLJJBSA-N	400.453	5.206	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2231466351	XQXAKYYMFKSCIQ-GOSISDBHSA-N	419.407	5.380	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)cc1[N+](=O)[O-]	2294277084	ZGQHSLSRFVUHQG-UHFFFAOYSA-N	416.864	6.028	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)SC2=S)cc1	2297468005	ACVMLEJIZGSMHC-UHFFFAOYSA-N	421.591	5.430	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	2318756514	OLSVVLAVOWZFOC-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1CCc1c[nH]c2ccccc12	2321621525	UNFVNLDQKJGNSL-UHFFFAOYSA-N	403.532	5.093	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1cccc(OC(F)(F)F)c1	2321734102	CAGQPPDQSXGLDT-UHFFFAOYSA-N	415.845	5.644	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCCc2ccccc2)c(OC)c1	2332113662	UVYWGBLKGYSTLJ-UHFFFAOYSA-N	420.553	5.354	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2CC)cc1OCC	2332113912	XGUYGOCBTRFPPK-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	13638069	OHXZXDNQUDFJJF-SGIRGMQISA-N	410.517	5.885	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456294	STGRKSMFLLSDBK-YDHSSHFGSA-N	422.575	5.684	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14464885	KKAKMUZPCJDASB-MZKRTTBSSA-N	400.909	6.419	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14465244	DJEUISVAOJAKFO-MZKRTTBSSA-N	406.957	6.183	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473279	QJOQQLQXAFOCTC-GSHUGGBRSA-N	414.889	5.490	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475429	IHAOVWDTCDBECA-WWDWLDGVSA-N	417.552	7.288	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14552428	TZSFARIJXVFKBL-WZOHSFFVSA-N	414.936	6.727	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753790	AKLLLLDXVQBUGS-KIBIPHAFSA-N	419.568	7.998	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1	40945520	TXZGOVJJHFJUOS-UHFFFAOYSA-N	400.912	5.418	10	10	HKCE	
CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc4ccccc4c3)sc2C)cc1	41017484	XZHCUGDXPLXGMP-UHFFFAOYSA-N	424.547	5.471	10	10	HKCE	
COc1ccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621715	YXALTMAYQMUFLJ-OAQYLSRUSA-N	410.926	6.174	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1	250497867	BXUUDLPFIBXYFT-UMFSSWHCSA-N	410.517	5.139	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	251301851	BUSPBABKZPLKME-ZZXLPKCMSA-N	419.568	7.997	10	10	HKCE	
Cc1cc(Br)cc(NCc2cc(Cl)cc(Br)c2O)c1	708172353	QBCVPQUNGZHOIS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
COc1ccc(-n2nc(C)c3c(C)cc(=Nc4cc(C(C)C)ccc4O)[nH]c32)cc1	1859863644	MCRQKNCUYVRHDQ-UHFFFAOYSA-N	402.498	5.040	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1	1860084850	QZOQOTHNELKPPG-CXUHLZMHSA-N	422.344	5.556	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c1	1860825239	UYPHGZWZBLWOKC-OVCLIPMQSA-N	424.330	5.093	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)N=C1C(F)(F)F	1865674678	RVMOHQOOTDLWFI-CYVLTUHYSA-N	424.422	5.977	10	10	HKCE	
C[C@H](N)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	2077052321	QRWWBZGCGOOOTR-HRAATJIYSA-N	403.364	5.045	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080031242	ZEUVZPYWUBNTFJ-OAHLLOKOSA-N	416.827	5.054	10	10	HKCE	
COc1ccc(NCN2C(=O)SC(=Cc3ccc(SC)cc3)C2=O)cc1Cl	2297295853	IUSDWJKQOAQDIF-UHFFFAOYSA-N	420.943	5.176	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)cc1OCC	2321606822	CUQGXBUCWTXKOO-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)ccc1O	2332094952	YLLWGMIZELSIPE-UHFFFAOYSA-N	418.880	5.279	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2c(Cl)cccc2Cl)cc1	2332104231	NNSNOSMTXQNYKI-UHFFFAOYSA-N	403.309	5.288	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	2332127597	NNJOIBXWXKZQLO-UHFFFAOYSA-N	413.329	6.198	10	10	HKCE	
O=C1C(=Cc2cccs2)C(c2ccccc2)=NN1c1ccc(Br)cc1	2332127752	FDMNQWOEWCTIJW-UHFFFAOYSA-N	409.308	5.345	10	10	HKCE	
CCOCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	8588400	FSDNWRQCNUFMLM-UHFFFAOYSA-N	416.565	5.570	10	10	HKCE	aggregator
Cc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456620	MYYBWSCEISFWAM-QVNIBDNGSA-N	414.574	6.155	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457899	YXXNFSZDPWHJLW-DCLXLUIPSA-N	410.583	5.127	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471017	CEDREAVASYXIJX-AUSJPIAWSA-N	411.889	5.215	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCOCC1	14475313	CGBWOAKLDFTNJA-SGIRGMQISA-N	410.517	5.139	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550455	SWXCUWASWHVZJF-NLJOTIRTSA-N	413.517	5.980	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2	14552361	OYMPAJUXQZXRTP-OHUGHZGNSA-N	412.489	5.485	10	10	HKCE	
CCOc1c(Cl)cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1Cl	18051847	BVKIVOBTBWPIEX-OCEACIFDSA-N	414.292	7.060	10	10	HKCE	
O=C1N=C(NC2CCCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	20987516	XNPSIFDSQCEHOD-YVLHZVERSA-N	417.874	5.011	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2	226795949	GHYVEBGSMRUQHU-IECBHUPTSA-N	406.526	5.187	10	10	HKCE	
COc1cc(Cl)cc(CNc2cc(Br)ccc2Br)c1O	229050799	IVBKOQLMTYITKD-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
c1ccc(-c2nc3ccccc3n2N=Nn2c(-c3ccccc3)nc3ccccc32)cc1	254379287	PFYYQYPIMPREIC-UHFFFAOYSA-N	414.472	6.399	10	10	HKCE	
CC(C)CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	1081073765	STMKAKGNQXWOIU-RCCKNPSSSA-N	414.461	5.477	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917749	VPKAZYQCZSNTRK-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(O)c(OCC)c1	1865650021	QRGRRIPDONSBLK-HMMYKYKNSA-N	400.478	5.530	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@H](C)O)cc2Br)c1Br	2157012689	OKTFAPMVGGBWQS-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
COC(=O)c1cc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl	2297296492	GJIZECYHRGKBFW-UHFFFAOYSA-N	420.852	5.193	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2297296667	ZUPIMXQEABUXKY-UHFFFAOYSA-N	410.098	5.562	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O	2313609765	MSOVESRAFXSSLC-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
CC(NCc1ccccc1Cl)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682573	GGUPZAQIURMHKF-UHFFFAOYSA-N	419.887	5.294	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1	2321601617	YOGTZEHOJBXABJ-UHFFFAOYSA-N	416.999	5.900	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	2321672158	WDRNBNFQHFZRRM-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@H]3C)cc1)CC[C@H](C)C2	6877987	HULANHNBNWIAED-PCCBWWKXSA-N	421.629	5.293	10	10	HKCE	
COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(=O)O)c(N)c23)cc1	7275891	UYWHYVAXCLEZLO-UHFFFAOYSA-N	410.882	5.573	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(OC)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13636240	OZGIEGSFSJTDEF-JCYRPKCISA-N	424.544	6.188	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476319	NHBQZWSNVHRRKJ-NDIVSWGXSA-N	424.588	6.938	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	14553652	XHKKCMFPTRFMBZ-XFAFFCHDSA-N	424.544	6.473	10	10	HKCE	
Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2ccc(F)cc2)CC1	15001789	JUEYBBGFYRJQSJ-UHFFFAOYSA-N	419.525	5.130	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	20703223	CUGCSBMTGUAMIL-VVZHRXSXSA-N	413.517	6.109	10	10	HKCE	
COc1ccc(-n2c(CCC(=O)N3CCCC3)ccc2-c2ccc(Cl)cc2)cc1	23328006	IOBSYSOVLIODAQ-UHFFFAOYSA-N	408.929	5.361	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3Cl)c3cccnc3)c(O)c2n1	54621901	KGYAFYAGFPPHBC-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1	245241326	AFLVJSJCGOFTTI-NBKDYTBHSA-N	407.642	6.540	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1C[C@H]1c1ccccc1F	253615895	KOWVPEUFOVWSBP-VVZHRXSXSA-N	411.476	5.694	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(C)CCOCc2ccccc2)c(Br)c1	384006242	IPSDKTBFHYQCJT-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(Br)cc2O)cc1	702246906	PILZBESEHAKKRG-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	1865656458	LIYRJLJJSXRLJQ-SFQUDFHCSA-N	403.707	5.689	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678914	KQEVBJMIQAZORB-SFQUDFHCSA-N	406.835	5.941	10	10	HKCE	
COC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc(C)c1-c1ccc(C)cc1	1866029646	YLYTUUUZQOWFIV-UHFFFAOYSA-N	406.718	5.127	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1	1874143467	YABVRVBUHODICY-UHFFFAOYSA-N	412.489	6.147	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(SC(F)(F)F)c1	1891180750	BNMZVQJUILUQJS-YJBOKZPZSA-N	406.473	5.217	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100209000	ZCBQOQLTLISHSO-HVETUWLQSA-N	417.391	5.304	10	10	HKCE	
Fc1cccc(Cl)c1COc1ccc(-c2ccccc2)cc1/N=N/c1ccccc1	2295356029	GAAMTCNRBNIWKY-ZQHSETAFSA-N	416.883	8.141	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1	2297349922	BXBQXPJUUPMWOQ-UHFFFAOYSA-N	415.927	5.392	10	10	HKCE	
Cc1cc(I)ccc1N=NN1CCC(Cc2ccccc2)CC1	2330234571	YXNNDWIVPHBADD-UHFFFAOYSA-N	419.310	5.553	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F	2332133171	KIWMFQSILRHLQG-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccc(Br)cc3)C2=O)cc1	2332147491	HERKQTPKYNFCEO-UHFFFAOYSA-N	423.232	5.102	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1Cl	1416436	XPISLJXRGHGYRZ-NVMNQCDNSA-N	414.939	5.246	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14456238	UNAMWONNGGPHSI-MIZPHKNDSA-N	400.547	6.160	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456752	WJYWLUYGTGOBNB-QVNIBDNGSA-N	403.547	6.341	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459109	NKAQBMVZHMVXCT-JXQFQVJHSA-N	418.537	5.290	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546311	ACEBKECZKZZDAW-ISJBWFOZSA-N	413.517	5.980	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20753157	RWGVGDJHGGLJTA-NRYAXDJKSA-N	400.547	6.241	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753362	KBPHXYMUPXMJSX-YPCDYVTLSA-N	416.351	8.126	10	10	HKCE	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)o1	59425814	SQNOVBQXDGTWDF-WJDWOHSUSA-N	403.390	5.153	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	251302996	BXOAHSOVSPWXLQ-SEYDDUDXSA-N	406.526	5.059	10	10	HKCE	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1N=Nc1c(C)cc(C)cc1C	252616704	KDZVRELIPGFOLP-FQEVSTJZSA-N	403.511	5.610	10	10	HKCE	
CCCN[C@H](C)c1ccc(N2CC[C@H](OCc3ccccc3)C2)c(Br)c1	384106560	DPQDGCNULSXYGS-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2	1073602547	QVQLTGLMGZMBNW-FUHIMQAGSA-N	413.926	5.359	10	10	HKCE	
CC[n+]1c(/C=C2/C=Cc3ccccc3N2C)sc2cc(Cc3ccccc3)ccc21	1614351562	CNLOXQPRGGSACZ-UHFFFAOYSA-N	409.578	6.304	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	1860084364	UOKHILBDRYLGMQ-LICLKQGHSA-N	418.927	5.777	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	1860086302	WZUZZXMQIKEIJI-WOJGMQOQSA-N	403.956	5.781	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664591	GXKFCGUAKIPCLV-UKTHLTGXSA-N	410.098	5.562	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1OC	1865673054	SAUDYJJHLUIYBY-ZHZULCJRSA-N	418.880	5.192	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc3[nH]2)cc1	1872734163	GRIZDYMPGZIWTM-UHFFFAOYSA-N	412.537	5.945	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cc(F)ccc4F)ccc3[nH]2)cc1	1872736401	KBLCECBQFANRAJ-UHFFFAOYSA-N	420.463	5.607	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c1	1872830667	DTCBPEAMYPDUJJ-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2034812773	FVKLKCKCETYRAG-GOSISDBHSA-N	403.408	5.998	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2095840346	WKBKNAYNRVMCLQ-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@H](C)O)c(Br)c2)c1Br	2157011984	DBTJQOJACIXKLY-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2297297016	DSQBBSWFDORXBA-UHFFFAOYSA-N	422.311	6.473	10	10	HKCE	
CCCCc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2C)cc1	5191160	WALDZRCQEHQTMZ-XHPQRKPJSA-N	422.572	6.789	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1c(C)cc(C)cc1C)[C@H]1CC=C[C@H]21	14458079	TYAJLGVCGXSBFG-FZOAFFARSA-N	404.554	5.205	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccccc3OCc3ccccc3)[C@H]2C1	14476289	VTABQKHHIQUBMM-NDIVSWGXSA-N	403.525	7.245	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712451	OLKRQNQNWYLUQD-SXGZJXTBSA-N	415.364	6.348	10	10	HKCE	
COc1ccc([C@@H](C)Nc2cc(Br)ccc2Br)c(O)c1	37121462	DNTSPIJJZOKNQD-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54620213	LEEYPPLUXJPMEL-XMMPIXPASA-N	402.494	6.222	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4c[nH]c5ccc(OC)cc45)c2c1N)CCCC3	96586996	RQLUXYKYIDTIFZ-UHFFFAOYSA-N	421.522	5.091	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)ccc1O	226669159	PIBJICWAZQDVHB-IMWIBFENSA-N	418.537	5.244	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226689065	DOHASHBYCPGDRI-WWPJHQMMSA-N	424.588	6.938	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226713333	GTFSXTJKNIFVPV-GJLBYMJHSA-N	416.974	5.243	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860073624	YTVGBAHDMTYIDH-OQLLNIDSSA-N	413.873	6.073	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1	1860076486	CQNOGOUCILTMRX-OQKWZONESA-N	424.635	6.281	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2ccccc2)cc1	1865649957	NPNOPXGAQDFKAW-CPNJWEJPSA-N	423.299	5.837	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	1865664610	VCIIMTWEEQBFPO-XSFVSMFZSA-N	411.343	6.159	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668931	XHQGDMUIWDQEQH-HAVVHWLPSA-N	411.505	5.555	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	1865669551	QCMNYPFKOJBWCH-FYJGNVAPSA-N	406.526	5.230	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865674512	JPDGZWKGESTMRI-CJLVFECKSA-N	416.908	6.115	10	10	HKCE	
Cc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1Cl	1872738860	XMLPRJYIMIBIED-UHFFFAOYSA-N	404.901	5.510	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)cc1C	2079952380	HPQULFYXQRHEIO-QGZVFWFLSA-N	423.351	5.425	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3)SC2=S)cc1	2296808141	XBGAYQCVTLVFGI-UHFFFAOYSA-N	412.580	5.337	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1ccc(N2CCCC2)cc1	2321698172	XUQSGQFTKRENSE-UHFFFAOYSA-N	416.571	5.846	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c1	2321698359	QXISZGYHQMKQOV-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323680922	WUQBENFRABTNAE-JUFZMCDQSA-N	412.407	6.019	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113597	NGEIJSBFBAZNEY-UHFFFAOYSA-N	418.924	6.084	10	10	HKCE	
Cc1ccc(CNc2c(Cl)cc(F)cc2Br)c(O)c1Br	2380801303	QSQUGXZSQOZIJM-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467813	VHPRHOJUCROLQN-AUSJPIAWSA-N	420.336	5.941	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469818	ABOCIAODVGAOTG-MZLICYQSSA-N	422.355	7.399	10	10	HKCE	
Cc1cccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1	33844387	DUNQBXXZZRRJCW-NVNXTCNLSA-N	408.331	5.343	10	10	HKCE	
N=C1/C(=C\c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=CN12	104688549	OXJLNFSJIQYGLT-UWRFPUSRSA-N	401.900	5.002	10	10	HKCE	
S=C(NCc1ncccc1Br)Nc1ccc(Oc2ccccc2)cc1	244270903	WOHYDXSTFDSVFA-UHFFFAOYSA-N	414.328	5.123	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526254755	WCLBPIODKLDNOB-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2sccc2C)cc1	1865670575	GYGMOJSQORSUQM-HYARGMPZSA-N	416.546	5.512	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2CC)cc1OC	1865671225	RCEOEONAJYRFPE-SAPNQHFASA-N	412.917	5.724	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C)c2N)sc(C)c1-c1ccc(C)c(C)c1	1866160472	BVQAQILKGGDJQK-UHFFFAOYSA-N	408.523	5.270	10	10	HKCE	
Cc1nn(-c2ccccc2)c(Cl)c1C=C1CCn2c1nc1ccc(Cl)cc1c2=O	2040454298	OCDOWIKVTTXYKK-UHFFFAOYSA-N	423.303	5.142	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323681525	WUEDWMLHHBRXMF-AOLWHUPESA-N	411.514	5.731	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc(Cl)ccc2O)cc1	2332107667	SIMFNGNHWMPOMA-UHFFFAOYSA-N	418.880	5.197	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Br)cc1	2332147811	ZGCWNAAXEQPOMY-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457932	IKASJYSGVVVSLA-CIXCFARBSA-N	414.593	6.455	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468090	DWLCVBIWVQVDOU-CKFHNAJUSA-N	403.309	5.275	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(OCC)cc1)N2	14543694	OIHLEHHHXFHCFX-IXFSTUDKSA-N	410.945	6.304	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	33657644	UJZDOKLZHIVIGT-JASJWYONSA-N	404.354	5.412	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cc(Cl)cc(Cl)c3)c3cccs3)c(O)c2n1	54621574	IHINIKPZRQWVEE-FQEVSTJZSA-N	415.345	6.819	10	10	HKCE	
O=C1/C(=C\c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1	96482023	RJIJODURQWVKOA-QGOAFFKASA-N	409.557	5.978	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NC(=S)N[C@H]3c2ccc(N(C)C)cc2)cc1	105440411	SFNLJAGCGHRUKI-MMWPRLKQSA-N	418.610	5.073	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226655002	KUUYJENNJIXDGO-UWDQQESISA-N	401.575	6.895	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226705372	FXYJSHWHXFSUGX-ZOCZFRKYSA-N	400.316	5.770	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226846626	HHZJDLAONFMQBC-INNMJMHTSA-N	424.588	6.929	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2cscc2Br)cc1Br	710026092	GRVMBNFUSQNLFV-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1cccc(OC(F)(F)F)c1	1860087815	VGHCCYXYFBRLDQ-MKMNVTDBSA-N	417.380	5.269	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc(C)c1-c1ccc(C)c(C)c1	1865948931	BEMCZOFXGCVLNY-UHFFFAOYSA-N	407.535	5.996	10	10	HKCE	
CC[C@@H](NCc1sc(C)cc1Br)c1cc(Br)ccc1O	2237680890	SUNWBTVROAUCHV-CYBMUJFWSA-N	419.182	5.528	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1C	2321596601	ALNUIFIJFKUTAN-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321604239	BJSUGUKKFSOGFG-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3cc(C)cc(C)c3)C1=O)cn2C	2321663999	GNKNKXNTKWXFGD-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323681527	WUEDWMLHHBRXMF-DSRCVFDASA-N	411.514	5.731	10	10	HKCE	
O=[N+]([O-])c1cccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	2330231170	CVONXOAWMPSMLB-UHFFFAOYSA-N	401.470	5.001	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OC)c1	2332106562	HLHGJAFGKZIJLX-UHFFFAOYSA-N	412.489	5.470	10	10	HKCE	
CCOCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782042	WISSGHMSMTUEHW-UHFFFAOYSA-N	402.538	5.180	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463234	LXYMTCUVSMTCEO-HFASVGIHSA-N	409.573	7.258	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1	14477770	VIWNLFWXPPOPLO-GLDPYIMESA-N	422.355	7.399	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCC)cc1)N2	14543690	OIHLEHHHXFHCFX-BSRJHKFKSA-N	410.945	6.304	10	10	HKCE	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccccc1Sc1ccccc1	17091097	YFDTXJKCFGTSPF-XQNSMLJCSA-N	417.509	6.086	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N12	49589735	MOMZRWCSQPMYTR-GICBFTDPSA-N	409.898	5.086	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620444	CVVBYERYXTYFQK-QFIPXVFZSA-N	418.518	5.769	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526323440	OZRMEQXOANSMKW-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
Cc1c(NCc2cc(Br)cc(F)c2O)ccc(Br)c1F	715819118	SZDRAUNYKIIAIS-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CC1CCN(c2ccc(NN=NC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1	1860493051	UZVXPXQAZSOSFP-UHFFFAOYSA-N	401.555	5.102	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	1865659007	YGEMSGNXUMYXSC-ATVHPVEESA-N	404.407	5.467	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676964	UHAYKZCORJUHSV-HAVVHWLPSA-N	411.505	5.555	10	10	HKCE	
Cc1cc(C)cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1	1891910531	NRWQHDWOZDBWCI-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
C[C@H](O)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1990408121	XIHCAMWXYTWNME-IBGZPJMESA-N	410.508	5.157	10	10	HKCE	
CCc1nn(Cc2cc(Br)ccc2O)c(Br)c1C(C)(C)C	2079616951	XZKVYDADOQCONP-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@@H](C)O)cc2Br)c1Br	2157012690	OKTFAPMVGGBWQS-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1	2296683338	IHVLDDKYAGWRGT-UHFFFAOYSA-N	413.564	5.274	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1CNc1ccc(-c2ccccc2)cc1	2296733617	GYQBIZOMCSMNEC-UHFFFAOYSA-N	420.534	5.764	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1	2318683696	QKNUQVIHDAILMH-FQEVSTJZSA-N	408.592	5.033	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c[nH]c2ccccc12	2332128107	REXPNHCRXWFTJI-UHFFFAOYSA-N	408.299	5.517	10	10	HKCE	
C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737885	ZGLZRVMECBNBCT-IAGOWNOFSA-N	415.537	5.512	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640675	OWFLNCQFUNDERZ-BXTJHSDWSA-N	416.315	5.301	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459341	VXTSSIMMENZDSL-XXAUWVGASA-N	419.565	6.577	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463334	ROJNRYBHCISAJD-HFASVGIHSA-N	415.621	7.986	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)c1ccccc1	14464725	CJCXXJDDDJJALQ-AGJHTDJMSA-N	416.524	6.919	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14465249	MYEXDFUMCNPYMS-YZUZCNPQSA-N	420.984	6.571	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476391	HIBPMWQPQLGAGG-CUVVAGTFSA-N	412.489	6.309	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	1860074883	WUVTZSOQYSDRGI-LICLKQGHSA-N	423.481	5.898	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076521	HGMPOLLRLQTXKL-MKMNVTDBSA-N	402.274	5.677	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865664745	XBQHNDWXHARQCT-WQRHYEAKSA-N	400.787	5.842	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC(C)C	1865676746	NYMQPEQZUSGHAR-GZTJUZNOSA-N	403.309	5.582	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3c3ccccc3)cc2)cc1	1866152723	ZNBAKMUVQCGUDG-NBGIEHNGSA-N	400.522	6.364	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079063183	CUFUFPFOGXVDOW-AWEZNQCLSA-N	401.251	5.045	10	10	HKCE	
Oc1cccc(Br)c1CNc1ccc(Br)c(Cl)c1F	2092325504	WPIIZURVBHHRCO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@H](C)O)cc2Br)sc1Br	2202299243	YZOZSCCCDQUCNG-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N12	2297314578	PVDWRNZWQXGLSZ-UHFFFAOYSA-N	423.925	5.394	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1	2313510549	QMFCKMGDCNIFGI-UHFFFAOYSA-N	413.256	6.243	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321570021	WKCBOBPJHLJJRL-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104642	BGKOLNZOKKZUMJ-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104859	YURDAJSRIOYVBH-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2CCC)cc1	2332116691	QCLDNMJBYJIYAY-UHFFFAOYSA-N	410.945	6.495	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc1	2332119646	ZKVMPSJQCMMIRL-UHFFFAOYSA-N	424.544	5.922	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2cc(C)ccc2C)N=C1c1ccccc1	2332133110	DXKAPHHJBKWKCC-UHFFFAOYSA-N	424.544	5.922	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccccc2Cl)[C@H]2CC=C[C@H]32)CC1	14466310	GVBGNUHJUORRMF-IUKKYPGJSA-N	406.957	6.039	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1	33786680	DVAALLJALCBZIO-MPZUNYIRSA-N	419.554	5.068	10	10	HKCE	
CN(C)c1ccc(/C=C2/CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1	35569182	QXHPWHWYTHANQF-QQTULTPQSA-N	416.568	7.359	10	10	HKCE	
Cc1ccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621428	LYPBNPLFXCKZPQ-NRFANRHFSA-N	405.479	5.728	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1C	526251298	NKCJYJAHWOGWAM-QFIPXVFZSA-N	404.535	5.488	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1Cc1ccc(Cl)cc1	1858590805	JYOKQZMRXCCFHY-OQLLNIDSSA-N	424.772	5.504	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1OCC	1865666940	WDLIJKFHHCJXKF-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	1865674751	WXSSVSXFSMAFEC-LFVJCYFKSA-N	412.533	6.066	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2095843907	UMIVPIILBQBINK-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
CN(CCCOCc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231460955	MANKBWKSUGXZKT-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	2297344939	ZSIWITYVDAUYPS-UHFFFAOYSA-N	419.955	5.115	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	2321596620	YCGWDLUMSAMPGA-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cccc1OC	2332118349	BCACAXZLJIRGES-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccccc3OC(C)C)C2=O)c1	2332133698	PIDRCRVNMHSCQB-UHFFFAOYSA-N	424.544	5.921	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2	13636566	VGMDCEFCTYHCAV-HFMPRLQTSA-N	418.518	5.020	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463453	IOMDTXAPFMGKGM-DXBVXKBHSA-N	416.609	6.899	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	14478094	NBRUXGAUFBCOTC-IUKKYPGJSA-N	417.509	5.484	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2c[nH]c4ccccc24)N3)c1	14553661	LIFUDCJVGYBSOP-AJFLCOCNSA-N	419.528	6.555	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2ccc(Br)cc2)c(Br)c1	110359225	XMEYVNNOFMESDZ-LBPRGKRZSA-N	412.169	5.128	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226737233	GZXFHBKBZPNCEQ-TYILLQQXSA-N	404.293	5.702	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc(F)c(Cl)c1	526272698	QCUJEZCLSJCCIP-GOSISDBHSA-N	417.845	5.009	10	10	HKCE	
CN1C(=O)/C(=C/c2cc(N=Nc3ccc(Cl)cc3Cl)ccc2O)SC1=S	1084212905	YFMQTDQUERTIMW-JRFBDLGPSA-N	424.334	5.945	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1F	1860084808	MZAZTXJCWKVTRC-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccc(Br)c1	1865656403	IRJWPOJWMPJPEY-LDADJPATSA-N	401.279	5.170	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OCC	1865666352	GZWNWNIVNHBWAO-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCCCc2ccccc2)c(OC)c1	1865671332	WFGYYJJQNGGTLN-CJLVFECKSA-N	420.553	5.354	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c2cccc(Cl)c2n1	1866274453	ZSBCVNMCHLIOHO-UHFFFAOYSA-N	401.897	5.622	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc(CC(C)(C)C)cc3)cc2)c1	1872868984	LRRXUVXPTXLBJI-UHFFFAOYSA-N	416.565	6.173	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br	1915483528	CSLMDFCTECLIMV-KRWDZBQOSA-N	419.407	5.551	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1c(O)c(Cl)cc(Cl)c1Cl	1951594471	GDKUZLWDVFZRSY-JTQLQIEISA-N	412.697	5.173	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cccc(Br)c2O)cc1	2089182578	WGCFLQBEENIAQN-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2scc(Br)c2Br)cc1	2163140398	ITMDFRBFASRUOP-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(C(Cl)=Cc3ccccc3)nc2c1	2297336999	KXGMWIFZFYIXIG-UHFFFAOYSA-N	401.941	7.247	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1Br	2297357122	VCKYHMRACUWEET-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=CC1=Cc2ccccc2O[C@@H]1c1ccccc1	2314433582	PEFXKGUBLCICRS-JOCHJYFZSA-N	402.519	5.203	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1	2314717513	OAXOEWZDYJLHDO-UHFFFAOYSA-N	416.955	5.010	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(N3CCC(C)CC3)cc2)C1=O	2321683284	HHDFIGDUGMLCER-UHFFFAOYSA-N	424.591	5.337	10	10	HKCE	
CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729877	DKEGDMRGWFGUIS-UNMCSNQZSA-N	415.375	5.757	10	10	HKCE	
O=S(=O)(c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)N1CCCCCC1	5739712	DQQJAIIZBJDNSC-WCWDXBQESA-N	409.511	5.526	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(OC(C)C)cccc4[C@H]4C=CC[C@@H]43)ccc21	13643082	PXAVDCLFROYZRL-IKSSWHGMSA-N	422.572	7.428	10	10	HKCE	
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C\c1cn(Cc2ccccc2)c2ccccc12	14130401	JVZITCFEVGOBGJ-CIAFOILYSA-N	418.418	6.201	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14471941	BXZAJAAGQWUZIN-NNMXDRDESA-N	403.482	5.047	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477337	KLPVJHCZDDVZTR-VTJXTGGHSA-N	417.336	5.196	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552304	IOEPFYHSLFMQRX-MZKRTTBSSA-N	408.567	5.001	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cc(Cl)c3ccccc3n2)SC1=S	20414074	VTKQFMHOUIQHIX-CQLSMYGBSA-N	410.951	5.851	10	10	HKCE	
Cc1ccc(C)c(OCCn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)c1	33385503	NWASTWKKYSLWMH-KQWNVCNZSA-N	408.501	5.830	10	10	HKCE	
CN(C)c1ccc(N=Nc2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1	254750916	TWFSHZIONXGODW-UHFFFAOYSA-N	419.492	6.168	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1	526493357	ILPJTZNADSJLIM-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CN1CCCCCC1	1083915947	SPVIAEFLINEPOD-GDNBJRDFSA-N	401.384	5.028	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860086550	PRTKPWICLOXOKK-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2c(Cl)cccc2Cl)cc1	1865664839	NNSNOSMTXQNYKI-GZTJUZNOSA-N	403.309	5.288	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OC	1865669388	KYIDWWVXGIMMCT-HZHRSRAPSA-N	420.553	5.683	10	10	HKCE	
CCN1N=C(C(F)(F)F)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O	1865673938	GCCTZALQLOPEDP-WJDWOHSUSA-N	408.807	5.083	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(C)(C)C)c2)N2CCCCC2)cc1	1866197222	NSRNUENIJOLZIQ-XMMPIXPASA-N	407.602	5.007	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CC2(C1)CC(c1ccccc1)C2	1891329368	YNAYKCCRBCYJTN-KSMPMABVSA-N	400.566	5.266	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	1927022157	RYXMCDPYGXKVQU-GFCCVEGCSA-N	411.329	5.897	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2034826016	CGBAZSBKPGGFCC-GOSISDBHSA-N	403.408	5.998	10	10	HKCE	
Nc1cccc(Br)c1N[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1	2053207307	ZXRXUMBGKJHIGL-QGZVFWFLSA-N	400.364	5.031	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@@H](C)O)cc2Br)s1	2237720265	FLLBRAIUCMKDIO-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(C)cc3C)C2=O)cc1	2313683407	ZEPLAYJYZYYYNP-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323854339	MUXFBIFPXHXLCE-UHFFFAOYSA-N	424.418	6.163	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099259	BQHZIZJOMJWMON-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCN1N=C(C)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O	2332132844	ANLNDFKPVSXSHX-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12	2332133041	WXSSVSXFSMAFEC-UHFFFAOYSA-N	412.533	6.066	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccccc3)N=C2C)c1OCc1cccc(C)c1	2332134154	PVJQYMYKAOTOEZ-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
Cc1ccc(CNc2cccc(Br)c2Cl)c(O)c1Br	2352689596	YRRISYQHOVMZOJ-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccccc1Br	3152716	MNLSJKUCULYCTK-ZROIWOOFSA-N	410.745	5.508	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Cl)cc2)[C@@H]2CC=C[C@H]32)CC1	14465259	WSEDJNUBHVGRLB-MZKRTTBSSA-N	406.957	6.039	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467769	SPLQGUPINNYVCE-WHSLLNHNSA-N	420.336	5.941	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14472613	MFAJCBXGTNEBHS-XLNZFTOWSA-N	417.896	6.818	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20748772	FKOJUUYCKKKXNB-MVOZIGHISA-N	411.545	6.533	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750390	HVCFLPMDYSBMFM-PGKMIFDNSA-N	415.364	6.350	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc([N+](=O)[O-])c1	39372919	YMAYHUSSGGPPNN-JYBIWHBTSA-N	413.477	5.000	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\C(Cl)=C/c3ccccc3)SC2=S)cc1	210165168	OVMFLRGXVDCBHS-KFGDLTOCSA-N	414.939	5.174	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226722656	LWSYTWGCEJMWQK-FKIGELJASA-N	424.588	6.929	10	10	HKCE	
OCCCCCCOc1ccc(N=Nc2ccc(OCCCCCCO)cc2)cc1	254826379	OXLGBLZDEPETMH-UHFFFAOYSA-N	414.546	5.965	10	10	HKCE	
C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	312287326	UQJQOFYCXWHHGM-XCLFUZPHSA-N	417.377	5.262	10	10	HKCE	
COc1ccc(N2CCCCC2)cc1NC(=O)c1c(Cl)ccc(Cl)c1OC	1858033531	QQNUHROFMRWBJG-UHFFFAOYSA-N	409.313	5.253	10	10	HKCE	
COc1cc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1	1860487978	XWLZZTZQJOEEQL-CYYJNZCTSA-N	416.525	5.110	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)CCc3ccc(-c4cccnc4)cc3)cc2)cc1	1866180686	VNYWAQFEEOPRAO-UHFFFAOYSA-N	407.517	5.493	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2034781964	IKNRJHFKIKLXLN-UHFFFAOYSA-N	403.408	6.001	10	10	HKCE	
C[C@H](N(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1)C(C)(C)C	2095953334	FTGUVSHIIVVCLS-KRWDZBQOSA-N	415.419	6.142	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)cc1	2296397951	JELHFTFGKROALM-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1	2313681420	DNDYVMOJJNSDAI-UHFFFAOYSA-N	404.539	5.802	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)c1	2321733967	QXPROMIDHYVPLK-UHFFFAOYSA-N	411.495	5.833	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106820	KKDBMODDQRTEMV-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCCCc2ccccc2)c(OC)c1	2332126974	NJHZTBGAOPVAFY-UHFFFAOYSA-N	406.526	5.108	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c2ccccc21	2332128824	HRVUQPSEFUFKLQ-UHFFFAOYSA-N	411.892	5.666	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3F)S2)c(C)c1	5694258	NUKMMTLBVGWBJC-LZYBPNLTSA-N	405.292	5.287	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460709	UINNLZXNWQGGQO-HWBMXIPRSA-N	414.936	6.443	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476660	NCSSTFURASOIHI-MVOZIGHISA-N	411.545	6.879	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	14477848	JDRCHNJBWHHIKB-HYFFOGBASA-N	413.348	6.056	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCC)cc1)N2	14543747	ZDRKFRPHARMXJA-PLXFJCCSSA-N	418.581	6.174	10	10	HKCE	
CCN1C(=O)/C(=C/c2ccc(COc3ccc(Cl)c(Cl)c3)o2)SC1=S	20608704	IAESHSJTXJBKLK-NVNXTCNLSA-N	414.335	5.387	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20752154	IAMAMYCKSRYBFP-IQANXLHVSA-N	419.524	6.951	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753623	CVSXHFBKJOFHIU-HPJWIMSGSA-N	418.540	6.521	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621417	KGTGITCNHMAJTF-JOCHJYFZSA-N	400.438	5.062	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(Cl)c3)c3ccncc3)c(O)c2n1	54621853	HNJOEYGAKWZXAB-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
O=C1/C(=C/N2CCCCC2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	59397585	CNANKTVFXFGZMN-LCYFTJDESA-N	406.882	5.051	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(N(C)C)cc2)cc1	105440400	SFNLJAGCGHRUKI-NQWVBACPSA-N	418.610	5.073	10	10	HKCE	
CCCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC1=S	208274516	XEDHUHIROFPMNQ-XDJHFCHBSA-N	411.596	5.226	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	226653357	ORUGAZWKJBKIKU-TZBSWOFLSA-N	424.610	5.632	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	226731220	SMAUWRKQINNDNZ-ZFGGDYGUSA-N	414.936	6.097	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2	226790704	BHKOAWWFDOGHLJ-OTNCWRBYSA-N	404.554	5.784	10	10	HKCE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)c1ccc(Cl)s1	248012173	CFFCPUVFQLSUHN-UHFFFAOYSA-N	404.963	5.013	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1ccc(F)cc1O	379561850	JUQLKBBYQHGGPW-SSDOTTSWSA-N	423.507	5.883	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858588732	WUQBENFRABTNAE-LUTPVBBESA-N	412.407	6.019	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086216	QWGHEWORVZRUTJ-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667448	XJRLTWOWOACDAY-XSFVSMFZSA-N	404.897	5.694	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(F)cc2F)cc1	1865673469	FZBXHBWQJWPSCK-FYJGNVAPSA-N	404.416	5.116	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865678291	DDYWUBYWDNXKTQ-JCMHNJIXSA-N	402.881	5.179	10	10	HKCE	
C[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	1868169089	OJRVXISNQYWUDN-CQSZACIVSA-N	403.865	5.248	10	10	HKCE	
CCCCCOc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871129860	REFSAUQDYANJHK-UHFFFAOYSA-N	405.542	5.793	10	10	HKCE	
Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)c(C)s2)c1	1892114873	NVHLQKJXTKHPRG-UHFFFAOYSA-N	420.559	5.895	10	10	HKCE	
CCN(CC)CCN(Cc1ccccc1)c1ccc([C@H](C)NC)c(Br)c1	2095882058	VADAHJCNCIJSQE-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(Cl)c1	2332099428	UVXLNMIBCUYNTJ-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
Cc1ccc(CNc2ccc(C)c(Br)c2F)c(O)c1Br	2381161053	KHSDFQYPNPLSTJ-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2nc(-c3ccccc3)ns2)c(C)c1	5139606	OBOPQJVCYIBVIV-OCOZRVBESA-N	409.583	5.461	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14462793	FUVXEWZPNGLINM-SGIRGMQISA-N	422.594	5.421	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)CC1	14465598	XJIRHYGOCDVLOP-HFMPRLQTSA-N	406.957	6.039	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466209	GLPWBXPUIHANJW-XLNZFTOWSA-N	414.936	6.097	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467108	GZXFHBKBZPNCEQ-CKFHNAJUSA-N	404.293	5.702	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467874	JBDBFJUXOJVUHR-JNTBSDPJSA-N	404.337	6.703	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703639	BFTGQGYXVNNLSR-OTNCWRBYSA-N	410.517	5.452	10	10	HKCE	
COc1cccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)c1	53363854	VMTZICDTVHKJJU-ZJSXRUAMSA-N	422.912	5.285	10	10	HKCE	
CCCCOC(=O)c1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)c1	54619995	MAUHAPGDQXXXBK-HSZRJFAPSA-N	416.477	5.692	10	10	HKCE	
CC(C)(C)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O	100869506	HZJZDRFAJYWNFR-QURGRASLSA-N	400.435	6.219	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226833168	ZUALTXITNSUANZ-VVBPWWLESA-N	401.337	6.559	10	10	HKCE	
COc1cc(Cl)cc(CNc2ccc(NC(=O)OC(C)(C)C)cc2Cl)c1O	697314517	DMQISQVAPKNMIG-UHFFFAOYSA-N	413.301	5.667	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1	1860075199	PKFVSGHNJMHHHW-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860086649	YJVBXUTZOHVZMZ-WOJGMQOQSA-N	417.983	6.052	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865664623	HQOZZHARGWZBMH-XFFZJAGNSA-N	419.617	5.995	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cn(C)c2ccccc12	1865670788	RHVBMLTXBLDMJT-GZTJUZNOSA-N	412.320	6.071	10	10	HKCE	
COc1ccc(N2CCN(C(=O)CCC3(c4ccccc4)CCCCC3)CC2)cc1	1866389907	JMZBNMKMBNHRCP-UHFFFAOYSA-N	406.570	5.026	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1	2079031225	HVJKRTZHEUBAQP-INIZCTEOSA-N	421.335	5.045	10	10	HKCE	
CCOc1cc(C=C2C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1	2293826911	CWGNKHXVQMCURJ-UHFFFAOYSA-N	412.485	5.954	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(F)c3)o2)SC(=S)N1CCc1ccccc1	2297454980	BMCMTSNWXLJZMZ-UHFFFAOYSA-N	409.507	5.530	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321569926	XOHRZJOPVOBMIC-UHFFFAOYSA-N	404.354	5.417	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2321570031	YUTFPIMBRKTICC-UHFFFAOYSA-N	422.344	5.556	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1	2321609671	CEGQHGFYQXOWQM-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	2321647573	PYTLGARKTIHEMF-UHFFFAOYSA-N	409.620	6.687	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1	2321734023	HTLGOXGQXQWBLV-UHFFFAOYSA-N	422.394	5.577	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321748974	PDXKMWNSEJOKHD-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
FC(F)(F)c1cc(N=NN2CCN(c3ccccc3)CC2)cc(C(F)(F)F)c1	2330147797	TXHKPOCVXFHEGF-UHFFFAOYSA-N	402.342	5.545	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCc2ccccc2)c(OCC)c1	2332119485	MKJYMWYLSMGSIQ-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC	2332124334	RJBLOPUOAGZRET-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1c(C)cc(C)cc1C)[C@@H]1CC=C[C@H]21	14458076	TYAJLGVCGXSBFG-ZJCBTPCYSA-N	404.554	5.205	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467799	YCRJDTABVMDNPH-MDOVXXIYSA-N	404.337	6.704	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477636	OLKRQNQNWYLUQD-AVYPCKFXSA-N	415.364	6.348	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549370	YMOGFWXGYLJFEG-CQIJWSFUSA-N	419.568	7.854	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	20696397	JVMDNRMRSPWTFI-SXGZJXTBSA-N	400.316	5.768	10	10	HKCE	
Oc1c([C@@H](Nc2cc(C(F)(F)F)ccc2Cl)c2ccco2)ccc2cccnc12	54619737	CUYGSXUEBXHBEV-LJQANCHMSA-N	418.802	6.407	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226668159	WERMTTDDNCGGIC-SLSDLSHTSA-N	422.594	5.433	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226877471	PWHCFVPOEBEQNR-DYRZZGSRSA-N	413.565	6.257	10	10	HKCE	
CCNCc1ccc(N(C)Cc2cc(Br)cs2)cc1Br	233554508	COCDEFFIGPQCOP-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1F	381901803	NEXPGGQAPCCLHT-UHFFFAOYSA-N	401.265	5.797	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1	1860084890	VOIKSSYRSKXYBD-KGENOOAVSA-N	410.608	5.551	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)ccc1F	1860087793	UKBADHFSCYRCNN-OVCLIPMQSA-N	413.417	5.439	10	10	HKCE	
Cc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cccc(Br)c3)C2=O)cc1	1865656631	PBEWGGGUAWBEII-GDNBJRDFSA-N	409.205	5.106	10	10	HKCE	
CCNCc1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	1892545709	FBFAMFKVNDFARI-JOCHJYFZSA-N	417.391	5.134	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080053028	FKHZJORESHBHMD-INIZCTEOSA-N	414.880	5.609	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1Cl	2297498526	ACDBXHSOUMTYSA-UHFFFAOYSA-N	414.310	5.547	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	2323739808	PXKRXALXLKTSMA-UHFFFAOYSA-N	401.641	6.870	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1OCC	2332106849	NEQCFUDOPNFYLP-UHFFFAOYSA-N	418.415	5.141	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118401	HWKMKCPQQCHAHN-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456703	IVIDYALFOBLMIH-BPYKYCOYSA-N	403.547	6.341	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475490	WWYBUOMMUQEKFU-HWBMXIPRSA-N	412.533	5.433	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477314	CXOCUSGAJRHZEH-PDSXEYIOSA-N	415.364	6.348	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546178	JUGXVSPUJCHINS-UZINWLIJSA-N	424.544	5.794	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@H]21	20714155	QECOUYDGQKJWHD-RQTOMXEWSA-N	422.594	5.386	10	10	HKCE	
CCN(CC)c1ccc(CNc2cc(Br)ccc2Br)cc1	57727632	LTIFGHHQFQYBAH-UHFFFAOYSA-N	412.169	5.670	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226845274	CGEDYAKASCUVAJ-PZPWOCDFSA-N	401.337	6.414	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1	526247922	LDRMDNMIKHERMX-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860087006	VKELGZLIAGYQBI-CXUHLZMHSA-N	410.347	5.716	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)ccc1Br	1860087174	FJNVFTVLSZFFHD-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865654355	RZPHJOKXXYTHHT-PLRJNAJWSA-N	417.512	5.740	10	10	HKCE	
CCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1OCC	1874138172	IXIURMZIORNCCF-UHFFFAOYSA-N	408.498	5.152	10	10	HKCE	
CN(Cc1ccc(Br)c(F)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117993839	BDFUENLZXGSJQR-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Cl)c2O)CC12CCCC2	2155192760	KPXLSJIBGYHVNV-OAHLLOKOSA-N	415.361	5.111	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2	2296857827	YDMNYGXERKWBHY-UHFFFAOYSA-N	421.499	5.077	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1Cl	2313610410	XZWYNRBDSQKOLU-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc(F)cc1	2313681938	QYXPFGAIQZACCF-UHFFFAOYSA-N	408.502	5.002	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	2332099979	YOJYVAWXQDRJRT-UHFFFAOYSA-N	406.835	5.986	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1cccc(F)c1	2332107459	GBTAWSPJRLKLFH-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125436	AVTPQKLGYCSUPM-UHFFFAOYSA-N	412.917	5.328	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@@H](C)O)c(Br)c2)c1Br	2369667186	JMQXJMPPVKYLQC-SECBINFHSA-N	419.182	5.271	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/C=C(/Br)c2ccccc2)SC1=S	3003372	BDHRTZQLODECCK-GLDUUKHASA-N	416.365	5.680	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467612	YNXAMIFHSZFXJY-WAWZGNHOSA-N	417.336	5.665	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	14475565	FYALJYIWVLQWDW-BXTSTYNKSA-N	422.572	6.683	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544061	XZHFFKOZONRKCX-HKARXFIJSA-N	402.450	5.592	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14552422	BULJZNHXBQVDIY-HWBMXIPRSA-N	414.936	6.727	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226840827	DGOUZPYNMYLWSD-VVBPWWLESA-N	415.364	6.302	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526168819	HWJSRBZZRUPWSH-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1CNc1ccccc1	606656195	XTQBNHAQFSNYCO-UHFFFAOYSA-N	414.480	6.072	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1	1860073517	NAADJMDKWCTLIB-LDADJPATSA-N	411.548	5.017	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1c1ccccc1Cl	1865664565	TVRLCCPDDFWHJI-SSZFMOIBSA-N	411.263	5.967	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1OCC	1865666550	LPPOXDZMENBXMN-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1ccccc1Cl	1865678195	YWDRRKWPXXFQFQ-RGEXLXHISA-N	417.852	5.078	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678744	BUJNCFWUSYIVKO-DEDYPNTBSA-N	400.444	5.904	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3cc[nH]c3c2)sc(C)c1-c1ccc(C)cc1	1866001855	VZRANTCSECXGDM-UHFFFAOYSA-N	404.491	5.552	10	10	HKCE	
CCCCOc1ccc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc1OCC	1866003169	MWWRKVOSGFLTGU-UHFFFAOYSA-N	418.537	5.690	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(Br)c1	2231471913	MHFGUPHYAHFIKP-QZTJIDSGSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	2294623653	NVCKGLVPQBTWGM-UHFFFAOYSA-N	418.946	5.485	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S	2297346971	CDKZVYFSPBMGNY-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
CCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)o2)c1	2313548887	IAYMBNOSXMKZPG-UHFFFAOYSA-N	414.461	5.320	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629367	OTWHFLVELAFTGT-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(C)cc3C)C1=O)cn2C	2321660955	HIWZGMREWCEFAL-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OCC	2323790925	VDYKHFNOBQEYSU-HOCLYGCPSA-N	405.585	5.264	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21	14463339	SKJYQIUEEUDETF-YZUZCNPQSA-N	404.554	5.403	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14546800	KCMKATGDZOBJGM-VKIFBMEASA-N	413.348	6.056	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	20689294	VAWGEPIEFCXNIV-MFSJNOQSSA-N	400.547	5.813	10	10	HKCE	
COc1cccc(C(=O)N[C@@H](/C=C\c2ccccc2)c2c(O)ccc3ccccc23)c1	33420365	DLQOOFHLGXPYRZ-TZSZMTFGSA-N	409.485	5.739	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccc(Cl)cc3)N2)c1O	53362841	OFSHJLQGXOUZSR-RCZVLFRGSA-N	420.940	5.975	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S	205772802	VMGIZPIRUPGCAR-WDMNMGCXSA-N	406.617	5.688	10	10	HKCE	
CC[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cc(Br)ccc1O	717982791	WVKPBZPKRFTIIZ-TYPHKJRUSA-N	418.375	5.579	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CC)cc1OC	1865672228	QUIYOOIQKDOWKX-KNTRCKAVSA-N	407.514	5.246	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H](C)c2cscc2Br)c(Br)c1	2186628907	QVISYSOZPLAFMP-ZJUUUORDSA-N	419.182	5.524	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl	2313681771	MWWSXWZDHHUGST-UHFFFAOYSA-N	417.321	5.712	10	10	HKCE	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br	981374	PJOHGOONXHVIFV-YVLHZVERSA-N	419.344	5.301	10	10	HKCE	
Cc1ccc(-c2cc3c(n2-c2ccc(Oc4ccccc4)cc2)CC(C)(C)CC3=O)cc1	4884926	USNRCMIMEJNZON-UHFFFAOYSA-N	421.540	7.400	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459387	ZTPBOFVZXKQNEK-DFIYOIEZSA-N	418.537	5.099	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460321	QEWRVFWFWQGRLE-KNKQGSTJSA-N	416.974	5.197	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462303	WIELDVWTCBABHY-FXSPECFOSA-N	417.597	5.841	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471372	FBPWHJNZTWYFNI-WCJKSRRJSA-N	411.889	5.813	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(Cl)c1	14477771	VIWNLFWXPPOPLO-XLNZFTOWSA-N	422.355	7.399	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479687	HZNVBPNZSZPYHK-GLDPYIMESA-N	406.526	5.012	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14543999	KPMVVNJQFLAJMG-CTVOUCONSA-N	418.540	7.419	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2	14552373	IFIRIUZPSXXDSH-ZRCGQRJVSA-N	400.547	6.444	10	10	HKCE	
O=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(O)=NC(=S)N1c1ccc(F)cc1	96453382	BRVBJPFLLZNNRB-SFQUDFHCSA-N	424.478	5.242	10	10	HKCE	
CC(=O)N(C)Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)c1	108184081	ZRDPZVSYEZTYPA-UHFFFAOYSA-N	417.553	5.448	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2)c1ccccc1	226899251	FTUYWBVCPDSSIG-JQYIIUTOSA-N	412.508	6.319	10	10	HKCE	
Cc1ccc(O)c([C@H](C)Nc2c(Br)cc(Cl)cc2Br)c1	312153731	KBZHNOCOUVAKJQ-VIFPVBQESA-N	419.544	6.052	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cccc(OCc2ccccc2)c1	715793634	XWZYFTAZOXIGNA-UHFFFAOYSA-N	402.263	5.485	10	10	HKCE	
Oc1c(Br)cc(Br)cc1N=Nc1ccc(Cl)cc1Cl	1084125240	ZVIBZYZYBYTIIE-UHFFFAOYSA-N	424.907	6.639	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	1858588437	FXOWISFNZHENJL-HCAFDKJFSA-N	417.596	5.120	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858592383	WEYDEVHWICOCIO-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CN)c2Br)C(C)(C)C)cc1C	2080033506	KIJHZOVBUNGPTM-GOSISDBHSA-N	422.411	5.360	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1C	2296810312	NRHXIAKDDBPTLF-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	2297505940	BNCMZGUFGCHNEI-UHFFFAOYSA-N	413.260	5.023	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C=Cc1ccc(N2N=N2)cc1)c1ccccc1	2297580288	HANUGJYYNNCKLQ-UHFFFAOYSA-N	405.461	5.679	10	10	HKCE	
CC1CCN(c2ccc(N=NN3CCN(CC=Cc4ccccc4)CC3)cc2)CC1	2330217010	LFHPSSKFNJFOSB-UHFFFAOYSA-N	403.574	5.253	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc1	2332103960	GAESPTRSBHHBJG-UHFFFAOYSA-N	424.825	5.947	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	13645033	AXEGJRCFYVLTHN-FXSPECFOSA-N	417.597	5.841	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14458739	LJSKUVQRTMEAHQ-FXSPECFOSA-N	408.545	6.488	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469890	ZRNHDBLFWGXEPB-DCLXLUIPSA-N	422.355	7.399	10	10	HKCE	
COc1ccc(OCCn2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)cc1	34880188	YHRVRIZEPBTUAF-KQWNVCNZSA-N	410.473	5.222	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccc(-c2ccccc2)cc1	35087969	GYQBIZOMCSMNEC-KGENOOAVSA-N	420.534	5.764	10	10	HKCE	
CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)c(OCC)c2)C(=O)O1	58834148	PXAJVMKLQCAEST-UHFFFAOYSA-N	424.493	5.054	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(Cl)cc(Cl)cc1Cl	101148251	JLNNVSMHFDADES-MDWZMJQESA-N	415.107	6.019	10	10	HKCE	
Oc1c(Br)cccc1CNc1c(Cl)cc(Cl)c2c1N=S=N2	109892625	CBBKRHJEZVGKEF-UHFFFAOYSA-N	405.104	5.800	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccnc2)N3)cc1	226899094	DPBHRRQQHMVCRP-MVERNJQCSA-N	423.560	6.458	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)N1CCCCCC1	250120850	RTHGAVSKAPUXQI-DPLHUUCSSA-N	406.957	6.183	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1C[C@H]1c1ccccc1F	253615893	KOWVPEUFOVWSBP-AOJNWGRGSA-N	411.476	5.694	10	10	HKCE	
Cc1cc2c(n1-c1c(Br)cc(Cl)cc1Br)CCC[C@H]2O	312159544	IMGSZZFCKVZIMU-CQSZACIVSA-N	419.544	5.334	10	10	HKCE	
CC(C)(C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(Br)c1	384123865	KFBKAOZSFQQUGU-LJQANCHMSA-N	417.391	5.133	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	526309839	VQFPAJZALHWXDN-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526401066	SIUZUNPBQOLBTK-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
CC(=O)c1ccc(N=Nc2ccc(N3Cc4ccccc4C3)c(C(F)(F)F)c2)cc1	1088699710	YOFXEXPNGUDIJU-UHFFFAOYSA-N	409.411	6.844	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1CCC1=CCCCC1	1858590981	RQDYXPDGJDMSII-FOWTUZBSSA-N	408.386	5.541	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)cc1Cl	1860084791	LROXXOBTOKPXJQ-IZZDOVSWSA-N	417.320	5.369	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)cc1F	1860087283	MWYUUTUBVUKXJR-MKMNVTDBSA-N	402.274	5.677	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656303	DYHOVMYRGBDYPI-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(F)cccc1Cl	1865664311	KSBDCUNMAHAEKD-UKTHLTGXSA-N	411.691	5.978	10	10	HKCE	
COc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1OCc1ccccc1	2294965754	NXZSMLUGKGQRHF-UHFFFAOYSA-N	412.489	5.076	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=N)N12	2297470549	CVHDCXAJTGKCEN-UHFFFAOYSA-N	412.518	5.414	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1	2325185223	GWSVFRLBZOXHEW-UHFFFAOYSA-N	421.518	5.479	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1	2332148152	JXDRPSDZGLETHA-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCC1	13639382	MTWZOMYMUFGQCP-IPJJNNNSSA-N	423.354	5.512	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@H]2CC=C[C@H]32)CC1	14464206	KJPIMBPWUYNIMQ-WFIHMLKPSA-N	422.572	6.538	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468683	QYMOPENFKQNVJF-MNVSYLFESA-N	404.293	5.754	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477480	PYZXIKCOFPJYMR-GCKMJXCFSA-N	402.321	6.387	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@@H]21	20720143	OLMWBKNZHDHCIY-JCWFFFCVSA-N	411.549	6.057	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C1CCCCC1	33406444	SJXSYEITZZFSMT-PDGQHHTCSA-N	403.956	6.134	10	10	HKCE	
CCCCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	101113077	DRGZAAFMDAZPEO-XSFVSMFZSA-N	411.889	5.015	10	10	HKCE	
CCOc1ccc(N(C)c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2)cc1	103392944	ULAMZTOAMWQPEU-XIEYBQDHSA-N	411.505	5.659	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc(Cl)cc1	1858590989	RYRJQNRWPNIUOB-OVCLIPMQSA-N	414.766	6.048	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1O	1860086416	GEWFVMTULGLJIY-KGENOOAVSA-N	419.527	5.377	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656905	XHYCHKMUGFQRAP-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664454	DLVIQDPXENSFGD-RVDMUPIBSA-N	407.728	6.229	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc1	1865668392	UWPWVYCTADOPOQ-UYRXBGFRSA-N	420.406	5.349	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1	1865953859	YANGCTQQBCKXQC-MHZLTWQESA-N	406.529	5.825	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(C)C)c2O)sc(C)c1-c1ccccc1	1866173413	XBGHYDHVOLPOEF-UHFFFAOYSA-N	409.507	5.591	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OC)c(COc3cc(C)cc(C)c3)c2)SC1=S	2297108465	RTUHEFUWTYFICH-UHFFFAOYSA-N	413.564	5.112	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2c1	2318755878	AFPKBSGLPVMZHE-UHFFFAOYSA-N	408.548	5.706	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccccc1Br	2321613585	SRKCSSZPJJTRKW-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	2321646881	VXZRXPBXORFFGI-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)c1	2321683147	BUNVVULAVTWGAG-UHFFFAOYSA-N	422.453	5.070	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O	2332116441	OEFVHLINBSZXLH-UHFFFAOYSA-N	410.517	5.552	10	10	HKCE	
Cc1ccc(CNc2ccc(Cl)c(Br)c2)c(O)c1Br	2352943190	PMACNLUHZCOROS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C\c2ccc(N3CCCCC3)o2)S1	6173989	HSFKBCGHPOHOPW-SFQUDFHCSA-N	401.919	5.314	10	10	HKCE	
C[C@H]1CCCN(c2cc(NCc3ccco3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737992	HUNROUOQYDRFBN-HNNXBMFYSA-N	413.477	5.481	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN(CC(C)C)CC(C)C)cc1)CCCC2	6751337	ZUEVONKRHVNREI-UHFFFAOYSA-N	423.645	5.398	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2c[nH]c4ccccc24)N3)CC1	14545109	SYXCZHQYQPVZED-NYUJMHJJSA-N	411.549	5.867	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546461	WXOPBCXNEVXXMO-PFPZSTESSA-N	424.544	6.093	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21	14548679	LDEYEZRUJFHKEB-FPGHNAPASA-N	400.547	5.547	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21	20695988	ZKEBVPVJSHRRFT-PSTGCABASA-N	421.132	5.744	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O	1865674234	UXBVAFFPCRUWHR-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100218219	BFIQHGHBAUXYSR-IPHXSNPTSA-N	418.375	5.323	10	10	HKCE	
COc1ccccc1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2293718895	IEDNBIXKFDJHHH-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(O)c1Br	2327796789	MSOGDYXBDJDAOC-SFHVURJKSA-N	404.348	5.033	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099458	XHYCHKMUGFQRAP-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	2332114789	QLROZPIEINVHIJ-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1	2332139867	BDUSJAOBLNLWNF-UHFFFAOYSA-N	409.533	5.828	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cccc(OC)c2)cc1	2332141523	AYLJBOSPQRMJKE-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
C[C@@H]1CCCN(c2cc(NCc3ccco3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737991	HUNROUOQYDRFBN-OAHLLOKOSA-N	413.477	5.481	10	10	HKCE	
CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	10910003	IFTDBVZXYNBZMY-VWLOTQADSA-N	410.473	5.023	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14464882	KKAKMUZPCJDASB-JTAQYXEDSA-N	400.909	6.419	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14465516	XBXXTPJIYUGYFK-FXSPECFOSA-N	407.985	7.516	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14476050	QQGNENLESUQDIZ-OHUGHZGNSA-N	414.461	5.706	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14544924	XJUVQTPHLFFZLF-KAWPREARSA-N	411.549	6.011	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCCc4ccccc4)c3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545049	ASVDJZYSISLQTG-ZCUZBQTDSA-N	420.556	7.006	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711698	KFQAFUUSZXDYPX-CKNLXJGOSA-N	401.337	5.958	10	10	HKCE	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1	205609904	YIGMUZNUYWURLL-RRZPITBASA-N	420.597	5.271	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226658565	YQUDNNYFHOBFQQ-QHEFXJGPSA-N	416.565	5.347	10	10	HKCE	
Cc1cccc(CNc2c(Br)cc(Cl)cc2Br)c1O	311276525	IEXMGUKMJIPXNK-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1C	526251297	NKCJYJAHWOGWAM-JOCHJYFZSA-N	404.535	5.488	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1	1858589820	LHAQEXTYWFZVKD-WOJGMQOQSA-N	402.629	5.320	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860086459	IYEGERFQEPVHCS-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cc1	1865668455	YTIQYWBZMBVTHB-JJIBRWJFSA-N	404.554	6.064	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865673390	BNKAHLVBFYLZDC-NDENLUEZSA-N	408.835	5.448	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)[C@H]3CCCN3c3ccc(Cl)cc3)cc2)cc1	1866142608	WOXBDWNWXCJTAS-HSZRJFAPSA-N	405.929	5.121	10	10	HKCE	
Cc1ccc(-c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2)cc1	1892114631	ADCYPKLTOKBVNN-UHFFFAOYSA-N	420.559	5.895	10	10	HKCE	
CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	1915424687	ZXAQVZWNDNMXOA-HXUWFJFHSA-N	419.407	5.115	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(CN)c2Br)C(C)(C)C)cc1C	2079957161	NLYRYPAGBASWPU-GOSISDBHSA-N	408.384	5.186	10	10	HKCE	
C[C@H](N[C@H](C)c1cc(Br)c(Br)s1)c1ccccc1O	2266536089	WZTDLROUDQDNJK-DTWKUNHWSA-N	405.155	5.391	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=S)cc1	2314486159	BBDVBWAWTSDCME-UHFFFAOYSA-N	422.487	6.205	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332094917	VDBUTNDOLCAEIN-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C	2332132893	FMMSSTSJSJRNNW-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1	4818959	RFEXQEHPRFZKIS-AWRGLXIESA-N	417.509	5.438	10	10	HKCE	
Cc1cccc(Nc2cccc3c2C(=O)c2c(Nc4cccc(C)c4)cccc2C3=O)c1	5161134	YBCMHEIWORKATQ-UHFFFAOYSA-N	418.496	6.566	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703245	IHWDJQXAOWMCJY-JXALWOEJSA-N	416.452	6.139	10	10	HKCE	
COc1ccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621704	BRPPXEBPWSAXNZ-JOCHJYFZSA-N	405.885	5.507	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226642079	CETOZJMDAAEUML-DPLHUUCSSA-N	402.538	5.584	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1	250507455	MKIFZKXMUVVQEW-JJTGBXKASA-N	410.517	5.139	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526232840	VKVXSSCFEONXKN-QFIPXVFZSA-N	421.880	5.371	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1	526552433	SLIOKXHNBOGOTH-HXUWFJFHSA-N	412.461	5.150	10	10	HKCE	
CC(C)N(C(=O)c1c(F)cccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O	1859889140	OZNQBZHCQRRIJO-UHFFFAOYSA-N	421.855	5.310	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1	1860084766	JOGBMERNJRVLQC-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cc(Cl)ccc1Cl	1860085185	UGBKVGFWMHNHSO-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667033	ARJLVWAYZPRYKB-PXLXIMEGSA-N	418.924	6.084	10	10	HKCE	
Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)o1	2295225568	REFDYMVJLKFPBF-UHFFFAOYSA-N	413.260	5.023	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)SC1=S	2297499164	AEVMDOZJDKAABB-UHFFFAOYSA-N	411.548	5.034	10	10	HKCE	
CN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	2332122266	KWRFQSVRNQDLDZ-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1nc2ccccc2s1	7423379	WPEUXBYCSJJVRY-UHFFFAOYSA-N	414.943	5.081	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644753	BYQLXYQTNLDCAL-PNIUZAESSA-N	424.588	6.591	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462333	XCNYJGMDQYBGAI-DRLORSAXSA-N	403.570	6.098	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465640	TVCQYMDHVLHWTM-LGVFNWMJSA-N	408.973	6.429	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468160	DEWXQNSZZGERNA-AUSJPIAWSA-N	404.293	5.754	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1	14477699	UQXIONGMEPETGV-WZOHSFFVSA-N	422.355	7.399	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549428	KLORZZFGWPRBOM-APJNYFBKSA-N	405.541	7.607	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698060	FFIGILPOGBWXLG-PLXFJCCSSA-N	414.593	6.653	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]21	20751730	GJWINZDCVDKGHM-ZMOMAAQPSA-N	416.735	7.332	10	10	HKCE	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1C(F)(F)F	59396756	SPHUNILQUAQRGW-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	96505389	QFJQKALCMWZHTO-XSFVSMFZSA-N	407.491	6.024	10	10	HKCE	
CCc1ccc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	205966870	IRSLFLUZHLWWQR-HKOYGPOVSA-N	411.505	5.395	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226835814	VTXCVCIBVFFPOG-DGGJZMOXSA-N	415.364	6.805	10	10	HKCE	
CC[C@H](N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cc(Br)ccc1O	717982789	WVKPBZPKRFTIIZ-SESVDKBCSA-N	418.375	5.579	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCC	1858589976	SDHISBGVBDAQCR-GFULMQHTSA-N	419.612	5.654	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	1858590873	MQJJKUOWAGMDBI-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
CC(C)N(C(=O)/C=C/c1cccc(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889687	WALGOKMHGLYKQD-BUHFOSPRSA-N	413.448	5.056	10	10	HKCE	
CCOc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870788007	CBSOYGJWBALTII-UHFFFAOYSA-N	415.493	5.244	10	10	HKCE	
CCN[C@@H]1CCc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21	2012692873	TVCVQGMUCDKOPD-MUUNZHRXSA-N	413.609	5.422	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)cc1C	2079952379	HPQULFYXQRHEIO-KRWDZBQOSA-N	423.351	5.425	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Cl)c(I)c1Cl)CCC[C@@H]2N	2150347342	XRNNIYINZXOLTG-NSHDSACASA-N	421.109	5.033	10	10	HKCE	
Oc1cccc2c1[C@H](Nc1ccc(Cl)c(I)c1Cl)CC2	2150350061	ZWQLLPFSGLEOSK-SNVBAGLBSA-N	420.077	5.403	10	10	HKCE	
N=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12	2296660134	IUTZIZIKWPGJPJ-UHFFFAOYSA-N	416.289	5.003	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)SC1=S	2297455022	XFLPPDHQUWVTAV-CQSZACIVSA-N	409.507	6.048	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2)c1ccccc1	14456889	FJORPRRPSYHSKI-BPYKYCOYSA-N	414.574	6.550	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21	14460786	VTBSQTNLZWSTAT-SNUQEOBHSA-N	421.132	5.744	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14461804	BTNZLFHZXGZHQP-HWBMXIPRSA-N	415.581	5.595	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476810	ZYHIBTIYJOIMNB-RZIGYZOXSA-N	424.544	6.441	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@@H]21	20697244	JYQWBBDKMKIPBC-ZFGGDYGUSA-N	403.570	5.499	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc(/N=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1	100030368	BKDLGNBRCKCHQF-WCWDXBQESA-N	417.575	5.653	10	10	HKCE	
CCOc1ccccc1N/C(C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	205957209	ZAKSTYDRHRFVHY-HAVVHWLPSA-N	415.468	5.361	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)s1	226682991	STGRKSMFLLSDBK-SELNLUPBSA-N	422.575	5.684	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	251393190	XBUXYFZDGWNJAA-QYNSMDLWSA-N	407.510	5.624	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	1860074712	GEMGGIYSVGUSRZ-GZTJUZNOSA-N	423.481	5.900	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c1	1865668776	OXTZCSAQUVNWCO-PDGQHHTCSA-N	422.834	5.473	10	10	HKCE	
COC(=O)c1c(NC(=O)CCC(=O)c2cccs2)sc(C)c1-c1ccccc1	1865951650	CIEOHWWEBJQWOF-UHFFFAOYSA-N	413.520	5.173	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C3(c4ccccc4)CCCCC3)cccc21	1866223168	XMELIYOCLHUHJZ-UHFFFAOYSA-N	409.485	5.303	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2N=C(c3cccc(F)c3)OC2=O)cc1	2040441292	AEDDOCNLXZUTLB-UHFFFAOYSA-N	400.453	5.197	10	10	HKCE	
O=C(O)CCC(=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	2053508801	GMOOWXWPYJPLOX-UHFFFAOYSA-N	423.494	5.210	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2095920628	HCFUQSGWKJJRSC-SFHVURJKSA-N	417.435	6.562	10	10	HKCE	
CCN(CC)c1ccc([C@H](CCCCCNC(=O)OCc2ccccc2)NC)cc1	2236171952	RVYKPGUBUYQUPN-DEOSSOPVSA-N	411.590	5.280	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1	2297452634	OUQALSJJDNROAQ-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CC(Nc1ccc(Cl)c(Cl)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683114	RZZPIBDVKRYIGB-UHFFFAOYSA-N	422.315	6.130	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	2321616864	RVMQDDUIEQVYHX-UHFFFAOYSA-N	406.576	5.735	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCc2ccccc2C)c(OCC)c1	2332133624	HYAADXIZWVIRDC-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	12630432	QHMGZHAVBAQNRN-PZROIBLQSA-N	419.264	5.515	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2)c1ccccc1	14458806	IGHAIAVPNKJPDE-DXBVXKBHSA-N	408.545	6.488	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476447	KVKAAEORUYBRCM-HOOSLVGPSA-N	416.452	6.139	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546865	GQXHKCVZHFRPJV-CGSMKXTHSA-N	401.337	5.958	10	10	HKCE	
CCOc1ccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)no2)cc1	27579950	MUCIGDZOOYTERB-CYYJNZCTSA-N	412.449	6.408	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c1C	59377071	RAHDBOZOCUGVMJ-RQZCQDPDSA-N	423.390	5.881	10	10	HKCE	
Cc1ccc(OCNC(=O)N(c2ccccc2)c2ccc(N)cc2)c(C(C)(C)C)c1	217290109	GWWCDPIPGYKUFR-UHFFFAOYSA-N	403.526	5.759	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226692747	VXEPVSTWGXOTFG-LPMFXHHGSA-N	403.309	5.227	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226883589	CFMRJSUIIXPJTJ-IMWIBFENSA-N	419.525	5.684	10	10	HKCE	
CN1c2ccccc2-c2ccccc2[C@]12C=Cc1cc(N=Nc3ccccc3)ccc1O2	254734791	WCNFPNBDBFSQKE-MUUNZHRXSA-N	415.496	7.477	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)SC1=S	1858590864	MGUXMLGDCKMHHX-SKCQWOFPSA-N	402.585	5.737	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1	1865676649	ITQOHCYHPNMOQE-AQTBWJFISA-N	403.825	5.083	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2294498917	XZCOSZPGYNZLEC-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2313577402	OXPGXHJSOFCNRZ-UHFFFAOYSA-N	417.549	5.985	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1Cl	2313681523	HCPGKDHYGDYVFT-UHFFFAOYSA-N	424.957	5.516	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	2321646850	LWMWTEBPAIXQJY-UHFFFAOYSA-N	415.883	5.135	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c1	2321672301	HEZCPKPUVUVHLL-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1	1867801	KGDANWDCPMPWLM-RIYZIHGNSA-N	400.739	6.053	10	10	HKCE	
COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)c1	9228793	MRWRFZNSUHDYLR-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476409	NUTSASCGJZGAEB-OUDXUNEISA-N	412.489	6.309	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477880	OKCBUJZRRGWHHS-VWKPWSFCSA-N	401.337	5.960	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548669	SHCMSJHJLUJLOR-SELNLUPBSA-N	422.575	5.053	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@@H]4C=CC[C@H]43)ccc21	20684299	XWDAWWRXHGXLOY-DVHCVUMVSA-N	423.516	6.858	10	10	HKCE	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	40846780	SOONQQGWPOBFQP-PDGQHHTCSA-N	419.955	5.543	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53363798	JHIXXUCNRBZRAU-WIOPSUGQSA-N	420.484	5.161	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526233507	JHMJDPGXVYCIED-RUZDIDTESA-N	412.533	5.681	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3cccc(OCC)c3)SC2=S)cc1	1860085588	BORBQQCUUZHFSZ-HMMYKYKNSA-N	413.564	5.670	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	1865654547	WYBMDNOVBFWGCV-RGEXLXHISA-N	409.411	5.254	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1	1865658992	YACYEXCZUISRPD-BWAHOGKJSA-N	408.545	6.123	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2)cc1	1865887404	FZGOBZXQFFLXKA-UHFFFAOYSA-N	406.485	5.343	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CC[C@@H]2CCCN2)sc(C)c1-c1ccc(Cl)cc1	1866257978	IXUNWCUVVQIRGX-INIZCTEOSA-N	420.962	5.024	10	10	HKCE	
CC(C)c1nn(Cc2cc(Cl)ccc2O)c(I)c1C(C)C	2079728016	JJZQMFHQDIGFJM-UHFFFAOYSA-N	418.706	5.142	10	10	HKCE	
CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Br	2079939577	PXDFECWPYYSXCE-KRWDZBQOSA-N	423.351	5.089	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2095949993	RQEARDBBHOCTQV-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2231471918	MHTPALJFBIAQTF-RBUKOAKNSA-N	417.435	6.388	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(OC)c4ccccc34)SC2=S)cc1	2297295685	BUMMUFJVEANZMH-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1C	2302225224	ROZLQUSVINFEMV-XMMPIXPASA-N	415.625	5.722	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc(C)cc2)C1=O	2314457585	QJHLINOCXNEYHR-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332147907	CFFCXWADMIVRNX-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1	2977135	DIDVIUTXFBWAGJ-AUQXIXNCSA-N	413.564	5.147	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl	14470606	GAPSBDUVJXYNON-JXQFQVJHSA-N	418.880	6.867	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	14477851	JDRCHNJBWHHIKB-GSHUGGBRSA-N	413.348	6.056	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(OC)c1)[C@H]1CC=C[C@@H]21)c1ccccc1	20755964	HWKPQQGVLXZQAM-MVERNJQCSA-N	424.544	6.188	10	10	HKCE	
CN(C)c1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1	34682531	QDXJXMJVZZSULS-UHFFFAOYSA-N	413.565	5.064	10	10	HKCE	
Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1	39869737	JHCACUUJQQRCFU-WOJGMQOQSA-N	410.882	5.696	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53362894	OMQXRSOYUZRBNR-BVAGGSTKSA-N	416.521	5.330	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1	54619278	QRNLRPMFZUORET-QHCPKHFHSA-N	412.489	5.627	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc([N+](=O)[O-])cc3C)c3cccs3)c(O)c2n1	54621803	LKOMTPVLSQRRLD-NRFANRHFSA-N	405.479	5.728	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226685160	UBNBMMKKGYXJFR-CZSZKKDXSA-N	424.610	5.469	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226892051	SHWBITLIHFGLDY-WIEQDCTASA-N	417.336	5.196	10	10	HKCE	
CC(C)(O)C1=C[C@@H]2[C@@H](C=C1)N(Cc1ccccc1)c1ccc(C(C)(C)O)cc1C2(C)C	1848434529	LSZQKAHASSYJCM-ISKFKSNPSA-N	417.593	5.464	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865665009	WUMSBUKXZGLQAE-MHWRWJLKSA-N	407.728	6.229	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccc(N)c2)sc(C)c1-c1ccc(Cl)cc1	1865858424	FRFANEKYRIGWOE-UHFFFAOYSA-N	414.914	5.388	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915438243	OYJULISRZJYORD-VQIMIIECSA-N	417.391	5.304	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2034781243	DERQJPXVBFNKRM-QGZVFWFLSA-N	403.408	6.315	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2034823606	WYNLJKYVTAGHEY-IRXDYDNUSA-N	403.408	6.171	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl	2079849251	UOMMXOCCFULWLV-SFHVURJKSA-N	420.937	5.114	10	10	HKCE	
O=C1C(=CC=Cc2ccccc2)SC(=S)N1Cc1ccc(Cl)c(Cl)c1	2297303314	JGKNPEDYKSNJBW-UHFFFAOYSA-N	406.359	5.951	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1	2321703763	PBXUYQZZUNBSLS-UHFFFAOYSA-N	403.956	5.781	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464576	LWSYTWGCEJMWQK-CRRLPVGBSA-N	424.588	6.929	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544070	WOTIECYRRABEPG-YZIHRLCOSA-N	413.517	6.242	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@@H]21	14552507	DHSPUWPZKWYDLP-BERHBOFZSA-N	424.544	6.473	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710796	FATIZGHRFXPTBC-SWYRRKHMSA-N	424.544	5.842	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O	33330758	YJPFURNVXOAARB-AZDFLESRSA-N	422.575	5.090	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	58883543	DWEZFDXHORNCGQ-DEDYPNTBSA-N	409.913	5.515	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)n1-c1ccccc1F	108071439	FMWOMHSNWVLJKX-UHFFFAOYSA-N	402.429	5.068	10	10	HKCE	
CCCCSc1cccc2c1C(=O)c1cccc(Sc3ccccc3)c1C2=O	207355139	VJWGSULQIAQBAN-UHFFFAOYSA-N	404.556	6.505	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226695210	RREJBUYWDSIKMV-INNMJMHTSA-N	424.544	6.075	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226778094	IOSWTUMEAPDMRY-PMAPCBKXSA-N	423.509	5.106	10	10	HKCE	
CC(C)(C)c1ccc(OCCCC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1	242736034	DEAFTFWYPVXCHK-UHFFFAOYSA-N	402.538	6.090	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	250576640	PCWHGFLIHQIKLL-LGVFNWMJSA-N	410.583	5.323	10	10	HKCE	
Oc1ccc(F)cc1CNc1c(Br)cc(Cl)cc1Br	311280208	XRFYENGPSRABRB-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1ccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)cc1	1857850451	NFDMNUIGRDZWFG-UHFFFAOYSA-N	402.588	6.801	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2cc(C)ccc2O)SC1=S	1860084421	XFRSKKSVDSIECY-CAOOACKPSA-N	405.928	5.077	10	10	HKCE	
CN[C@H](C)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	1892591288	OQFOTAPJMLPAJF-VGOFRKELSA-N	417.391	5.305	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321647857	OMDWQGCKVIXSJZ-UHFFFAOYSA-N	421.509	6.409	10	10	HKCE	
CCc1ccc(NCN2C(=O)S/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1	3074906	JPZCVPMWJPUDQL-QNGOZBTKSA-N	409.555	5.201	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14465471	CBRTXQZWYYPPBN-WRALFONMSA-N	417.936	6.624	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21	14466887	UOAQWTLVTIIODB-OHUAYANFSA-N	401.120	6.832	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475050	IGQNBRGLSNWWNX-IPJJNNNSSA-N	423.297	6.271	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	14551149	BOUFHCQDRIXCRF-DPLHUUCSSA-N	411.461	5.674	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2	14552364	OYMPAJUXQZXRTP-WZOHSFFVSA-N	412.489	5.485	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2c(Br)cc(C)cc2Br)c1	20487302	LDHJIMYTWVVZQQ-JTQLQIEISA-N	415.125	5.407	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3cccc4ccccc34)[C@@H]2C1	20699001	ZPBYFTKKBBOIFP-UJCCJREASA-N	417.552	7.288	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20708279	AEULOSWULRQMDK-FKCDAAJZSA-N	422.572	6.683	10	10	HKCE	
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2OC)C1=O	33783295	ICARISAYISSBBH-STZFKDTASA-N	421.543	5.653	10	10	HKCE	
CC1=C[C@@H](N=Nc2ccccc2[N+](=O)[O-])C(=N)[C@@H](N=Nc2ccccc2[N+](=O)[O-])C1=N	585341673	GMJVNQZGAAVHPY-KUHUBIRLSA-N	420.389	5.107	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860075915	XOHRZJOPVOBMIC-LFIBNONCSA-N	404.354	5.417	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1CC1	2079743857	OQWTUYYHCFQVCJ-UHFFFAOYSA-N	403.242	5.419	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	2297455733	JERIWRPQOYWGRY-UHFFFAOYSA-N	406.825	5.104	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccccc1Cl	2297561833	HPGRDASDRANFGR-UHFFFAOYSA-N	415.107	6.019	10	10	HKCE	
COc1cc(N2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)c(OC)cc1Cl	2321629396	NNPVDIWJLSTSON-UHFFFAOYSA-N	423.918	5.211	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323681526	WUEDWMLHHBRXMF-ATVPRXPUSA-N	411.514	5.731	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2c[nH]c3ccc(OC)cc23)SC1=S	2323850801	MGUXMLGDCKMHHX-OAHLLOKOSA-N	402.585	5.737	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C(F)(F)F	2332133584	BXJKTFMMQUXGKW-UHFFFAOYSA-N	408.807	5.476	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	14478452	GMOSRYPIVVYIBY-XLNZFTOWSA-N	411.461	5.674	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Br)c2O)cc1Br	708173512	VMDCOAQTMYSTTP-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590972	RJCLQJOEXQPLLT-REZTVBANSA-N	424.418	6.163	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	1865664550	SEOVZVVRMJXKKC-PGMHBOJBSA-N	400.909	6.298	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669445	OKDBPRDEUBBYRF-RCCKNPSSSA-N	417.896	5.510	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1	1865866306	OVEMSBWIKUTTEE-OAQYLSRUSA-N	420.384	5.016	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(N)c2Br)C2(C)CC2)cc1C	2080038435	RBMSKIGTLUQOHK-KRWDZBQOSA-N	406.368	5.237	10	10	HKCE	
CC[C@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C=CSC4=NC3=O)c2C)cc1	2297316988	RPRUOEQNNOUZFB-AWEZNQCLSA-N	404.539	5.385	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	2297348155	NEXDEZLUDNQHDY-UHFFFAOYSA-N	416.572	5.514	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	2321618018	IVZKBLPOBZNYEW-UHFFFAOYSA-N	408.548	5.011	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1O	2321647181	PWKPZKSXDXRALB-UHFFFAOYSA-N	423.515	5.056	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(c2ccccc2)=NN1c1cccc2ccccc12	2332104763	OHPPFQOUYUNKFI-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	2332134295	GZLLAXPMECRVNG-UHFFFAOYSA-N	417.852	5.391	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O	14457501	HLAUFWPVRUAAKC-DFIYOIEZSA-N	418.537	5.244	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14458251	IXBLDLZFOBVUGO-FBLLAGFSSA-N	416.546	5.622	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464462	SBEKMBZEFMXAST-NIRIFSCTSA-N	412.533	5.433	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469456	DOHASHBYCPGDRI-GEBXHLAXSA-N	424.588	6.938	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477843	WJSPCZYXRQKINT-GSHUGGBRSA-N	415.364	6.350	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701736	MQUWUZANBDBFBZ-SXGZJXTBSA-N	404.337	6.560	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703209	ZYFIOZFKFYTNLB-YOSAUDMPSA-N	414.461	5.706	10	10	HKCE	
Cc1cc2oc(=O)cc(CN(Cc3ccco3)Cc3ccccc3O)c2cc1Cl	96970847	NRVWEOAZPBBOLJ-UHFFFAOYSA-N	409.869	5.256	10	10	HKCE	
CC[C@@H](C)N(C(=O)CCC1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917419	PNPSHCIEJVAKPG-GOSISDBHSA-N	417.549	5.954	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	1860085255	ZGCRGZSPKOSAII-FYJGNVAPSA-N	421.543	5.738	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(Cl)cc3)C1=O)cn2C	1860086686	AQNGXAASGFBYLU-GIJQJNRQSA-N	414.939	5.246	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(C)cc2)cc1	1873522595	OJRKQBRHXUUZTO-UHFFFAOYSA-N	412.537	5.497	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1(C)CC1	2079698396	NRTFYCNFEFASOD-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C=O)c2Br)C2(C)CC2)cc1C	2079999939	MVBSBKXOCPCMJD-IBGZPJMESA-N	417.347	5.438	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2scc(Br)c2Br)cc1	2163140397	ITMDFRBFASRUOP-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(C(C)C)C2=O)cc1COc1ccc(F)cc1	2297110681	OBMNMYOGMPJMIJ-UHFFFAOYSA-N	417.527	5.023	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccc(Cl)c1Cl	2313577386	LQURHWVPOPCCQL-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2313617615	HJTCNFGKGMZVDK-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c1	2332116591	FZYNDWPXJDDFAP-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(CC)N=C2c2ccccc2)cc1OC	2332124380	XADCJSKIYZAEML-UHFFFAOYSA-N	406.526	5.304	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc(Cl)c2)[C@@H]2CC=C[C@H]32)CC1	14460455	JWAJSKNXCFUJGA-MZKRTTBSSA-N	406.957	6.039	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14465475	CBRTXQZWYYPPBN-SGIRGMQISA-N	417.936	6.624	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21)C1CCCCC1	14474317	NGTMWJIMVJVGKK-JXQFQVJHSA-N	402.538	5.623	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477134	LMEUXLTWQQZTTF-HOOSLVGPSA-N	416.392	7.779	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	14477696	UQXIONGMEPETGV-OHUGHZGNSA-N	422.355	7.399	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1	17083117	RRPGJZGPJFAEMN-LICLKQGHSA-N	405.241	5.010	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	19888359	OWFLNCQFUNDERZ-SXGZJXTBSA-N	416.315	5.301	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2	20706644	BZJUAIIRANBGNU-IECBHUPTSA-N	418.518	5.020	10	10	HKCE	
Oc1c([C@@H](Nc2nccs2)c2cccc(Br)c2)ccc2ccccc12	59386873	VPVBDCFEQUGXPL-SFHVURJKSA-N	411.324	5.966	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)c(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911206	TZTYGHCSFVYULG-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c(C)c1	1860084763	JGGSNFGWDWCTPC-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
CCCCCCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1	1874154302	GKZFPSKJFZQADB-UHFFFAOYSA-N	420.553	6.314	10	10	HKCE	
Oc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1F	2092326603	OWXJNHPEHNRJEN-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2c(N)cccc2Br)C1	2106215677	KOXGBBDGWUUWTC-JXFKEZNVSA-N	424.383	5.013	10	10	HKCE	
CCOc1cc(C=C2C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1	2293188522	WRSVLNHFMYAGKR-UHFFFAOYSA-N	416.448	5.785	10	10	HKCE	
COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1	2293320675	ORBFWEYTWQLDIO-UHFFFAOYSA-N	421.499	5.139	10	10	HKCE	
Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)o1	2297303257	KYXCEFWBIJQCAE-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
O=C1C(=Cc2ccc(Br)s2)SC(=S)N1c1cccc(Cl)c1	2313610550	ZEIGAYLHDODDFZ-UHFFFAOYSA-N	416.774	5.570	10	10	HKCE	
CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)Nc2ccc3ccccc3c2)cc1	2314566006	VWXDKSBWTZYFJT-UHFFFAOYSA-N	415.537	5.048	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1ccc(F)cc1F	2321755714	BFQSZOYSMFMFOW-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	2332105317	VCHFQHDNQYOTNX-UHFFFAOYSA-N	402.881	5.184	10	10	HKCE	
Cc1ccc(CNc2cc(NC(=O)OC(C)(C)C)ccc2N)c(O)c1Br	2352619775	JLZKWVWMZAXFMA-UHFFFAOYSA-N	422.323	5.004	10	10	HKCE	
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1cccc(F)c1	3101296	ZTGQCKOGJKPMNX-NVNXTCNLSA-N	413.326	5.403	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21	13637465	HCRZMJVSKRJNSX-WRALFONMSA-N	410.517	5.491	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469151	XBUXYFZDGWNJAA-XHGXUTKZSA-N	407.510	5.624	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14480393	JMUBKEXAWIKJQM-VYKTZEHYSA-N	408.545	6.393	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710519	KVKAAEORUYBRCM-GGUMNFRJSA-N	416.452	6.139	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21	20713193	NBRUXGAUFBCOTC-PNCHPQGNSA-N	417.509	5.484	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1	39372927	NHPIGCWGPQRFJS-JYBIWHBTSA-N	413.477	5.000	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1	96505339	XJYOHVVRGYEXBA-NXVVXOECSA-N	405.501	5.599	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226741272	QOGDSNMFKOEYEO-UMEGOILYSA-N	406.526	5.293	10	10	HKCE	
CCOC(=O)c1cc(-c2cccc(F)c2)n(-c2ccccc2)c1CNc1ccccc1	606654352	CIGVQGHWUHMYLL-UHFFFAOYSA-N	414.480	6.072	10	10	HKCE	
CC[C@H](NCC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	723948008	NXVBDEKLDIGCGJ-NQIIRXRSSA-N	417.391	5.108	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591633	JTVFIYQUGHNOCU-RQZCQDPDSA-N	418.465	5.588	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656452	LFMFQCXIXRYFOL-PXLXIMEGSA-N	402.881	5.179	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865666686	RYKHKKNAJNOAEG-WJDWOHSUSA-N	416.786	5.547	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865677687	XKXDOMIPOAXYDF-AQTBWJFISA-N	423.299	5.529	10	10	HKCE	
Cc1cc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1C=CC(=O)O	1946824478	PAQCGDWKWOCTRQ-UHFFFAOYSA-N	414.549	5.231	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1F)Cc1ccccc1	1946825002	WVVNRQHDHXZKJH-UHFFFAOYSA-N	418.512	5.062	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1CNC(=O)OC(C)(C)C	2239850732	BQDWQCXEKNRJDQ-UHFFFAOYSA-N	411.329	5.644	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3nc4ccccc4s3)o2)C(=S)N1c1ccccc1	2314485837	DTDPVAAQVFUQNY-UHFFFAOYSA-N	420.540	6.598	10	10	HKCE	
CCCCCCOc1ccc(N=NN(Cc2ccccc2)Cc2ccccc2)cc1	2330221656	FMPKKVGRYAYODN-UHFFFAOYSA-N	401.554	7.347	10	10	HKCE	
CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1	6721739	PJJBDLPWNGRRFT-SQJMNOBHSA-N	416.477	5.042	10	10	HKCE	
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)c1	10122550	RIRGMPZFDSLXSU-CYYJNZCTSA-N	418.522	6.016	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Br)o1	10910083	POPSUOVUDZWZRD-NRFANRHFSA-N	422.278	5.420	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639139	NGMCIMBNEOGSOY-VIZSFHNOSA-N	412.371	6.701	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639178	LYKAPODVLXHMMH-UEXGIBASSA-N	400.316	5.301	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O	14457500	HLAUFWPVRUAAKC-WZOHSFFVSA-N	418.537	5.244	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14463947	ORXMYWYUEWQJHG-PXARDIRTSA-N	400.736	7.627	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14544781	HHSIAMOENSXZMH-YIGJPRQDSA-N	421.566	5.025	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCCC1	14548070	SVSHSLAUPPJOCG-YRTUYQHASA-N	424.544	5.998	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686530	MBTFNLYYTKMPNR-PLXFJCCSSA-N	423.560	5.509	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1sccc1C)[C@H]1CC=C[C@@H]21)c1ccccc1	20688549	OGPNGOSWNYBSPE-PTLVVNQVSA-N	414.574	6.550	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1OC	59230236	NRJAVEMKAISNCL-ZHZULCJRSA-N	418.880	5.192	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226685889	BDSRJJNHYHJJPJ-BEYSDYMESA-N	415.621	7.788	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226892773	QBOZCCQNVCNLGQ-YDIMBITNSA-N	402.538	5.538	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CC[C@H](COCc3ccccc3)C2)c(Br)c1	384165470	RMOFNBHCMGYVCJ-MJGOQNOKSA-N	417.391	5.163	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	1860085919	UGLRNGPLOXVWPA-RCCKNPSSSA-N	402.544	5.387	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665695	HFCOIGKUENJLJT-PXLXIMEGSA-N	416.908	5.487	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	1865665718	IFYSFJFMWWHQQW-XFFZJAGNSA-N	419.617	5.995	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2c(O)cccc2Br)c1Br	2079836467	CXURGYNEQACKCR-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079998991	FMYGZDWSDTUYKW-FQEVSTJZSA-N	417.347	5.438	10	10	HKCE	
Cc1c(Br)ccc(NCc2cc(Br)cc(F)c2O)c1C	2154857052	FQMLCCZXBDZCCU-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl	2321664084	FECWHANCSSFFRR-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc(F)c2)sc(C)c1-c1ccc(C)c(C)c1	2321853778	HZZKGCVCDKOJHP-UHFFFAOYSA-N	423.509	5.918	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1cccnc1	2323766089	KEUIEXFALYXTNN-UHFFFAOYSA-N	418.543	5.062	10	10	HKCE	
CCCCCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2CC)cc1OC	2332114218	FOLLYVJLZVAZKY-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1ccc(C)c(Br)c1O	2380800194	GHXPFPBFGSFKMH-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467620	MTWOPORRYHVGDA-BBEGDGIKSA-N	403.309	5.275	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544877	WIYNHHFDVCJJIA-ZHCYEPILSA-N	419.528	5.924	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547071	OTFVXVKMUPNUAH-DOQJBMMISA-N	401.337	6.559	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@@H]2C=CC[C@H]21	20750444	NGKJMTLLGWFGTD-JKZMBRCKSA-N	416.348	6.378	10	10	HKCE	
Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O	33458503	CPLSHJHKHSVBTQ-FYJGNVAPSA-N	421.543	5.568	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	59396494	TZDKJJOEPGDPCF-AQTBWJFISA-N	403.956	5.925	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	59397605	GBGNKCFATPPUPG-WZMONFQBSA-N	400.491	5.176	10	10	HKCE	
O=C1/C(=C/c2cc(Cc3ccccc3)ccc2O)SC(=S)N1C1CCCCC1	83327547	IAZPCHILLMXJPX-QNGOZBTKSA-N	409.576	5.517	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C	252428575	NNFPJXDINMZRRM-CQSZACIVSA-N	409.490	6.081	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(C)CCCOCc2ccccc2)cc1Br	384069717	LPTIZTVOWVJFNO-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2c(Cl)cccc2Cl)cc1	1865664467	DSFZGBMDSIUHIS-GHRIWEEISA-N	424.287	5.232	10	10	HKCE	
COc1ccc(N2N=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	1865668693	KUAYRCXKSVCISY-PCLIKHOPSA-N	412.489	5.389	10	10	HKCE	
COC(=O)c1c(NC(=O)C2(c3ccc(F)cc3)CCC2)sc(C)c1-c1ccccc1	1866217097	HQUPRJOWJOCFNA-UHFFFAOYSA-N	423.509	5.710	10	10	HKCE	
CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c1	1874155245	PLEGHEGABDNXHI-QGZVFWFLSA-N	420.509	5.310	10	10	HKCE	
CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c2cc(F)ccc2n1	1891438425	SROJHGDNOUPICU-RXVVDRJESA-N	417.528	5.416	10	10	HKCE	
O=C1C(=Cc2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(F)c1	2297295847	HTDPQTYNWZWZRR-UHFFFAOYSA-N	415.514	6.538	10	10	HKCE	
O=C1C(=Cc2ccsc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2321643888	OUCTYOWRMSILKH-UHFFFAOYSA-N	405.875	5.826	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2321665905	NOXYRIFKJWXMHC-UHFFFAOYSA-N	418.927	5.777	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)cc1F	2321755817	MWYUUTUBVUKXJR-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CCCCOc1c(Br)cc(C=C2C(=O)N(CCC)N=C2CC)cc1OC	2332114594	VWGSUJZPMYPKHP-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNCc1sc(Cl)cc1Br	2343817745	PAEACIJWIQZZSO-UHFFFAOYSA-N	401.540	5.466	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456894	LXIYAHJBXQKDQW-ROKPMTFOSA-N	400.547	6.160	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCOc4ccccc4)c3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545045	IYYUZQOKRUNVCI-ZIHSNCGMSA-N	422.528	6.452	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20713327	PUWUFPAPGHXULS-PNCHPQGNSA-N	417.509	5.438	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226885950	GMSKQEITZNDWNU-UQNRQAKVSA-N	421.566	5.071	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2)c1ccccc1	226907358	YBBVWSWBIPMBOB-NMMYMHLASA-N	400.547	6.241	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2ccc(NCc3c(O)cccc3Br)cc2C1	706872499	QROFLZNGKDJMGP-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669161	FFZCVFUWKNVZBA-HYARGMPZSA-N	410.945	5.957	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	1865673573	LZAXBGCEXDONAH-XHPQRKPJSA-N	423.560	5.671	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(CC)cc1	1865674985	IUXPWPZTEUDKSX-LDADJPATSA-N	401.337	6.138	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)c(Br)c1	1915275189	ZGQYSMPELKWDCL-VGSWGCGISA-N	419.407	5.143	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915509316	MHWZLYUGKQWCKY-MAUKXSAKSA-N	403.364	5.043	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S	2296426024	VHEDJQFNTKKAHK-UHFFFAOYSA-N	408.342	5.320	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1C	2296733630	LDBIRIBRGMXCLT-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)SC1=S	2297299269	LFZSBOVLKQGJGG-UHFFFAOYSA-N	408.342	5.239	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1Br	2297459135	GAUPIIKIGYLTQB-UHFFFAOYSA-N	412.331	5.101	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321692147	GAJIWPFKUNDNJN-UHFFFAOYSA-N	423.481	5.898	10	10	HKCE	
CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116502	VZEKXGLQUQZYTL-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)c1	2332119162	JQEJHFKHXOSSMU-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
COc1cccc(-c2cc(C(=O)NCc3ccco3)c(C)n2-c2ccc(F)cc2)c1	4780581	COYLAOXFIPQOHH-UHFFFAOYSA-N	404.441	5.123	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	14465453	KWXJRSKJJGVMJM-OASJLCFRSA-N	415.964	7.178	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473275	QJOQQLQXAFOCTC-PNLZDCPESA-N	414.889	5.490	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477124	OWHLLPJFGCKNRP-PJSUUKDQSA-N	401.337	5.960	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@H]2C=CC[C@@H]21	14546212	WMNSEUFSNRABMM-WOVHNISZSA-N	424.544	6.391	10	10	HKCE	
CCN(C(=O)c1ccccc1-c1ocnc1C(=O)N1CCCCCC1)c1ccccc1	65080268	SWIIRIXXAJPXRJ-UHFFFAOYSA-N	417.509	5.025	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	251320927	GTFSXTJKNIFVPV-AUZXGJTBSA-N	416.974	5.243	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860085596	BZJBDBSBQGWEBI-VGOFMYFVSA-N	410.303	5.097	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	1865656954	YFYZGSKCBGJVDZ-WQLSENKSSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664958	UOBUBYZDHQPNNP-NBVRZTHBSA-N	409.316	6.733	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2[nH]c3c(c2c1)CCCC3	1874180816	SOHTYYUQMBBUSN-UHFFFAOYSA-N	420.468	5.074	10	10	HKCE	
CSc1ncc(CN[C@H]2CN(Cc3ccccc3)C3(CCCCCC3)C2)s1	2284702065	FQXNSBQZDWJETM-LJQANCHMSA-N	401.645	5.322	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)c1	2294277062	RKXWVNLHKFBHJU-UHFFFAOYSA-N	415.876	5.598	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S	2297500275	XBNZRKXPQGURRP-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
COc1ccccc1CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2318684216	VCMCWWMUMGTYJL-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332104752	NTZXMMKKEYCTCV-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116354	FAUIJDCFPVIKKV-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC	2332124420	AMINDJXGNNSHAG-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	2332139498	NAAQNJISSIKKKH-UHFFFAOYSA-N	400.909	5.733	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332139547	RRMSGDPNCIFCDR-UHFFFAOYSA-N	400.909	5.733	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466692	GCEGGVGBEWRVRS-YDIMBITNSA-N	408.973	6.429	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468910	NYUBYVFQVRAGES-DFIYOIEZSA-N	407.510	5.626	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2)c1ccccc1	14479081	MADRRKGBQRSKAN-XFAFFCHDSA-N	408.545	6.488	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccnc2)[C@H]2CC=C[C@H]32)cc1	14547442	HGNNSUOJJXSWSL-AWRGLXIESA-N	411.505	5.559	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc(F)cc1	17087995	QYXPFGAIQZACCF-XSFVSMFZSA-N	408.502	5.002	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	20695861	IMPPOLCQKRFDTC-LPMFXHHGSA-N	401.260	5.198	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703204	ZYFIOZFKFYTNLB-JXALWOEJSA-N	414.461	5.706	10	10	HKCE	
CCCC[C@H](CC)CNc1ccc(NCCC(C)C)c2c1C(=O)c1ccccc1C2=O	38643593	PYYYAKHJCLDAGG-IBGZPJMESA-N	420.597	6.548	10	10	HKCE	
CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2ccc3ccccc3c2)cc1	39882034	VWXDKSBWTZYFJT-XQNSMLJCSA-N	415.537	5.048	10	10	HKCE	
CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2O)N1	53364840	KZCJJZRQAGPNKE-WIOPSUGQSA-N	402.494	5.022	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc([N+](=O)[O-])cc3C)c3ccc(F)cc3)c(O)c2n1	54621813	HPELWLZIWUXSKN-QFIPXVFZSA-N	417.440	5.806	10	10	HKCE	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	59397739	KCZOFIGFPQYPML-AUWJEWJLSA-N	417.836	5.904	10	10	HKCE	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	206295985	CEHRLCHZQHGRLZ-UDWIEESQSA-N	407.516	5.263	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385514871	PZVZXNONONFJRW-QGZVFWFLSA-N	401.392	5.754	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc(OC)c1OC	1858590349	LDYSWALIINZVRT-LFIBNONCSA-N	423.600	5.128	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1	1860083893	COGJDHAJVIPXBK-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(N3CCC(C)CC3)cc2)cc1OCC	1860493520	PXFCKZXHJXRCEP-UHFFFAOYSA-N	410.562	5.742	10	10	HKCE	
COc1ccc(N2CCN(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)cc1	1891905777	ZZVQVQSGVOKEPC-UHFFFAOYSA-N	408.586	5.253	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915398859	MGLXLZBAGQAUTL-UHFFFAOYSA-N	401.373	5.437	10	10	HKCE	
CC(C)c1c(C2(C)CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079730856	PSXUIWISIOFANV-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(N)c2Br)C(C)(C)C)cc1C	2080030268	KOCONEUKYDKTRH-KRWDZBQOSA-N	408.384	5.483	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100219280	JUPPBXHSIPDLPQ-FCHUYYIVSA-N	417.391	5.131	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2C)SC1=S	2314433911	XGKSSEYEUKNGGE-CVEARBPZSA-N	401.597	5.812	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC	2332124646	ZWTYDXAPBUHCPT-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)C(c2ccccc2)=NN1c1ccc(Br)cc1	2332140693	BWZPFWCQYRDBTJ-UHFFFAOYSA-N	421.269	5.423	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2OC)cc1	2332143250	IHPNMAVGPMRUGR-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	13636437	QIOYETROIBUCOB-UMFSSWHCSA-N	410.517	5.798	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	14553651	XHKKCMFPTRFMBZ-CLCZQPDDSA-N	424.544	6.473	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1	226715618	GBHQWQRRVLANQX-LAOBSVPGSA-N	418.581	5.917	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226879410	SDBMTHPUNUVJGX-KHCICDEESA-N	406.526	5.060	10	10	HKCE	
Cc1cc(C)c(OCC(=O)Nc2ccc(N=Nc3ccccc3C)cc2C)c(C)c1	254452021	ONQDHAOENFVWBX-UHFFFAOYSA-N	401.510	6.662	10	10	HKCE	
O=C(O)/C=C/c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	309790629	BBTIGANJXPWGHS-WYMLVPIESA-N	422.322	5.754	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2cc(NCc3cc(Br)ccc3O)ccc21	380632158	BSRXOXKOPGJANE-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385573674	QXWTWYDGSWZKKN-MSOLQXFVSA-N	415.419	6.315	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cccc(Cl)c3)C1=O)cn2C	1860085819	LQPSRFDYNVECOJ-QGMBQPNBSA-N	414.939	5.246	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	1860086163	NTFYPEUPTUMGSU-LTGZKZEYSA-N	422.619	5.990	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1	1865664795	LGXCIMJYIXSUDN-RGEXLXHISA-N	407.300	5.824	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100218218	BFIQHGHBAUXYSR-GQWLDOHISA-N	418.375	5.323	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)C1=Cc1cccc2ccccc12	2293488579	CLULFDHSDOJNRT-UHFFFAOYSA-N	411.501	5.724	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccco2)sc(C)c1-c1ccc(Cl)cc1	2295530507	UGMBYRPIHJWYHF-UHFFFAOYSA-N	401.871	5.408	10	10	HKCE	
Cc1ccc(C)c(OCCn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)c1	2297319003	NWASTWKKYSLWMH-UHFFFAOYSA-N	408.501	5.830	10	10	HKCE	
O=C1C(=Cc2ccsc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2321698283	MSEHDADKZWQIKE-UHFFFAOYSA-N	409.557	5.733	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	13641347	KCTICKCUDMQUAY-IMWIBFENSA-N	409.526	5.574	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464529	POBILPMSIQMFII-NNPDTBDGSA-N	416.952	7.058	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@H]3C)cc1)CCCCC2	20532507	SNQSGRMQWHYHFE-OYRHEFFESA-N	421.629	5.437	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21	20718443	XRSFFHGWAMKICL-PMAPCBKXSA-N	406.323	6.437	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754502	KUVKBCDMDUBNNR-TZBSWOFLSA-N	412.508	5.924	10	10	HKCE	
Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3O)CC2)cc1F	34683635	QTXXCACOSKHEGV-UHFFFAOYSA-N	418.512	5.151	10	10	HKCE	
Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@H]1COc2ccccc2O1	96662883	ZYMOUWKZPLFJNE-HGMDMCOWSA-N	420.896	5.091	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829918	QNRZBEILOWIELE-ZOCZFRKYSA-N	417.336	5.196	10	10	HKCE	
Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)COc2ccc(Cl)cc2)cc1	1857992626	VPHATGLVJJMFPJ-UHFFFAOYSA-N	419.912	5.058	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1	1860073555	QONPXXJFQCITOQ-KGENOOAVSA-N	424.591	5.137	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085940	WTPQAPWRGUMVFV-DEDYPNTBSA-N	424.497	5.356	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	1860086014	CZQKTNHGZFYSNE-XMHGGMMESA-N	412.605	5.415	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1	2154529482	QYQZBPXEOGMTNT-LJQANCHMSA-N	405.369	5.376	10	10	HKCE	
CSc1ncc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C23CCCCC3)s1	2284701165	YYZMJPUNRUCRSR-INIZCTEOSA-N	411.637	5.057	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2cc(C)c(Cl)cc2OC)C1=O	2318756078	FTFJHMDWMHJLHH-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	2321754096	YBJFPKPGTCPSIS-UHFFFAOYSA-N	419.453	5.067	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099338	LFMFQCXIXRYFOL-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332129711	FMXDBERSJOPEKT-UHFFFAOYSA-N	409.961	5.768	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21)N1CCCC1	1064689	UNOROEPJHJHSTA-UEXGIBASSA-N	423.354	5.512	10	10	HKCE	
CCCCCC[C@H](C)Nc1ccc(Nc2ccccc2)cc1SCCC(=O)OC	5860419	ZLFIHRGOKFBJSC-IBGZPJMESA-N	414.615	6.856	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2	13636298	IKRDYYSCGBNWBP-RQTOMXEWSA-N	404.554	5.784	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458099	HUGTUZHZAMYDRO-XZNRUFCYSA-N	424.610	5.515	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460866	IMPPOLCQKRFDTC-KSMMKXTCSA-N	401.260	5.198	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2O)[C@H]2CC=C[C@H]32)cc1C	14474361	RTYQUEMMYKYCLL-RLSLOFABSA-N	410.517	6.088	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1OC	14479537	VPVGPFHQLWJVOW-KSYXXAMZSA-N	407.510	5.088	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20697871	FUVXEWZPNGLINM-RQTOMXEWSA-N	422.594	5.421	10	10	HKCE	
CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)c[nH]c12	38181687	GJDKNIOZHMVWHP-RQZCQDPDSA-N	407.857	5.199	10	10	HKCE	
C[C@@H](NCc1cc(Cl)cc(Br)c1O)c1ccc(Br)cc1	708111498	SPRFNLSOYCGXPI-SECBINFHSA-N	419.544	5.421	10	10	HKCE	
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	1858590006	STIUIGQYMZEGKO-SAKJISMLSA-N	423.603	6.046	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667031	APLYFCIDWZMKNL-HAVVHWLPSA-N	406.485	6.198	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672359	YKLZCXDBUWUNRT-HYARGMPZSA-N	420.553	5.681	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)cc1Br	1915410054	KQDNUQQGVLVMQP-ROUUACIJSA-N	419.407	5.287	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(O)cc1	2318756105	HCMDRELLSAXNQG-UHFFFAOYSA-N	419.527	5.377	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(C(C)C)cc3)C1=O)cn2C	2321643841	ZNYDLVCQVQTSMV-UHFFFAOYSA-N	422.575	5.716	10	10	HKCE	
Cc1ccc(CN2CC[C@]2(C)CCOCc2ccccc2)c(O)c1Br	2327600010	QIIZPLDJEMZWMK-OAQYLSRUSA-N	404.348	5.034	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1c1ccccc1Cl	2332100176	TVRLCCPDDFWHJI-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cccc1OC	2332117441	HDTCITBIRCSSCV-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(F)cc1F	2332129534	MRWVGUSXRNDKRG-UHFFFAOYSA-N	405.242	5.314	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141591	ICJBVCXUEOGVCP-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CCCCC3)cc1	2909663	MZYDOUHOJGUWCE-UHFFFAOYSA-N	424.566	6.182	10	10	HKCE	
O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccccc1F	3002075	IYOGDBMVPISBJL-SFQUDFHCSA-N	413.520	5.976	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13644699	UPGBOXYWRSBAPH-QXTIUPHPSA-N	424.588	6.591	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462192	WTDKQOWJOZIHJY-VUDCNRLCSA-N	417.597	5.888	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462299	WIELDVWTCBABHY-ZEVJAHDQSA-N	417.597	5.841	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	14466893	UOAQWTLVTIIODB-LYOVBCGYSA-N	401.120	6.832	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	14477976	OESCYOPBCJNBJJ-LXIYXOSZSA-N	418.234	5.026	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2cc(O)ccc2O)c(Br)c1	20487319	ANMRKZVMBUUYGX-VIFPVBQESA-N	401.098	5.104	10	10	HKCE	
O=C1N=C(O)/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccc(Cl)cc1	33929785	NGINYNIDBPCKCW-ZHZULCJRSA-N	418.836	5.639	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385478439	FQQQFNNZEGOBIX-SFHVURJKSA-N	415.419	6.000	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	1865654139	HVOOOQQFUKFFMK-SILNSSARSA-N	401.897	5.241	10	10	HKCE	
CCN1N=C(C)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)C1=O	1865666914	ZFZPAVSLFIUVQH-XNTDXEJSSA-N	419.308	5.202	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1	2034782765	MBEDICJUDSOJBT-UHFFFAOYSA-N	402.332	5.600	10	10	HKCE	
CCNCc1ccc(N(C)Cc2ccc(Br)s2)c(Br)c1	2156989860	GHPFVGLYIAGARD-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
CC[C@@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1	2296398147	WQBYEXBMKKTEMX-CYBMUJFWSA-N	419.554	5.247	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2321579685	NJNCJNOXPOLJTF-UHFFFAOYSA-N	424.635	6.236	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	2321638196	OGQRKTFNOHTKEX-UHFFFAOYSA-N	410.608	6.062	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1	2321720093	PSHDYRZVRJAWKY-UHFFFAOYSA-N	417.939	5.311	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	2323842865	MQJJKUOWAGMDBI-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	2332127704	ZKOFXQHSCZEXBI-UHFFFAOYSA-N	405.228	5.712	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(CCC3CCCCC3)C2=O)c(C)cc1OC	2815652	SHYFCNGXEXFFJV-XSFVSMFZSA-N	419.612	5.574	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469661	ZYFIOZFKFYTNLB-DCLXLUIPSA-N	414.461	5.706	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477840	WJSPCZYXRQKINT-HYFFOGBASA-N	415.364	6.350	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	14550741	ZURNVRSBSSXNDE-MZKRTTBSSA-N	411.461	5.674	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(NCc4ccccc4)cc(NC4CCCCC4)c1c23	20322307	FMALBMOBKKKEJG-UHFFFAOYSA-N	423.516	6.396	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	20698733	OMNAGYWTTHIUHZ-LSCGWGKXSA-N	422.572	6.729	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)SC1=S	33419784	INUBHOMRVFUSDF-QGOAFFKASA-N	419.955	5.019	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4cccc5ccccc45)c2c1N)CCCC3	96586983	ZYXIIQSHWXDEIR-UHFFFAOYSA-N	402.519	5.754	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc2ccccc12	103373567	MCDYQSYLKQNAAC-XLNRJJMWSA-N	418.452	6.219	10	10	HKCE	
Nc1ccc(N(C(=O)N/C=C/c2ccccc2Br)c2ccccc2)cc1	217856936	GVNYLDRNOLAVOL-CCEZHUSRSA-N	408.299	5.550	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1O	226720255	BOZXTOHFXVPARW-IEGUWTFLSA-N	418.537	5.244	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1	312216119	QOEMAPBYNMPVFY-UHFFFAOYSA-N	411.329	5.378	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC12CCC2	379937947	NXZMAWXFDQHDDF-HNNXBMFYSA-N	415.361	5.111	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079033052	OFIRDAHYBRPXDB-SFHVURJKSA-N	404.938	5.414	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCN(C)C)Cc2ccccc2)cc1Br	2095859562	JHBBRZVHTNPPAG-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	2313609778	MZHILFPGSXIQCB-UHFFFAOYSA-N	422.962	6.489	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321635286	FGKLQKNRQJACHL-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	3070919	ARCKRZFPRJVRRB-MHZLTWQESA-N	411.501	5.392	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2	13636570	VGMDCEFCTYHCAV-IMSXRSKXSA-N	418.518	5.020	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14475715	RZTATADRIUJLOK-YDIMBITNSA-N	400.434	5.919	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476190	OPEFMRNBATXFQU-SAHWJRBASA-N	407.470	5.112	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1Cl	14477148	RLWOLQQOEWQZQB-XHNVNVPESA-N	422.355	7.399	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1	14552496	ZKJXJXVMFKVYRB-DPZBCOQUSA-N	424.544	6.473	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363167	FXQOWOXUZXYGTJ-NOZRDPDXSA-N	420.940	5.839	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226702112	UQTUSTXKRBUXFV-SXGZJXTBSA-N	417.336	6.120	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	226721784	DJHRQRPGPHPVNF-ILDGYLOQSA-N	424.544	5.575	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	1860083905	DJDLFLSHKSYGHJ-GZTJUZNOSA-N	418.381	5.978	10	10	HKCE	
CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1	2296887281	HKJGCWZUJLPCAB-IXCJQBJRSA-N	407.561	6.554	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	2321672182	CLWOAVFDJYZOAE-UHFFFAOYSA-N	423.481	5.898	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323681500	VGCWWICOJATJSN-ATVPRXPUSA-N	422.413	5.475	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	13641777	OGEBEVSBHQQMDB-PNCHPQGNSA-N	422.525	5.133	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14551022	SDOVKRGHZITIAY-ZEVJAHDQSA-N	418.537	6.771	10	10	HKCE	
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	32125494	QOEIODXPCHCUMV-CLCZQPDDSA-N	415.964	7.362	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1	33374912	KLPUQTCZULSGAW-YZDZUVNUSA-N	404.278	5.420	10	10	HKCE	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CC1	96569659	OWNCBMANUFNHER-WQRHYEAKSA-N	401.940	5.283	10	10	HKCE	
Cc1cc(C)c2nc(Cl)c(/C=C\[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1	103519196	UKMJEINYWUBPSF-HAAQQRBASA-N	417.940	5.142	10	10	HKCE	
C[C@H](NCc1cc(Br)ccc1O)c1ccc(NC(=O)OC(C)(C)C)cc1	311267818	DMERAOXNKUFIOL-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
Cc1ccc(O)c([C@@H](C)Nc2c(Br)cc(Cl)cc2Br)c1	312153730	KBZHNOCOUVAKJQ-SECBINFHSA-N	419.544	6.052	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc1	1865669122	COSPEQMMKGMOON-MOSHPQCFSA-N	416.443	5.436	10	10	HKCE	
COc1ccc(-c2ncccc2C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc1	1866165873	UNNVXBMHASEVHV-UHFFFAOYSA-N	409.489	5.183	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1C	1874151209	HMJLXRHDGTUSEE-UHFFFAOYSA-N	420.509	5.168	10	10	HKCE	
O=C1C(=Cc2c(-c3ccccc3)nc3sccn23)SC(=S)N1c1ccccc1	2040474937	VSAPPGFUNUKXJE-UHFFFAOYSA-N	419.556	5.469	10	10	HKCE	
CC(C)Nc1cc(C(=O)C(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)ccn1	2059921117	ZARHCCCRCHXUEB-UHFFFAOYSA-N	424.500	5.700	10	10	HKCE	
CCN1C(=C2SC(=S)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21	2295103368	XLRKRNRDAMJPMD-UHFFFAOYSA-N	404.969	5.506	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)ccc1F	2318756127	HWGICBSIZVJHBJ-UHFFFAOYSA-N	412.555	5.530	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1	2318756508	OANFWFCDFASIMB-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332098182	XQVDHTOGCADCNX-UHFFFAOYSA-N	424.125	5.952	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccccc1F	2332140871	QYFIVUBYICBKJQ-UHFFFAOYSA-N	424.397	5.675	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147478	GPGXMCFMXABDOP-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CCCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H](C)CC)ccc21	3585584	XDSJIJKLEIAHQI-NRFANRHFSA-N	423.670	6.545	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476636	OLJDLTFHSDPRPT-MVOZIGHISA-N	411.545	6.881	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543328	LMZZFNIEIQKSLT-HFMPRLQTSA-N	402.538	5.538	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550646	DJNDYFWDSPWWDC-FXSPECFOSA-N	410.517	5.798	10	10	HKCE	
Cc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	20943380	CQBYKAWVTQIBIC-UHFFFAOYSA-N	401.432	5.743	10	10	HKCE	
Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1CCc1cccc(Cl)c1	43223906	VLZULEKWFSTPFA-UHFFFAOYSA-N	407.945	5.059	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226723537	AULNOFZTNSPIKG-FAKFISEUSA-N	408.929	5.075	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226834090	HWUSAPDVRQJHBZ-PZPWOCDFSA-N	401.337	5.960	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226888002	OSLXBQQGKMCOIV-OHUGHZGNSA-N	410.517	5.452	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(N(C)C)cc2)cc1	526310905	WZWWNGKSEHZCIW-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	1084608227	NKMCOLAKTRYGIK-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H](C)c2ccccc2O)c(Cl)c1	1088733022	GTLVUUTXTMIJHA-KRWDZBQOSA-N	410.970	6.314	10	10	HKCE	
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)O)sc3n2)cc1	1857847850	CSRURWHYFZYJHW-UHFFFAOYSA-N	410.882	5.573	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cccc(Cl)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916744	CSOOLRGIKWFLJB-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cc(Cl)ccc1Cl	1860084953	BBSSRBXCKLTYBA-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	1860085736	WWHGQSKYSDKBMQ-LTGZKZEYSA-N	424.591	5.481	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCCO2	1865672072	YKSFRXBFOKRRBQ-XNTDXEJSSA-N	417.292	5.351	10	10	HKCE	
CN1N=C(c2ccccc2)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O	1865674671	REYMTXNAFYSNGY-BWAHOGKJSA-N	418.496	5.679	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(OC)c(C(C)C)c2)sc(C)c1-c1ccccc1	1865974461	WEGPMYSKGFJLCQ-UHFFFAOYSA-N	423.534	5.894	10	10	HKCE	
CCCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	1891468904	AQEKTZRVWVRZGZ-UHFFFAOYSA-N	422.959	5.443	10	10	HKCE	
O=C1C(=Cc2c3ccccc3cc3ccccc23)SC(=S)N1c1ccccc1F	2297576542	KYZHZCBSURDUNW-UHFFFAOYSA-N	415.514	6.538	10	10	HKCE	
Cc1cc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-]	2330246666	YWNGLSOCRRQKNH-UHFFFAOYSA-N	415.497	5.309	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332129446	CIGQOVWHCUZPMY-UHFFFAOYSA-N	402.322	5.467	10	10	HKCE	
O=C1/C(=C/C=C/c2ccccc2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1	1178889	KRISLZBPZQUQSR-LHQXNBGVSA-N	403.290	5.221	10	10	HKCE	
O=C(CCCOc1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	5775379	WFTQGQUSLPFRMS-HHHXNRCGSA-N	411.501	5.610	10	10	HKCE	
Cc1cccc(C)c1OCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	5943078	KKOQSEYVTYETTP-SANMLTNESA-N	411.501	5.447	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	12469991	BLKDOXOURHNXEJ-JCMHNJIXSA-N	404.922	6.297	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644020	HZDSOQFURXNGGL-SGIRGMQISA-N	415.581	5.642	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14460768	SUQCYJHRKGZEFV-HYFFOGBASA-N	413.359	5.827	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467602	UXMGBOVNICWEOZ-IAMHBRQHSA-N	417.336	5.664	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469653	LYTZXRPXJWKEMF-AOJNWGRGSA-N	401.937	7.054	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21	14548677	LDEYEZRUJFHKEB-WWEVIYMKSA-N	400.547	5.547	10	10	HKCE	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/CCn2c1nc1ccc(Cl)cc1c2=O	96759175	OCDOWIKVTTXYKK-KAMYIIQDSA-N	423.303	5.142	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1)N2	226793831	VGMDCEFCTYHCAV-ZFGGDYGUSA-N	418.518	5.020	10	10	HKCE	
Oc1c(F)cccc1CNc1ccc(Cl)c(I)c1Cl	2093949394	AYJMQUUUVWPAAL-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
Brc1ccc(OCc2cccc3ccccc23)c(/N=N/c2ccccc2)c1	2295356039	GOOZWDAXSPQKFG-OCEACIFDSA-N	417.306	7.597	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321665982	YHWWIQVNKGTYSK-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	2321672434	VZKVAAIEVVKRHG-UHFFFAOYSA-N	416.571	6.398	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(C3CCCCCC3)C1=O)cn2C	2323739751	KLOAMUGODGTKLM-UHFFFAOYSA-N	400.569	5.111	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332100101	KOZODICXXBAWHS-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C	2332113528	FZEYHEKWRIBECF-UHFFFAOYSA-N	421.294	5.417	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CCC)cc1OCC	2332113886	UYMLYDHQYMLATD-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(OC)ccc1OC	2332114753	NKSJIBHUUZXJBF-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)c2ccccc21	2332128974	WXYACZVGGKRNDZ-UHFFFAOYSA-N	403.791	5.180	10	10	HKCE	
Cc1cc(C)nc(Sc2cc(Nc3ccccc3)ccc2N[C@H](C)CC(C)C)n1	5895130	GRUISRUYYIGZBW-QGZVFWFLSA-N	406.599	6.835	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S	6413162	TXOGHTJDKOGMFX-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20691930	WERMTTDDNCGGIC-RQTOMXEWSA-N	422.594	5.433	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=N)N12	49593194	ZKRAQJGEOPNGAD-HYRBKGOMSA-N	410.930	5.223	10	10	HKCE	
CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)SC2)cc1	72413649	VGWXFIJPQUCTFC-QFIPXVFZSA-N	414.534	5.322	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	226812598	XHKKCMFPTRFMBZ-DXBVXKBHSA-N	424.544	6.473	10	10	HKCE	
Nc1ccc(N(C(=O)Nc2ncc(Cl)cc2Br)c2ccccc2)cc1	244146045	USBNABVXVWZNGO-UHFFFAOYSA-N	417.694	5.450	10	10	HKCE	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NCC2CCCCC2)cc1	253977324	FIWOJDHHIMLTPK-UHFFFAOYSA-N	422.529	5.021	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526232948	XFYXJUHDCGHEAC-QFIPXVFZSA-N	404.535	5.434	10	10	HKCE	
CN(C)c1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2CCO)cc1	1857878094	HRZHWMOOOADJMS-UHFFFAOYSA-N	421.564	5.537	10	10	HKCE	
Cc1cc(=Nc2cc(C(C)C)ccc2O)[nH]c2c1c(C)nn2-c1ccc(Cl)cc1	1859863810	VFRBOTJMQBFJFJ-UHFFFAOYSA-N	406.917	5.685	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1860073552	QFCMFRCQDMJBSK-MHWRWJLKSA-N	404.900	5.216	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1	1860825149	PFCGRDLAAFFGAI-RIYZIHGNSA-N	424.330	5.093	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(Cl)cc1	1866245818	HWFYJUUZVQGUIN-DYVFJYSZSA-N	419.974	6.318	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2034823198	RPJUQKVPWSUKST-KRWDZBQOSA-N	401.392	5.926	10	10	HKCE	
C[C@H](N)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	2077053167	ZTWRHOFKTYZCNE-KKSFZXQISA-N	403.364	5.045	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Cl	2080022040	DSYUIAMOXNIRNX-HXUWFJFHSA-N	418.921	5.084	10	10	HKCE	
COc1cc(Cl)cc(CNc2ccc(Br)c(Br)c2)c1O	2185909373	IFYLRVRPQUIMGO-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1	2297310184	BQEQMGMYNDICTA-UHFFFAOYSA-N	424.551	5.549	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccccc3C)C2=O)cc1	2313501783	BXEUGNCRNSDZNT-UHFFFAOYSA-N	411.596	5.112	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1OCC	2313681303	AZAKSEXKTAFEAM-UHFFFAOYSA-N	420.538	5.584	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2314731935	JRSWXAYNVMAIDQ-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	2314927023	XPOBPDXBTZSRPD-UHFFFAOYSA-N	419.612	5.656	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1	2318756162	JGBYYALRORCQHZ-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1cc(Cl)ccc1Cl	2321647117	VRJNRECBCQGSOD-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332104154	NQDFERUWLYAVHC-UHFFFAOYSA-N	414.936	6.294	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463442	DZKILBOXYMCIQS-WRALFONMSA-N	402.538	5.109	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465019	ZASZXOAQPJTUQP-JQVVWYNYSA-N	416.974	5.197	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546130	KJMWDFQDCCOZJA-WOVHNISZSA-N	424.544	5.494	10	10	HKCE	
CC[C@H](Nc1ccc(F)cc1Br)c1cc(Br)ccc1O	20430461	IDGRXWKAQOWZJA-ZDUSSCGKSA-N	403.089	5.620	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	20698603	VLRSSTLOKYWSPF-LSCGWGKXSA-N	416.524	6.919	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1	54620427	JQMSSYOULNEKES-HSZRJFAPSA-N	413.477	5.102	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)cc1	58135992	CEIZJVZHYXWUKT-WIOPSUGQSA-N	420.940	5.839	10	10	HKCE	
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccc(F)cc1	59378587	PCVAIQRNKUGGKF-NVNXTCNLSA-N	413.326	5.403	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226854250	XMVQNDKFYYASCP-VVBPWWLESA-N	404.337	6.235	10	10	HKCE	
COc1cc(Cl)cc(CNc2ccc(Br)cc2Br)c1O	229050422	TWKKJABYCNEMNX-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385521109	TUMVWGQPKIVNTL-QGZVFWFLSA-N	401.392	5.752	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)c1	526494838	FLQYPKHKEZPWEH-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1	1865669694	RPWGXXZFVACZIL-JJIBRWJFSA-N	412.489	5.237	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1	1865670318	TWEYIFIKPYXKFC-CPNJWEJPSA-N	417.336	6.369	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O	2297297076	CJOVWWBJTBBBSU-UHFFFAOYSA-N	418.290	5.626	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1	2313609797	NLAVWLBEVJODPH-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1	2318756697	RGBXUWTZBLBNCV-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1ccc(CN(C)c2scc(Br)c2C)c(O)c1Br	2352623551	BMNGPGDEBVPSRV-UHFFFAOYSA-N	405.155	5.232	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458040	IBUTXXYOYQUXFO-MWSYKCOMSA-N	423.600	7.450	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550378	KYZRZPJRPOAGSJ-IMSXRSKXSA-N	402.538	5.538	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	19888005	ZRNHDBLFWGXEPB-JXALWOEJSA-N	422.355	7.399	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363228	ZWQPOXZWJIXIDQ-ISKFKSNPSA-N	408.904	5.970	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)ccc1OC(C)C	59396903	JKLDNSVGHXMYNQ-WQRHYEAKSA-N	419.955	5.542	10	10	HKCE	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nc(O)c2c(-c3ccco3)csc2n1	771796714	WVCPIFVQOAXJIL-UHFFFAOYSA-N	422.554	5.134	10	10	HKCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	1772755306	WVPBUNBHXDEGDH-CGAWNULPSA-N	423.559	5.139	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	1858589389	YZNSJXZEAGDYCR-VIZOYTHASA-N	424.330	5.124	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1cccc(Br)c1	1860074779	MNMJOFQQSILUCJ-MKMNVTDBSA-N	412.280	5.133	10	10	HKCE	
CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OCC)c1	1865666067	BDCYSGIFMXYJCC-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccnc(Cl)c2)sc(C)c1-c1ccc(C)cc1	1866000074	FZYLMBVAKWVMDV-UHFFFAOYSA-N	400.887	5.119	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1cc(Cl)c(CN)cc1F)Cc1ccccc1	1974827468	WQPLTGBPKWVTMK-UHFFFAOYSA-N	411.952	5.076	10	10	HKCE	
Cc1cc(NCc2cc(Cl)cc(Br)c2O)c(Br)nc1C	2181677665	IYMJAQHEOAOAJZ-UHFFFAOYSA-N	420.532	5.195	10	10	HKCE	
CCOc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)o2)c([N+](=O)[O-])c1	2297348194	RGRRMOSGCYLDJB-UHFFFAOYSA-N	417.421	5.060	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1	2321614893	WEKCRTQLUUFZHV-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099299	GJIXJACXSDEXAM-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCN1N=C(c2ccccc2)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)C1=O	2332118432	KMDLPGDFEUMKRH-UHFFFAOYSA-N	410.517	5.614	10	10	HKCE	
COc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1Cl	4885019	NGIKYIARWFUGNT-UHFFFAOYSA-N	414.332	6.615	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475089	HOCBMEPQQOSMRS-XFAFFCHDSA-N	416.524	6.919	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477294	IKMQJQRVVJSKCK-WJONJSRFSA-N	415.364	6.350	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2)c1ccccc1	14480377	AHXUKPQVCNLJMQ-DXBVXKBHSA-N	408.545	6.488	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549153	VGQJBVWXILRRLL-WZOHSFFVSA-N	408.457	6.433	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	14549552	MVIHFJPKVULNCX-LGVFNWMJSA-N	420.509	5.453	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14551965	VVCPNBKWZWUSGH-AWRGLXIESA-N	418.606	6.298	10	10	HKCE	
CN1C(=O)/C(=C\c2cc(/N=N\c3ccc(Cl)cc3Cl)ccc2O)SC1=S	59514447	YFMQTDQUERTIMW-OZYSRWEESA-N	424.334	5.945	10	10	HKCE	
CCc1ccccc1N/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1	205956938	WPBWGXAJBQBERK-HKOYGPOVSA-N	411.505	5.395	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226791018	YZOBISMXQHPJEX-SLSDLSHTSA-N	402.538	5.538	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1	249999398	BMDDTCIDAIGVJM-VOLVWJTLSA-N	416.348	6.378	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	526301458	FJCGBKYQWNIKAH-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
Cc1ccc(COc2ccc(/C=C3\C(=O)N(CC(C)C)N=C3c3ccccc3)cc2)cc1	1865668757	OEPXAGWWIRYVNU-ONUIUJJFSA-N	424.544	5.860	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2ccncc2)cc1	1865673777	WJMQWXKMMXKSQH-LDADJPATSA-N	424.287	5.232	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(OC)c2)cc1	1865678507	PTUQGJGEODOLQM-PXLXIMEGSA-N	418.880	5.192	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc(C)c1-c1ccccc1	1865952400	FWDIRRUHMAOEJV-UHFFFAOYSA-N	409.507	5.090	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc(C)c1-c1ccccc1	1866009257	QLXFYDKWFNICCB-UHFFFAOYSA-N	423.534	5.797	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2095952916	ZTRJINJHKLRWJH-GOSISDBHSA-N	417.435	6.390	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	2296824104	DDTJKVLMTXOZKU-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CCN1C(=CC=C2SC(=S)N(C)C2=O)C(C)(C)c2cc(-c3ccccc3)ccc21	2297322708	QSEGXRZPKRTTGO-UHFFFAOYSA-N	420.603	5.729	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	2318756506	NVPSTIDDJNJBQJ-UHFFFAOYSA-N	403.528	6.193	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1	2332120652	HYALHLHWCYOYSJ-UHFFFAOYSA-N	420.553	5.620	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	2332122416	UUHMXRCRFFFKBY-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
Cc1ccc(CNCc2cccc(Br)c2Cl)c(O)c1Br	2381138766	QKBJRVKVWQHRJO-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455947	UCOHZWOHHWWSEC-PMSBSAKUSA-N	414.574	6.374	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462190	WTDKQOWJOZIHJY-OPQSODGTSA-N	417.597	5.888	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549165	JYWMOCDGJLOWRZ-ISJBWFOZSA-N	408.457	6.433	10	10	HKCE	
Fc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	14549863	PHKMQUFBEZTYTM-PLXFJCCSSA-N	401.481	6.110	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550370	CAJJNNJSUNCPRK-FXSPECFOSA-N	424.544	5.794	10	10	HKCE	
Cc1ccc(-c2cc3c(n2-c2ccc(C(=O)NCc4ccco4)cc2)CCCCC3)cc1	33114843	BRSIFSGILKCNOW-UHFFFAOYSA-N	424.544	6.245	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc2ccccc12	101673431	AUVCGMURVNNDIY-XQNSMLJCSA-N	413.473	5.116	10	10	HKCE	
COc1cccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1OC	105348678	AHNXZZIMRWKWCZ-DEOSSOPVSA-N	413.473	5.082	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2)N1CCCCCC1	226719717	RTHGAVSKAPUXQI-ZFGGDYGUSA-N	406.957	6.183	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226882184	HHSIAMOENSXZMH-VUMVONDWSA-N	421.566	5.025	10	10	HKCE	
CCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc1	1859039672	NCDYPCQENANDLY-UHFFFAOYSA-N	417.509	5.046	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2c1	1860083856	AFPKBSGLPVMZHE-KEBDBYFISA-N	408.548	5.706	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	1865664413	OTDIWPXBZZIKLB-UNOMPAQXSA-N	414.814	5.837	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccccc2N)sc(C)c1-c1ccc(Cl)cc1	1866086722	QOHWDUAKTHVXRY-UHFFFAOYSA-N	414.914	5.388	10	10	HKCE	
COc1ccc(-c2ncccc2C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1	1866164609	DOYUSBOFRQQFDT-UHFFFAOYSA-N	411.461	5.384	10	10	HKCE	
CCc1ccc(NCc2cc(Br)cc(F)c2O)c(Br)c1	2151679805	RGGNXGJMENUOJS-UHFFFAOYSA-N	403.089	5.231	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)cc1Br	2186640025	ZWDBQNBXWYWAJX-NXEZZACHSA-N	419.182	5.524	10	10	HKCE	
CCCN[C@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1	2236166460	XWVPMIGNGCZHOK-XMMPIXPASA-N	411.590	5.280	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1	2296887136	QQRLPINOIZKSRR-KNQAVFIVSA-N	407.424	5.398	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	2297461873	HEUPGCKPJWMTAY-UHFFFAOYSA-N	416.930	5.436	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OC)cc1OC	2332140439	GEHIYEYBZZONMO-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1/N=N/c1cc(C(C)(C)C)cc(Br)c1O	5839038	CNSBNUSRXRDAGB-FMQUCBEESA-N	408.252	5.784	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@H]3C)cc1)CCCC2	6877903	HLHRCNUSDQNJBQ-BGYRXZFFSA-N	407.602	5.047	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13643548	VNIPOXQTKAPXPQ-HWBMXIPRSA-N	409.533	5.831	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543699	YUIILSZECHYCFA-JCYRPKCISA-N	416.565	5.784	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14552203	SCQKGACTSLXDLD-NLJOTIRTSA-N	419.634	7.584	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@H]32)cc1	20795642	XHKKCMFPTRFMBZ-OASJLCFRSA-N	424.544	6.473	10	10	HKCE	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	59397614	IQDPALZGZNORLM-QNGOZBTKSA-N	418.543	5.845	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	226829740	JDRCHNJBWHHIKB-JLHGSKIFSA-N	413.348	6.056	10	10	HKCE	
C[C@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2	242645569	CQIRXRHSOMGFPQ-SFHVURJKSA-N	401.579	5.921	10	10	HKCE	
COc1ccccc1N=N[C@H]1C(=O)N(c2nc(-c3ccc(C)cc3)cs2)N=C1C	575733415	SOQNTXCFJUAJLL-LJQANCHMSA-N	405.483	5.002	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(Cl)c1	1084609328	IKZMEXFUPRTOOY-RIYZIHGNSA-N	400.739	6.053	10	10	HKCE	
Cc1nn(C(=O)c2cccc(Cl)c2)c(C)c1N=Nc1cccc(Cl)c1Cl	1088693602	MTADPDKOQRDHCZ-UHFFFAOYSA-N	407.688	6.564	10	10	HKCE	
CC[C@@H](C)N(C(=O)/C=C/c1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910523	KAQHVPWGIFZNIT-BMINWGARSA-N	423.512	5.615	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1cc(Cl)ccc1Cl	1860085159	RIMCZQZDZARLGA-MKMNVTDBSA-N	416.738	5.758	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1C(F)(F)F	1860086535	OQBBCDOGSQJLIC-CXUHLZMHSA-N	404.438	5.593	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OCC	1865666361	HRXIHTQXRGQZBT-PXLXIMEGSA-N	424.516	5.595	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2ccccc2F)N=C1c1ccccc1	1865676200	WOAUAFCDPMTRNO-JWGURIENSA-N	414.480	5.443	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2coc3ccccc23)sc(C)c1-c1ccc(C)cc1	1866199077	AIBGXMHEEWLICB-UHFFFAOYSA-N	419.502	5.746	10	10	HKCE	
Cc1ccc(C(C)(C)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1868168211	PBZBZEUDQYLNQW-UHFFFAOYSA-N	411.501	5.467	10	10	HKCE	
CCCCc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1	1872741669	VOSPMCRIXVUNSF-UHFFFAOYSA-N	412.537	5.891	10	10	HKCE	
O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891190692	BUQRHKNPGHQZCU-WMZOPIPTSA-N	403.353	5.231	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@@H](O)c1ccc(N2CCCCC2)cc1)Cc1ccccc1	1999523711	QACOZNFOGRSYNU-XMMPIXPASA-N	424.585	5.538	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC1	2133496110	MELVGQITYLNCPQ-HUUCEWRRSA-N	403.350	5.015	10	10	HKCE	
CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1	2296887289	HKJGCWZUJLPCAB-XTEPFMGCSA-N	407.561	6.554	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2297512930	VJFDCJKIRGXKLY-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1	2313610177	TZDKJJOEPGDPCF-UHFFFAOYSA-N	403.956	5.925	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321591400	LRSLMQREIDXFCS-UHFFFAOYSA-N	421.509	6.454	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1Cl	2321646762	JCFXBMMJZHYRFU-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)CC2CCCCC2)c(O)c1Br	2327796544	JBHVPLOXDAPBGT-UHFFFAOYSA-N	402.376	6.046	10	10	HKCE	
C[C@@H]1CCCN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737887	AJIKZRYIVJAIFY-MRXNPFEDSA-N	401.510	5.266	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	6952972	SOELNBRTBGOSRU-DEYYWGMASA-N	401.260	5.192	10	10	HKCE	
COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	8588401	AULCCKWGFUXGCP-UHFFFAOYSA-N	402.538	5.180	10	10	HKCE	aggregator
CCCNC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473125	GISCFPOAEIHZGZ-IVZHQMGZSA-N	411.889	5.215	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477853	WNHQSMTWYGVZGH-CKJXQJPGSA-N	415.364	6.348	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2	14480057	QPSZXAKZBUHQEO-SLSDLSHTSA-N	424.610	5.632	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14546190	QAFAEUFKMAOPRX-DFIYOIEZSA-N	416.565	5.926	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C)s2)N3)c1	14553535	FTJCSMICUWWJOT-JXALWOEJSA-N	400.547	6.444	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20716456	HDIIWKDTQPEOSH-PLXFJCCSSA-N	408.545	5.794	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362849	KQQKEJJUJBXMPM-JTHBVZDNSA-N	411.332	6.230	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1	54620202	WXYNCSSHDUSPDU-DEOSSOPVSA-N	418.562	6.691	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)S2)cc1	59168421	OCUFYFJXBHMZIX-NRFANRHFSA-N	407.587	5.437	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226666529	HJCSCNGVPBNESZ-JEYPMZLKSA-N	414.593	6.310	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1O	226704700	DANDAOMCKVKZLX-YZIHRLCOSA-N	419.565	6.577	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	250585211	GOJSFPQXBUAQOR-TZBSWOFLSA-N	416.546	5.338	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	526306580	ASUVJLSLIUMBIJ-FQEVSTJZSA-N	410.926	5.525	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858588728	WUEDWMLHHBRXMF-DORZRAPPSA-N	411.514	5.731	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590881	MVRJDPOTXXTFBE-CAOOACKPSA-N	423.525	5.875	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1860085231	XJYLXULEKDNXNE-GZTJUZNOSA-N	422.402	6.697	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C=O)c2Br)C2(C)CC2)cc1C	2079971568	IOYQPGIXMFCLHG-GOSISDBHSA-N	405.336	5.293	10	10	HKCE	
O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(Cl)c1	2297342125	CVDXMWBHGLWKGF-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	2297366834	LUYKSNXKZHLLKN-UHFFFAOYSA-N	422.394	5.577	10	10	HKCE	
CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313682820	LKXQNULGLHINDV-UHFFFAOYSA-N	422.315	6.130	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1	2332133275	UUGYWCUBKLXARP-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1	2357145	ISXXTAVNKPSXCC-XSFVSMFZSA-N	407.491	6.024	10	10	HKCE	
CC1CCN(S(=O)(=O)c2ccc(/N=N/c3ccc(O)c4ccccc34)cc2)CC1	12583194	QQJOOUKAKWCWDK-WCWDXBQESA-N	409.511	5.381	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464301	LHWVDCKLQWMYCU-MIUCGUHXSA-N	403.525	7.245	10	10	HKCE	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468601	NRZNAJUXFFXALJ-MNVSYLFESA-N	404.293	5.754	10	10	HKCE	
CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O	20032726	XKFDZMHDSCRSGZ-QFIPXVFZSA-N	421.497	5.368	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	20706118	GISCFPOAEIHZGZ-HTZUNMPGSA-N	411.889	5.215	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@H]1CC=C[C@@H]21)c1ccccc1	20714827	XTWPCEXGCXDFJV-MVERNJQCSA-N	408.545	6.488	10	10	HKCE	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1	33286598	SOXKWWCSRSMAHI-MOSHPQCFSA-N	405.500	5.555	10	10	HKCE	
COc1ccc(OC)c(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	104788115	DFVRAESBWPXORY-VWLOTQADSA-N	413.473	5.082	10	10	HKCE	
COc1ccc(OC)c(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	104788120	DFVRAESBWPXORY-RUZDIDTESA-N	413.473	5.082	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226707511	HANFXXQTCRAHEL-UMFSSWHCSA-N	414.593	6.699	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2cc(NCc3c(O)cccc3Br)ccc21	706808493	SFKLCYBSLOYHEK-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1	1084359523	PIGDSVGFADCIHR-QGZVFWFLSA-N	415.559	5.742	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c1	1865670132	KDJHBXDPEXJYDR-RGEXLXHISA-N	410.395	5.587	10	10	HKCE	
CCCC[C@H](CC)CC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC	1866107086	UPDUDDQCWOQVEK-KRWDZBQOSA-N	401.572	6.364	10	10	HKCE	
COc1ccc(OCCn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)cc1	2297319041	YHRVRIZEPBTUAF-UHFFFAOYSA-N	410.473	5.222	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cc(Cl)cc(Cl)c1	2313609460	IYYSWUMEFUALFE-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	2321576632	ZWCSAPJHBRAHHD-UHFFFAOYSA-N	407.919	5.672	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1cc(Cl)ccc1Cl	2321646981	BLYWDSOUHXOEAS-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118386	GGCPFFKLOHJRAG-UHFFFAOYSA-N	424.544	5.993	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332129890	YPWPJSAXKXOZGU-UHFFFAOYSA-N	416.352	5.641	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F	2332133287	WIBIZNSIWZBOOB-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CN(C)c1ccc([C@@H](Cc2ccccc2-c2ccccc2)n2nnc3ccccc32)cc1	5393735	XKAOFTRNYITPHS-MUUNZHRXSA-N	418.544	5.996	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461152	UAYFAKNCLMIFRJ-MRUHUIDDSA-N	414.343	6.016	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479685	HZNVBPNZSZPYHK-JXQFQVJHSA-N	406.526	5.012	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2)c1ccccc1	14548995	YBBVWSWBIPMBOB-YOSAUDMPSA-N	400.547	6.241	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	14549729	HTGLVLWKSDMPQZ-WRALFONMSA-N	412.508	5.625	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c[nH]c4ccccc24)N3)c1	14553662	LIFUDCJVGYBSOP-ZVUIFXONSA-N	419.528	6.555	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703492	MPPHOJPSOHIDEB-JQYIIUTOSA-N	424.544	5.794	10	10	HKCE	
CC(C)Oc1ccc(N/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	40869581	CZDKYBBLHRKIIF-BOPFTXTBSA-N	404.944	5.445	10	10	HKCE	
O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccc(Br)cc1	40928663	KWZUUEKTMRIWOV-ZROIWOOFSA-N	410.745	5.508	10	10	HKCE	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cc(Cl)cc(Cl)c1	59396740	WHKJDPLRGGUZRT-RZNTYIFUSA-N	411.291	5.307	10	10	HKCE	
Cc1ccc(C)c(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1	59425576	XVZZIJMKCMKWDB-STZFKDTASA-N	416.904	6.517	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226695552	DEGMBMUBIWSBQD-SXGZJXTBSA-N	403.309	5.508	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226706078	SKHSBYGHYAVSTG-DBXWQHBBSA-N	416.974	5.243	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226830931	QJOQQLQXAFOCTC-JLHGSKIFSA-N	414.889	5.490	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226833264	UZGRYMUEYBONPF-SWYRRKHMSA-N	411.501	5.879	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226871689	YRWKWYSITGCRTG-UMTXDNHDSA-N	424.544	6.188	10	10	HKCE	
CC[C@H](Nc1ccc(Br)c(Cl)c1)c1cc(Br)ccc1O	232191062	RRHQKGMXRMJHLK-AWEZNQCLSA-N	419.544	6.134	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	303398638	HKDLAEJQEVZHRK-UHFFFAOYSA-N	412.499	6.410	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1C	526252837	XDCUJAMHMWXXJD-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	1865665774	KVFBEEWYDIPKIR-ZSOIEALJSA-N	413.226	5.646	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865676080	PALKTGMTBZYAHW-PXLXIMEGSA-N	416.864	5.365	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	1865679304	GJYRISMKDCCYMI-AQTBWJFISA-N	423.299	5.837	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(OC)c(F)c2)sc(C)c1-c1ccc(C)cc1	1865958578	QWVQVUYKMGQNGY-UHFFFAOYSA-N	413.470	5.219	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCc4cccs4)ccc3[nH]2)cc1	1872735930	NRXOXFRGQDYUBW-UHFFFAOYSA-N	418.566	5.110	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)c(Br)c1	1915189860	TYGWUJMTXBPRQX-HTAPYJJXSA-N	419.407	5.287	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2Br)cc1C	2079954028	GPGIVSYOYRTKBK-QGZVFWFLSA-N	409.324	5.035	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080025576	QJANDOHBYLQHOQ-GOSISDBHSA-N	404.938	5.333	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2294956849	PRDTZVVKUTZAPD-UHFFFAOYSA-N	407.473	5.007	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2297321453	ZNBVGXURRJASJK-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CCCCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1	2314754298	OWUQILIJNISHBY-UHFFFAOYSA-N	421.584	5.102	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	2321748959	LEHAQHPLYMTKJC-UHFFFAOYSA-N	411.495	5.833	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccccc3Cl)C2=O)c1	2332104756	NYYKSSAXKJJBDO-UHFFFAOYSA-N	400.909	5.787	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(Cl)c(Cl)c2)cc1	2332104782	RESRWLQOKORCDM-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461138	IFLKRTXWBGMSOM-VWKPWSFCSA-N	400.316	5.768	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477223	QMFONGLCDORXKD-GXZWQRSESA-N	404.337	6.235	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543519	MREHLOVIHPELOE-VBOOUTDYSA-N	411.545	6.533	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1O	36347385	KNRRLBQVRWZMEO-OAQYLSRUSA-N	416.443	5.216	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(Cl)cc2)sc2c1CCCC2	96512631	PHFUXBPCMFMORF-UHFFFAOYSA-N	419.930	5.059	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226633227	KSYBJFKDSTXEML-DXBVXKBHSA-N	411.545	6.533	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226894927	JNSAZSCBQBWQFO-SWYRRKHMSA-N	412.533	5.902	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1	253563203	FDPYUXQTYZNELD-RQTOMXEWSA-N	400.566	6.226	10	10	HKCE	
CC[C@@H](Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cc(Br)ccc1O	311310742	UXFKTTLQJKQTSE-QGZVFWFLSA-N	421.335	6.065	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526399676	RFDULICKCGLKQB-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664479	FGVZFCCHXPKHPQ-QGOAFFKASA-N	409.316	6.733	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OCC	1865666728	UZEPFSGHHOVXAM-KGENOOAVSA-N	406.526	5.293	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O	1865674496	IPRROMAZFZHFOS-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
C[C@H](O)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946807817	CAOJXVWREHVMFM-ZDUSSCGKSA-N	402.254	5.461	10	10	HKCE	
C[C@@H](NCc1scc(Br)c1Br)c1ccc(N(C)C)cc1	2150565673	VDEMUTZIYXTGLB-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CC[C@H](C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(Br)c1	2231469476	JFXYCBPZZVCMDE-PXNSSMCTSA-N	417.391	5.133	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	2294623724	YNHNMHUESAPDDS-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CN1C(=C2SC(=S)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21	2295165158	SPOGOSMNNVLAQE-UHFFFAOYSA-N	404.969	5.112	10	10	HKCE	
Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1	2297310378	KTDLRBRNXKPBRM-UHFFFAOYSA-N	424.551	5.404	10	10	HKCE	
N=C1C(=Cc2ccc(Cl)cc2Cl)C(=O)N=C2SC(C3CCCCC3)=NN12	2297342025	CBZGQDPJHRJIEU-UHFFFAOYSA-N	407.326	5.193	10	10	HKCE	
O=C1C(=Cc2ccccc2O)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2297578422	RCYNUENOMHONQH-UHFFFAOYSA-N	405.500	5.590	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	2332099452	WYBDHZQMTGIBKX-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1	4818957	RFEXQEHPRFZKIS-YZUZCNPQSA-N	417.509	5.438	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475312	DJIXIIFMOUAVMJ-FBLLAGFSSA-N	418.562	5.355	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546896	LYAIKTDYFCIDJQ-OSWQYVSFSA-N	422.355	7.399	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764054	ASYANBUBEYKZPT-OFNKIYASSA-N	410.876	5.416	10	10	HKCE	
Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O2)cc1	33409717	CODHHZDGGRWYSM-MHWRWJLKSA-N	407.809	5.798	10	10	HKCE	
CCCN1C(=O)/C(=C/C=C2\Sc3c(ccc4ccccc34)N2CC)SC1=S	33926881	JTFHAWPSZIGVMA-WHYMJUELSA-N	412.605	5.767	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc3ccccc3c2)nc1-c1cccc(Cl)c1	40944821	FONXVWAIZGHCLP-UHFFFAOYSA-N	414.939	5.726	10	10	HKCE	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(C(C)(C)C)cc1	206937799	VQRXBECRZBDUFT-UNOMPAQXSA-N	413.564	5.061	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226790495	ARDMILDOTRNXGM-DXBVXKBHSA-N	413.586	6.857	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc4ccccc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526340322	GJHHDNQCLYPCFB-RUZDIDTESA-N	423.468	5.617	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858590854	LWMMVZXMSQMQLY-DWKHYPNZSA-N	402.412	6.554	10	10	HKCE	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(F)(F)F)=NN1c1ccccn1	1865668450	YMFFZOVUBFRTRP-RGEXLXHISA-N	423.394	5.009	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2223536371	ZWXOOBIILLMCTA-QGZVFWFLSA-N	403.408	6.142	10	10	HKCE	
Cn1cc(C=C2C(=O)N(CN3CCCCC3)c3cc(Cl)ccc32)c2ccccc21	2296589872	QNDMJMANPMHJNZ-UHFFFAOYSA-N	405.929	5.162	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1C1CCCCC1	2297303103	NDULLRIWYZJHML-UHFFFAOYSA-N	400.338	5.122	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	2297559864	PTYJONLCADJLNV-UHFFFAOYSA-N	412.363	6.111	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1	2314764498	DUUJYZANVGOCSF-UHFFFAOYSA-N	416.955	5.010	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1CCc1ccc(O)cc1	2323675370	GVUAMVKCTIETPK-UHFFFAOYSA-N	410.347	5.143	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	2323680476	FXOWISFNZHENJL-NXNVCVFFSA-N	417.596	5.120	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1CCc1ccccc1	2323733484	SPZPJAZOVMVWMJ-UHFFFAOYSA-N	422.344	5.032	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14465918	HHSLGDWITQJAJF-BSRJHKFKSA-N	400.909	6.419	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471404	AFYMRZQLYGGOLE-QYWGDWMGSA-N	411.889	5.215	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@H](c3ccc4ccccc4c3)[C@H]2C1	14475487	VVDNEIQFNVCPRP-FEVNIDIWSA-N	423.600	8.016	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475489	WWYBUOMMUQEKFU-WRALFONMSA-N	412.533	5.433	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1	14477443	XEJGGXPYRBOOQC-KHCICDEESA-N	407.344	7.564	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544829	OLMWBKNZHDHCIY-OFUUFJSKSA-N	411.549	6.057	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	20695609	AULNOFZTNSPIKG-DZCCDHAISA-N	408.929	5.075	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1Cl	20711859	RKWOZBBYYWGFQF-QZTZHPFYSA-N	422.355	7.399	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1	54620205	WXYNCSSHDUSPDU-XMMPIXPASA-N	418.562	6.691	10	10	HKCE	
Cc1cc(/C=C/C(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1-c1ccccc1	98077277	MVKZLCJOPQMXOR-ZHACJKMWSA-N	422.532	5.126	10	10	HKCE	
CCOc1ccc([C@H]2Sc3ccccc3NC3=C2C(=S)c2ccccc23)cc1	104639072	HBPFJMQWBKBLGE-XMMPIXPASA-N	401.556	6.487	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2ccc(C)c(C)c2)cc1	205966040	ZXIHWQLJSFSVEE-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1O	226656008	LHEPLQWUIOJSOG-RNHFSVANSA-N	412.489	5.480	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226665476	MBTFNLYYTKMPNR-UMFSSWHCSA-N	423.560	5.509	10	10	HKCE	
COc1cccc2c1O[C@@H](c1ccc(N(C)C)cc1)N1N=C(c3cccs3)C[C@H]21	245242000	VZCWOIYBUAIUCD-XXBNENTESA-N	405.523	5.065	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1Cl	1860084701	CQVMOHAXIBDRID-LZYBPNLTSA-N	424.330	5.170	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)ccc1F	1860085796	JSQFGGRYCKIFPB-KGENOOAVSA-N	420.534	5.526	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656349	FTDFXCZIBGMKTE-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865658783	RSLWUZTVKAFFJZ-PDGQHHTCSA-N	409.272	5.534	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665264	KKDBMODDQRTEMV-SAPNQHFASA-N	412.917	5.724	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	1865668720	MDRQRFLCJSCUJO-ULJHMMPZSA-N	414.480	5.445	10	10	HKCE	
CCCC1=NN(CC)C(=O)/C1=C/c1ccc(OCc2ccccc2C)c(OCC)c1	1865677168	ZHXRUUHWHGCOHZ-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)c1	1865900807	ZFLWNTXJICNSLU-UHFFFAOYSA-N	423.516	5.515	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2034823243	SCEIIQIIOZOMSM-UHFFFAOYSA-N	401.392	5.611	10	10	HKCE	
CC[C@H](N[C@H]1CC(C)(C)[C@H]1OCc1ccccc1)c1cc(Br)ccc1O	2100144655	CDBHKPMBXBLYBN-ZJOUEHCJSA-N	418.375	5.579	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2c(N)cccc2Br)CC1	2106229185	RTDVPKOPBFDUOC-INIZCTEOSA-N	424.383	5.013	10	10	HKCE	
CC[C@H](NCc1sc(Br)cc1C)c1cc(Br)ccc1O	2157008261	OPNSKPNEWJPDFM-LBPRGKRZSA-N	419.182	5.528	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CC1	2295248083	PIYULRIGRONPME-CQSZACIVSA-N	417.377	5.216	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C)c(Cl)c1	2297455974	BNSQTLABNUXPBW-UHFFFAOYSA-N	404.695	5.129	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1	2321579684	LXUVIIKXMBGBGC-UHFFFAOYSA-N	410.608	6.062	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	2321646866	QEXZHUDYPBBIAJ-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CC[C@@H](C)C2	6877931	QXLFSYQCDIVEGT-QGZVFWFLSA-N	406.957	5.536	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O	14460134	BTTJUSQJPKLQPJ-GLDPYIMESA-N	412.489	5.480	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468158	DEWXQNSZZGERNA-MDOVXXIYSA-N	404.293	5.754	10	10	HKCE	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1	33448511	ATHKJVNSFTWRLX-FYJGNVAPSA-N	421.543	5.568	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3ccc(C)cc3C)C2=O)cc1	205954965	ZEPLAYJYZYYYNP-LYBHJNIJSA-N	411.505	5.449	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2)c1ccccc1	226860907	AHXUKPQVCNLJMQ-FKCDAAJZSA-N	408.545	6.488	10	10	HKCE	
Cc1cc(Br)cc(C)c1NCc1cc(Cl)cc(Br)c1O	708110323	BEJSERQISXCUJC-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1	1084017477	PHISQDCLSGTOQL-QGOAFFKASA-N	414.508	5.180	10	10	HKCE	
CC(C)=C1SC(=S)N(c2c(Br)cc(C)cc2Br)C1=O	1616048986	ULNVYSQKSZRRPT-UHFFFAOYSA-N	421.179	5.179	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCCCC1	1858586785	UEDNDHXUJGTFPX-LFIBNONCSA-N	410.948	5.562	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865670246	QDYIWIROWYZMQF-JWGURIENSA-N	402.881	5.573	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2034821734	IDFWEGVDXSIDQK-IAGOWNOFSA-N	403.408	6.171	10	10	HKCE	
CC(C)c1nn(Cc2c(O)cccc2Cl)c(I)c1C(C)C	2079730449	NRBUXPXSDCBMBE-UHFFFAOYSA-N	418.706	5.142	10	10	HKCE	
O=C1C(=CC=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1	2296453246	APTHSSTWQJXYEY-UHFFFAOYSA-N	402.884	5.210	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2oc3cc(O)ccc3c2Cl)SC1=S	2296731178	BGJQGOFADUKWBU-NSHDSACASA-N	415.923	5.754	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113492	ARJLVWAYZPRYKB-UHFFFAOYSA-N	418.924	6.084	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113550	IGDVSHSWICHCMP-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CCC)cc1	2332116627	JBLNDBUFVOGDRA-UHFFFAOYSA-N	408.517	5.977	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2ccco2)cc1	2332127787	IKZCQPDDNJLSJO-UHFFFAOYSA-N	413.260	5.430	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133414	KWTLTJAJIGCMRF-UHFFFAOYSA-N	410.517	5.684	10	10	HKCE	
CC(C)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	2735539	XHRTUYJIGISFHW-DHDCSXOGSA-N	408.342	5.319	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639210	WQPJXDLVIKOYNY-DXIQSLLYSA-N	414.343	5.691	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@H]21	13645941	TXNOXAVCJLNGLM-UEXGIBASSA-N	414.596	5.058	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468011	VIBGYTFVPQKPQV-ARGWCVDVSA-N	403.309	5.874	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468912	JNTWHSQOKSGOEI-RNHFSVANSA-N	407.510	5.482	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543513	MREHLOVIHPELOE-BXTSTYNKSA-N	411.545	6.533	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698099	GHLKUJPNEOUJII-RQTOMXEWSA-N	415.581	5.024	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	20700921	NJUKCGDGRJZKFF-PMECCGAFSA-N	408.929	5.075	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\C2=Cc3cccc(OC)c3O[C@H]2C)SC1=S	33514424	KFCZUUNJOIWNEF-RAOBZKRQSA-N	403.569	5.184	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(OC(C)C)cc3)c3ccc(F)cc3)c(O)c2n1	54621511	DXWRHLYFIOPQJV-XMMPIXPASA-N	416.496	6.377	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	83306744	BSOBBCJUCYLPHN-KQWNVCNZSA-N	407.900	6.965	10	10	HKCE	
Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])S1	96905117	UECLOUKIOONEOS-HUYQPEPHSA-N	423.494	5.371	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1	697298959	XJVLSPPOADMQCM-UHFFFAOYSA-N	417.720	6.312	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860074919	AKVRKKJHSVCEEE-VGOFMYFVSA-N	418.729	6.192	10	10	HKCE	
CCCCCOc1c(Br)cc(/C=C2/C(=O)N(C)N=C2CCC)cc1OC	1865667911	WESMXXHTJYAZPN-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1OC	1865669583	QTALMSSWGZPUOK-JWGURIENSA-N	412.489	5.237	10	10	HKCE	
COC(=O)c1c(NC(=O)[C@@H](C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1865991621	PFNRRCNUKOVQEW-INIZCTEOSA-N	407.535	5.869	10	10	HKCE	
Cc1cc2oc(=O)c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(C)c2cc1C	1866296243	IFJWMBAAEHLSBM-UHFFFAOYSA-N	412.489	5.144	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CO)cc1Br	1914864837	XZKFQSHSZHQUQM-HNNXBMFYSA-N	402.357	5.771	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2Br)C(C)(C)C)c(O)c1	2079035140	YWVVZKCBQDPUIU-KRWDZBQOSA-N	409.368	5.085	10	10	HKCE	
C[C@H](c1cc(Br)cs1)N(C)c1cc(Br)c(CN)cc1F	2186577179	FARXQWRJSOFFSA-MRVPVSSYSA-N	422.161	5.068	10	10	HKCE	
CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S	2296700227	OANWZDJCSXPKLO-UHFFFAOYSA-N	411.548	5.216	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332094897	SOPUUSLRZYWYFR-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)ccc1OC	2332114867	ZZRFGWIWLWOBQX-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC	2332124385	XPJJIOMIUUPVPJ-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)c(O)c1)c1cc(Br)ccc1O	2370432340	UOWFFOOHRDRBKR-CYBMUJFWSA-N	401.098	5.186	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642840	KKKSFOMOQUNHGM-LUICLMBMSA-N	422.572	7.430	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644027	HZDSOQFURXNGGL-WRALFONMSA-N	415.581	5.642	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471614	PPLNAXGDAAQHDP-MIZPHKNDSA-N	411.461	5.674	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477120	KFQAFUUSZXDYPX-PJSUUKDQSA-N	401.337	5.958	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478347	CYPYGJSDUIIDKA-ZMOMAAQPSA-N	411.889	5.813	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544313	GVVVYBGUVWTBBV-NYUJMHJJSA-N	412.533	5.815	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14546329	YHEIMPLLSGFHEM-OREGWCPLSA-N	403.566	6.871	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(CCCCCCCCCC(=O)O)C1=O	210499606	PHEZFFSMTWPTAX-OBGWFSINSA-N	421.584	5.102	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1	217068728	UDGIMXXFDFLYIP-IAPPQJPRSA-N	424.592	5.236	10	10	HKCE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	248079047	UUROGQFMMUTBLH-SFTDATJTSA-N	416.487	5.458	10	10	HKCE	
O=[N+]([O-])c1ccc(N=Nc2sc(N3CCCCC3)nc2N2CCCCC2)cc1	254764192	SPPQAUWFLMQMDK-UHFFFAOYSA-N	400.508	5.447	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2F)cc1	526198812	IVHJYOYREDCKIL-QFIPXVFZSA-N	422.525	5.791	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2)cc1	526295588	WSQFVMQMSNEJAT-QFIPXVFZSA-N	404.535	5.652	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1ccc(I)cc1F	700112588	BCFJGTGROJGTEW-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2ccccc2C(F)(F)F)C1=O	1083994720	RQQQSGALTAQLGL-PKVLTRFUSA-N	400.491	5.176	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1	1865654306	PNEKYEGHZXHWLQ-SFQUDFHCSA-N	402.325	5.646	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C	1865667428	WHWVDIPDSXEHIU-SFQUDFHCSA-N	411.288	5.961	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OC	1865669208	HKSMBWRLEKNRCD-JWGURIENSA-N	420.553	5.550	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1-c1ccc(C)cc1	1866087784	DSSSBDXVHZLYBJ-UHFFFAOYSA-N	419.546	5.950	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321672268	YJVBXUTZOHVZMZ-UHFFFAOYSA-N	417.983	6.052	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	2323680495	HAZDWCIZBXFCLR-NXNVCVFFSA-N	417.596	5.120	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332129580	QUNMJRJUUKRIAS-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14456237	UNAMWONNGGPHSI-MZKRTTBSSA-N	400.547	6.160	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463475	IYBANCMXTKUADX-CLCZQPDDSA-N	414.593	6.653	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1	14552352	WGJKBYZGIBZPPK-ZEVJAHDQSA-N	410.517	6.082	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@@H]32)CC1	20708291	IOVNCCXTKRFCIV-FKCDAAJZSA-N	422.572	6.538	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)c1	33379006	VTSRVEFOMDGZOE-JCMHNJIXSA-N	412.445	5.602	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364498	JVHHTTBVXCQRQA-ISKFKSNPSA-N	408.904	5.970	10	10	HKCE	
O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(/C=C/c2ccccc2)cc1	59352886	KDJJCAVPNWZADQ-VOTSOKGWSA-N	419.937	6.118	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C/C=C(c2ccccc2)c2ccccc2)cc1	72266030	LWZXJLFZHSOMTK-NTCAYCPXSA-N	415.580	7.858	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	102789093	SJEFUDIBSPMDCG-LFIBNONCSA-N	402.277	5.261	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226696872	PBCYKHXHPLJMEJ-SXGZJXTBSA-N	417.336	5.665	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226878064	HZNVBPNZSZPYHK-YDIMBITNSA-N	406.526	5.012	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1	526543148	UUOKMCXYMQAJJX-JOCHJYFZSA-N	424.422	5.227	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O	1859910699	MBFOESFFBYVBHW-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084492	OTWHFLVELAFTGT-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668471	ZHWQVLOKDMOFRL-HZHRSRAPSA-N	400.453	5.206	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	1865678703	ZWDHLHXCCZSZEU-JCMHNJIXSA-N	402.881	5.179	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	1865679890	LLPNMJNJDITEJU-MHWRWJLKSA-N	418.280	5.484	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)c(Br)c1	1915189867	TYGWUJMTXBPRQX-VGSWGCGISA-N	419.407	5.287	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(C(F)F)c1Br	2079714206	CYWSSGMZYNWVKX-UHFFFAOYSA-N	411.168	5.233	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231481031	QCNFZPPMEIOESO-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2293722838	KCROZWIHMZKPHI-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C=C2c2ccccc2)c1	2297297054	UEJZNXCLUWIGAF-UHFFFAOYSA-N	401.849	5.510	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cc(C)cc(C)c2)cc1	2313683535	BCQHIRTXKBHALN-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321601610	VJEFFOVTNBVGKQ-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14478484	PORDYLCTJDDNJN-SGIRGMQISA-N	416.546	5.622	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@H]21	14546454	BBNBOEHUGQUFTJ-IPVFLDMMSA-N	410.517	5.798	10	10	HKCE	
CCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2c1	39883510	YDBHFMOQCQZSMA-UHFFFAOYSA-N	416.521	5.426	10	10	HKCE	
Nc1ccc(N(C(=O)NCCc2ccccc2Br)c2ccccc2)cc1	217386577	CNTVWSOYQIDSIE-UHFFFAOYSA-N	410.315	5.122	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1[C@H](O)CC(C)(C)C2	256018775	KDMYZKQECBWMCT-LJQANCHMSA-N	403.482	6.262	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526223401	AJFMJCDYNHKOBG-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858588727	WUEDWMLHHBRXMF-CBCRCEPXSA-N	411.514	5.731	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1cc(Cl)ccc1Cl	1860085048	IMNSNJOMCFUEPK-MKMNVTDBSA-N	402.274	5.677	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c(OC)c1	1865678977	NYNNNQSSHXCYRB-BKUYFWCQSA-N	418.880	5.192	10	10	HKCE	
CC[C@H](C)c1ccccc1N1C(=O)C(O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1872957622	AINXMJSCNIJKKY-INIZCTEOSA-N	414.505	5.450	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	1946823099	WABGHDUVSXNOFJ-DEOSSOPVSA-N	415.625	5.886	10	10	HKCE	
CSCCCN1C(=O)C(=Cc2ccccc2OCc2ccccc2)SC1=S	2040484105	UFCPKCNTNMLCLI-UHFFFAOYSA-N	415.605	5.220	10	10	HKCE	
Cc1c(NCc2ccc(Br)cc2O)ccc(Br)c1Cl	2138171130	FPMUTYYWQARBKI-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1ccc([C@@H](C)N)c(Br)c1	2186593899	WUZUKVYABLKGCQ-ZJUUUORDSA-N	418.198	5.490	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCCOc2ccccc2)SC1=S	2293531970	IVBYGCSKSYQLAD-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccc3ncccc3c2)c1C	2294137449	DPQTWHLEYZRVDA-UHFFFAOYSA-N	406.489	5.448	10	10	HKCE	
COc1cccc(C(=O)N[C@H](C=Cc2ccccc2)c2c(O)ccc3ccccc23)c1	2297336944	DLQOOFHLGXPYRZ-XMMPIXPASA-N	409.485	5.739	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(F)cc1	2313681456	FNHWYAQPEXJESQ-UHFFFAOYSA-N	422.529	5.044	10	10	HKCE	
CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682811	LFMPJPAFLNHPSC-UHFFFAOYSA-N	419.887	5.294	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709030	RKZCNMILCQSXJC-UHFFFAOYSA-N	406.507	5.217	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1	2321742459	JAVLJNWOWBBIBU-UHFFFAOYSA-N	402.522	5.031	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CC)cc1OCC	2332114127	WCFBKRWOYIGGGG-UHFFFAOYSA-N	407.514	5.246	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641700	QCQBYXCEPLZWMM-RSOWOLOUSA-N	409.526	5.716	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21	14466976	UPYUCWQYZOKSRW-NVGCLXPQSA-N	411.126	6.288	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469663	ZYFIOZFKFYTNLB-ROKPMTFOSA-N	414.461	5.706	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@H]32)CC1	14475355	IOVNCCXTKRFCIV-CLCZQPDDSA-N	422.572	6.538	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476462	UZGRYMUEYBONPF-YZIHRLCOSA-N	411.501	5.879	10	10	HKCE	
COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	20071199	SULFABMBIPMFDQ-WMZHIEFXSA-N	422.868	5.002	10	10	HKCE	
CC(C)(C)c1cccc(CN2CCN(Cc3cccc(C(C)(C)C)c3O)CC2)c1O	20468262	KCYCVTLKTKHIBN-UHFFFAOYSA-N	410.602	5.011	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711901	KZXPLQTVKCOIRA-FQEHYLHMSA-N	415.364	6.348	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2/N(CC)c3ccccc3N2c2ccccc2)SC1=S	33344467	WUUKDMCVJYNRBZ-SGAFJUGLSA-N	407.564	5.270	10	10	HKCE	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(Cl)cc1Cl	59386074	LECCXAHNQMHKQR-WTKPLQERSA-N	421.152	5.495	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	103542638	YOLWIZWKHROFPY-XDHOZWIPSA-N	420.852	5.413	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21	226720803	GMUROBKPDRNKES-VGTOOOLASA-N	411.126	6.288	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1	526323276	SSRPOHZEXWHCBG-QHCPKHFHSA-N	418.562	5.960	10	10	HKCE	
Oc1cc(Br)ccc1CNc1cc(Cl)c(Br)cc1F	703812684	ICUWDGRLZUNSGL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S	1084519806	HZLBUQQZURVEOT-GZTJUZNOSA-N	419.955	5.149	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cc(C)cc(C)c3)C1=O)cn2C	1860084733	GNKNKXNTKWXFGD-KEBDBYFISA-N	408.548	5.210	10	10	HKCE	
CC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	1865656454	LGHLLYJHMWYPJG-NTEUORMPSA-N	407.670	5.043	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865658600	NPWUFMNXLUQSPQ-UQQQWYQISA-N	422.915	6.323	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3c(F)cccc3Cl)C2=O)cc1	1865664118	AXYYTEJOGKNURK-RGEXLXHISA-N	406.844	5.322	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668927	XFFZBAKUPRIAPW-NLRVBDNBSA-N	424.544	6.469	10	10	HKCE	
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1cc(Cl)ccc1Cl	1933291872	SFMVNZLOHORTIO-UHFFFAOYSA-N	412.254	5.097	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2034749510	VMHFRYTXLWWLIE-OAHLLOKOSA-N	411.334	5.781	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(Cl)cc2Br)c1O	2236050391	FCFKEEOFXUSRMN-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	2296509359	WYVIUUSDJGXVPJ-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
COc1ccccc1N1C(=O)C(=C(C)c2cccc(Br)c2)SC1=S	2296881787	AHGVFLMOTFDODX-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2313577349	DWEZFDXHORNCGQ-UHFFFAOYSA-N	409.913	5.515	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(Br)c1	2332098129	TYFSXGPWUXYYNT-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccccc3Cl)N=C2CCC)cccc1OC	2332117445	HYPXOOXVCVUOGJ-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
O=C(NC1CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	20902547	CZTZMAHRNLGQHS-UHFFFAOYSA-N	412.577	6.476	10	10	HKCE	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)cc1	39870099	HHKVGIQDWORWIS-PDGQHHTCSA-N	405.350	6.418	10	10	HKCE	
Cc1cc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)ccc1[N+](=O)[O-]	40868984	YGLQBLASERIPNL-XMMPIXPASA-N	412.445	5.281	10	10	HKCE	
CN(CCCOCc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	384164110	KKMSCZOTIAKTHG-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
COc1ccccc1N1C(=O)C(O)=C(c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1	526408529	XBJFYVUCQAMGKM-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1C	1860076490	CRSRGXJAXFNAGN-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1	1860085606	DLNPFEKWPSHVIR-DEDYPNTBSA-N	408.548	5.753	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC	1860086467	JTYMZORGPBRZNU-CXUHLZMHSA-N	405.928	5.071	10	10	HKCE	
CC[C@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	1874152841	AYMVMRLFUJVDKO-KRWDZBQOSA-N	420.509	5.310	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCCC2)nn1Cc1cccc(C(F)(F)F)c1O	2069900959	HNOQMZOGLZPMOK-UHFFFAOYSA-N	424.463	5.659	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC[C@H](OCc3ccccc3)C2)c(Br)c1	2129812720	ZFXZTZOMWHNJFG-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1	2296397972	KLPUQTCZULSGAW-UHFFFAOYSA-N	404.278	5.420	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1	2297366672	AWKUVVVQMJLMAI-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)cc1F	2321755905	SPZBFNGLTCYFCH-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCc1ccccc1	2332106556	GXFBYYXIQOMFCR-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cccc1OC	2332117540	SHPCOYAQXWJJOC-UHFFFAOYSA-N	412.489	5.237	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC	2332124648	ZZYOAFJPLQEOIE-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1O	14457464	GUTXSBQBNRZRON-RNHFSVANSA-N	418.537	5.099	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	14462095	XZWGDOWADXNFHI-PPJWLVRDSA-N	406.570	5.775	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462138	ZDIWWFBUIWRWNG-PNIUZAESSA-N	424.588	6.938	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464351	ZPBYFTKKBBOIFP-XXJPWZBZSA-N	417.552	7.288	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14472226	SUETYOAGRYBKEL-FXSPECFOSA-N	418.537	6.771	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543873	MKIBXXVFAGCGEE-DPZBCOQUSA-N	424.544	6.188	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20720358	XJUVQTPHLFFZLF-COKJOHSESA-N	411.549	6.011	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	59462430	DHHPXZADNWDBKI-FPAYPSAMSA-N	402.925	5.745	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Br)cc1Br)CC(C)(C)C[C@H]2O	110036330	PUGAHPPAFMHKBM-MRXNPFEDSA-N	413.153	5.317	10	10	HKCE	
CC(C)(C)c1ccc(OCCCNC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1	217299439	HUXMKDDNPVQLOW-UHFFFAOYSA-N	417.553	5.883	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226865619	ADFXOXFARVPWJV-RCDCFZSISA-N	412.274	5.599	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226867736	CIHIGOPUGCRNIJ-SLSDLSHTSA-N	416.565	5.784	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccccc1	226910691	BOUFHCQDRIXCRF-ZFGGDYGUSA-N	411.461	5.674	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	379457149	OMECZOZBOSAXOH-GOSISDBHSA-N	409.371	5.936	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917750	VPKAZYQCZSNTRK-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1cc(F)ccc1F	1860087376	SWFOFIHUSNKABI-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	1860087872	XSBPQQURSDBQHI-OVCLIPMQSA-N	422.940	5.376	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1ccccc1F	1865664953	UMQDLRJLGYLLFW-GHXNOFRVSA-N	417.189	5.477	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)CCC3)sc(C)c1-c1ccccc1	1866057665	QAKUJXFOEDCBDR-UHFFFAOYSA-N	419.502	5.281	10	10	HKCE	
CNc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1	1866084452	JSOMXLLBGCKWDZ-UHFFFAOYSA-N	408.523	5.421	10	10	HKCE	
CCCN[C@@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1	2236166459	XWVPMIGNGCZHOK-DEOSSOPVSA-N	411.590	5.280	10	10	HKCE	
Cc1c(C=Cc2nc3ccccc3c(=O)n2C)c2ccccc2n1Cc1ccccc1	2297469640	UIGOFVOJANIDSN-UHFFFAOYSA-N	405.501	5.415	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N(Cc3ccc(C)cc3)C1=O)=C2	2314450544	CGILGKSDVPMYMO-HNNXBMFYSA-N	423.559	5.112	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S	2321569930	ZKNJREBCRURKQI-UHFFFAOYSA-N	419.984	5.326	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1	2321698315	ZVEUWGGJMIKGTE-UHFFFAOYSA-N	403.572	6.543	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	2321730155	ICYBRAOFHMWSCB-UHFFFAOYSA-N	407.564	5.130	10	10	HKCE	
O=C1C(=Cc2ccccc2F)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332095890	CTWISKWHSXCPDW-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14458823	SEXUIYGXFZPLKU-JPYHZWLXSA-N	408.545	6.393	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14460535	PREVMOAUSPBGCF-ZEVJAHDQSA-N	401.937	6.788	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14460568	AVIRPIXTDHCWCP-JCYRPKCISA-N	415.964	7.178	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1	14478352	VJQARFWVRGZZSM-XLNZFTOWSA-N	417.509	5.293	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478764	PZNXHXGZKLDVCA-JCYRPKCISA-N	408.545	5.794	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546868	GQXHKCVZHFRPJV-MFLXSWDHSA-N	401.337	5.958	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550381	RRKVMQVSZQAEEY-WRALFONMSA-N	416.565	5.926	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550504	IXMXBZPVLMBHOD-FXSPECFOSA-N	413.517	5.980	10	10	HKCE	
COc1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c(OC)c1	105288630	PSXMWRFRIZHBJN-RUZDIDTESA-N	413.473	5.082	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1C1CCCCCCCCCCC1	1858587664	SQTPSWMDNPUSKG-CAPFRKAQSA-N	422.059	7.215	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860073570	RZJMMJFQTJSTHX-LDADJPATSA-N	401.984	6.352	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1	1860085393	IETMSGADKRFJMQ-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	1865669685	RCNYWHVGLPGFLP-QINSGFPZSA-N	408.807	5.477	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1c1ccccc1	1865674576	MTLBLMNDYRKCFT-JWGURIENSA-N	416.908	5.963	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccccc1OCc1ccccc1	1891717535	LSNSPRWKECAZRD-UPVQGACJSA-N	412.533	5.184	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@@](C)(O)CC)c(Br)c1	1915198736	PNPMWVUPAUDECL-QFIPXVFZSA-N	419.407	5.116	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2034747187	NQVCJIYBEGHADE-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1	2150354621	DYIKMPJDMJFHRU-CQSZACIVSA-N	417.377	5.072	10	10	HKCE	
COc1cc(C=C2C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OC	2294259206	SKLVBNYSGCPGPY-UHFFFAOYSA-N	421.674	5.101	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	2297297824	PMPCSELVGFJXCO-UHFFFAOYSA-N	423.812	5.020	10	10	HKCE	
CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc21	2297318975	DSODRTOQQIPZBP-UHFFFAOYSA-N	416.883	5.999	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)cc1	2321582883	NIIDLGQAMMOXDJ-UHFFFAOYSA-N	400.544	5.386	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O	2323681367	RKRKWMOEMVYHLD-ZQDZILKHSA-N	417.625	5.039	10	10	HKCE	
CC(C)(C)OC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N	975542	QZJODDDMPCSNHE-UHFFFAOYSA-N	400.447	5.581	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1	1086317	IUDQSKBQFGYAMN-STZFKDTASA-N	420.559	5.509	10	10	HKCE	
CC[C@H](C)N1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	6004990	PGVVABTZTDYFJI-VLURKWGBSA-N	405.629	5.987	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S	8872460	CAPHVYVUXFWNST-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457666	NOOHABGKPJVXHP-XGHQBKJUSA-N	415.318	6.043	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460319	QEWRVFWFWQGRLE-DXIQSLLYSA-N	416.974	5.197	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14479097	WTWFXZYGFOYKLN-QONNDPFASA-N	408.545	6.393	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1	20697548	DNAAFAQHAUNIRA-RQTOMXEWSA-N	417.597	5.888	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	59397148	HYTMTDDTCQRRMA-WZMONFQBSA-N	400.491	5.176	10	10	HKCE	
O=C1/C(=C/NC2CCCCCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	103247642	WTJFNEITEBZSNV-WYMLVPIESA-N	422.476	5.148	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226668073	IQDVFUKWESKMSB-BEYSDYMESA-N	409.573	7.060	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226843659	MRWYCNKYAOHQHG-CKNLXJGOSA-N	423.365	5.070	10	10	HKCE	
CCN(CC[n+]1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1	255977733	HXCGCDGDOIUVCC-UHFFFAOYSA-N	410.885	5.478	10	10	HKCE	
COc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526220964	XWTNCKDCBYKVBM-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)c(O)c2)cc1	526457967	ODYFRYJNWLAESH-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(Cc2ccccc2)N=C1c1ccccc1	1865667040	BAXTWBZCMJLFMZ-BWAHOGKJSA-N	418.496	5.679	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865669907	YCOWCDGXCCERES-BOPFTXTBSA-N	408.807	5.083	10	10	HKCE	
CCOc1c(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cccc1OC	1865670375	XBOMNBOTBXROHU-GDNBJRDFSA-N	424.806	5.096	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3c4c(nc5ccc(F)cc35)CCC4)cc2)cc1	1866273211	XWVZXCYRIOOKTA-UHFFFAOYSA-N	411.480	5.288	10	10	HKCE	
CCc1nn(Cc2c(O)cccc2Br)c(Br)c1C(C)(C)C	2079616228	PFRYXXVLYOEMSD-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
Oc1cc(F)ccc1CNc1c(Br)cc(Cl)cc1Br	2139886365	AWGKRRBGXVOCCJ-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1cccc2ccccc12	2313538614	USGXCFTVGVEHDD-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2ccc(C(C)C)cc2)cc1	2332103865	AZWBYBQDVLHDDB-UHFFFAOYSA-N	410.517	5.962	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC	2332124333	RFTULYFQEZAPGJ-UHFFFAOYSA-N	412.452	5.064	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccccc3C)cc2)C1=O	2332133457	PQFOVUMSWNUOQT-UHFFFAOYSA-N	402.416	5.128	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)C3CCCC3)ccc21	3057289	MOYFYUOLZDBZOH-UHFFFAOYSA-N	407.627	5.909	10	10	HKCE	
Nc1c(Oc2ccccc2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O	4644834	LOMQMQPZVOYJBN-UHFFFAOYSA-N	406.441	5.580	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13638487	RQBXHOILNFHGMH-HFMPRLQTSA-N	417.350	7.019	10	10	HKCE	
CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642170	CRTFPBNLIYZITM-IKSSWHGMSA-N	408.545	7.040	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	14476426	DYPWOUKXZMWTRH-BVFVYWQFSA-N	413.517	6.109	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14479943	IHXLCIIIZWCPTE-SGIRGMQISA-N	422.594	5.386	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552243	UCLLKRXRFRDAAH-YVHKJVDXSA-N	412.986	6.627	10	10	HKCE	
O=C(/C=C\c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O	33662262	LRTXLINAKOAETK-OOZJCBPQSA-N	402.881	5.437	10	10	HKCE	
CN1C(=O)/C(=C/c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S	35655867	ZYMLWWMICRIUKP-NVNXTCNLSA-N	423.346	5.077	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1	83262919	IVKDJBATMIONKG-JXAWBTAJSA-N	422.311	6.473	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)Cc1ccccc1O	253385235	RVOCUNXAABTTGU-AWEZNQCLSA-N	420.292	5.288	10	10	HKCE	
C/C(=C/c1ccc(N(C)C)cc1)c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1	1082888866	IDEBFCIGOGDKBC-UZYVYHOESA-N	408.590	7.990	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	1860085065	JRHIJAXLNDNBEC-DEDYPNTBSA-N	406.532	5.017	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2CCC)cc1	1865668445	YFIDFTILDXXVSZ-LTGZKZEYSA-N	410.945	6.101	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c(OC)c1	1865679048	RPTXMVZFUZNUHH-STZFKDTASA-N	418.880	5.192	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2095889323	WRFLMLLFNGJRQQ-UHFFFAOYSA-N	414.343	5.886	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C	2297576941	AMKGFBCAIUEBNK-UHFFFAOYSA-N	413.564	5.505	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1	2314741452	ZNENCHQNZSAKNL-UHFFFAOYSA-N	417.596	5.061	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1	2321586538	MAPBTJAWDPFJMP-UHFFFAOYSA-N	417.939	5.313	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	2321607278	WYFSNIAYIPVNIE-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629381	VQVGFJKPUZGGDY-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1ccc(C)cc1	2326823740	HPGRTFHRFBYFGZ-UHFFFAOYSA-N	405.519	5.779	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141709	RSGJABZCTQMGTP-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455916	SSSKBMYDFSIUKY-NHCICSSKSA-N	414.574	5.856	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	14464884	KKAKMUZPCJDASB-MIZPHKNDSA-N	400.909	6.419	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)c1ccccc1	14475632	BLPWFWIWFNVEFA-OARDWFSCSA-N	416.524	6.919	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477263	KMFNOGLLGAZPJC-WMUXEFRJSA-N	416.348	6.378	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14478308	GYNKWOLOQFTLHC-ISJBWFOZSA-N	418.537	6.771	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543354	ROWLINWKRDDIEJ-FBLLAGFSSA-N	416.565	5.928	10	10	HKCE	
O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	16905998	QVKFBGDDFKFMNU-VGOFMYFVSA-N	410.303	5.097	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	20680913	NYXCBFABMLMXCF-MBOZVWFJSA-N	411.343	5.415	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686395	HZDSOQFURXNGGL-RQTOMXEWSA-N	415.581	5.642	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20707251	NGTMWJIMVJVGKK-IECBHUPTSA-N	402.538	5.623	10	10	HKCE	
COC(=O)c1cccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	54619895	ZWCZCLHGJPQNGD-OAQYLSRUSA-N	402.425	5.068	10	10	HKCE	
Oc1c([C@@H](Nc2cc(Cl)cc(Cl)c2)c2cccs2)ccc2cccnc12	54621542	XPPRERPIOLZUGE-LJQANCHMSA-N	401.318	6.510	10	10	HKCE	
Brc1cccc([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]23)c1	58929459	KLQBNLNRIHAPJP-ZFGGDYGUSA-N	402.335	6.943	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	226832611	SCRDNEPIELXGBM-DVSDUFGPSA-N	416.348	6.378	10	10	HKCE	
COc1ccc(N(Cc2nc(O)c3c(-c4ccco4)csc3n2)CC(C)C)cc1	728918036	SEEIIRKPOYCBHE-UHFFFAOYSA-N	409.511	5.328	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1	1858594247	QKNUQVIHDAILMH-GDUPUGJQSA-N	408.592	5.033	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1	1860086358	BIMKSMXIRMROLX-NTUHNPAUSA-N	405.957	5.072	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860086561	RIKFFYHRWFGFOV-VCHYOVAHSA-N	419.955	5.542	10	10	HKCE	
CC(=O)Nc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	1860488140	FCICFGTWARJPAF-BYYHNAKLSA-N	413.525	5.051	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677405	HNSSREGZWOVOAE-KGENOOAVSA-N	406.844	5.322	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	1865679990	QYDDPRZQUMABLJ-HAHDFKILSA-N	411.461	5.042	10	10	HKCE	
CCCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870786021	OCBPJLNEBBMPSW-UHFFFAOYSA-N	419.569	6.183	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2034732560	SLGJZSWUIGQPGU-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(OC(F)F)cc3)SC2=S)cc1	2040469180	BDOKPPFKLGCQTJ-UHFFFAOYSA-N	407.463	5.093	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1	2313538429	HLQBKMMEKREVLL-UHFFFAOYSA-N	420.871	5.864	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323766983	ATPIDLIFIQQIAN-LLVKDONJSA-N	404.900	5.211	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S	2323850870	SPEWCXGCIWUTKK-MRXNPFEDSA-N	407.601	5.654	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(Cc2cccc(C(F)(F)F)c2)C1=O	2323889579	DRIRRVAZCIOHJS-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2332104206	MPJIQBIORNSCHA-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1OC	2332130961	WWKFFHFOPGDAKA-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1Cc1ccc(Cl)c(Cl)c1	7016901	JGKNPEDYKSNJBW-XWSNBJDESA-N	406.359	5.951	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	12412752	OUUCRFRURKWRGV-UCQKPKSFSA-N	402.881	5.725	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459203	PIBJICWAZQDVHB-JXQFQVJHSA-N	418.537	5.244	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)NC(C)C)cccc2[C@H]2C=CC[C@@H]21	14544307	XJSNSIUDXATBAQ-BNIKKZEQSA-N	412.533	5.813	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	20753393	VGQJBVWXILRRLL-FHAGJXEFSA-N	408.457	6.433	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	96505156	YDFUVKZYVYXKKK-LICLKQGHSA-N	407.482	6.235	10	10	HKCE	
Nc1ccc(N(C(=O)/C=C/c2cc3c(cn2)[nH]c2ccccc23)c2ccccc2)cc1	170261714	LPGFBKOVKAMHEG-NTCAYCPXSA-N	404.473	5.676	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC	1858587423	AOEORFQETAIWCU-DEDYPNTBSA-N	413.564	5.194	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1	1860075045	GACXVKIMHAUIMX-CPNJWEJPSA-N	400.544	5.073	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	1860085739	XBRZRNDWWCDWPL-HMMYKYKNSA-N	411.592	6.179	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2CC)cc1OC	1865671302	UYQWREHCUKZTAN-XMHGGMMESA-N	412.917	5.724	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@@H](N)c1ccc(N2CCCCC2)cc1)Cc1ccccc1	1999538147	JYOULHPRQQKLHP-XMMPIXPASA-N	423.601	5.504	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)[C@@H]1C(C)(C)C	2192489617	WYNDAEGJNQPWNU-DOTOQJQBSA-N	417.377	5.213	10	10	HKCE	
Cc1ccc(OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c(Br)c1	12583492	UDKXUHOPRBIAPD-OCOZRVBESA-N	424.298	6.190	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@@H]21	13645947	TXNOXAVCJLNGLM-WFXMLNOXSA-N	414.596	5.058	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14456095	NTUVMOHOFXMNNF-IZIIKQMZSA-N	403.547	6.341	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466950	SAEGMNSIGXCYQW-GCKMJXCFSA-N	403.353	6.372	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476412	QXMSPRFFVAPSOQ-UZINWLIJSA-N	412.489	6.309	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703168	NBJIZZSOUCMFEN-TYBLODHISA-N	422.355	7.399	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21	20708501	WWYBUOMMUQEKFU-TZBSWOFLSA-N	412.533	5.433	10	10	HKCE	
O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1C1CCCCC1	33399147	BJVSAYKWASUMHK-ZROIWOOFSA-N	400.338	5.122	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363225	DUZDJHPOKCPIRF-BVAGGSTKSA-N	418.512	5.715	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1	54620815	LMFCGUVZFWMJJK-QHCPKHFHSA-N	416.477	5.610	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)SC2=S)c(C)c1	59397043	NOSXGCQSFCHXCL-JYRVWZFOSA-N	410.383	5.533	10	10	HKCE	
CC(C)=CCC/C(C)=C\Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	114827457	XCYSQFHYFNWYFP-AELLWPAVSA-N	424.493	5.451	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	250512678	SCDKSUFNBJZLCA-ZOJNDGCKSA-N	424.544	5.575	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665939	UKVPEQYNEVSLLL-XIEYBQDHSA-N	418.496	5.991	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865672822	MLZGSXKAIGADTP-ZHZULCJRSA-N	415.459	5.185	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC(C)C	1865676728	NDTRYTQMDHMMRY-SFQUDFHCSA-N	417.336	6.367	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2F)cc1	1873523319	NZUCBWHCBRRLDP-UHFFFAOYSA-N	416.500	5.327	10	10	HKCE	
CN[C@H](C)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	1892591289	OQFOTAPJMLPAJF-VGSWGCGISA-N	417.391	5.305	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	2034730837	BOUWWDZDRSTOKE-UHFFFAOYSA-N	414.221	5.116	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2095951891	MPZXPZXAKJPSHB-RTBURBONSA-N	417.435	6.561	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1ccc([C@@H](C)O)c(Br)c1	2186631282	VTPREOCLPMDRBF-VHSXEESVSA-N	419.182	5.524	10	10	HKCE	
CSc1cccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	2318776150	ZDEYIMQMMYDARI-UHFFFAOYSA-N	402.567	5.814	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21	13637325	MCQACANGXHKRHK-WRALFONMSA-N	410.517	5.191	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC(C)C)cccc4[C@@H]4C=CC[C@H]43)ccc21	20685350	PXAVDCLFROYZRL-SAFLGMMZSA-N	422.572	7.428	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21)N1CCOCC1	20708226	CGBWOAKLDFTNJA-TZBSWOFLSA-N	410.517	5.139	10	10	HKCE	
COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC(C)C)cc2)CCCCC3)c1	33114802	INNCKBICQYHPGI-UHFFFAOYSA-N	402.538	5.560	10	10	HKCE	
CC[C@@H](NCc1cc(F)ccc1Br)c1cc(Br)ccc1O	38038989	NSQKKGKRIGRXRH-OAHLLOKOSA-N	417.116	5.297	10	10	HKCE	
Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1	96640295	PFSGPACQMXPRCU-FYJGNVAPSA-N	421.543	5.568	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226724636	MORJUVHNJNZASR-WIEQDCTASA-N	413.315	5.330	10	10	HKCE	
Cc1cc(C)n(-c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])n1	256017889	JRONXGUMWOHQJC-UHFFFAOYSA-N	414.429	5.346	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1	526180654	KEGMYFXSYZRYBP-LJQANCHMSA-N	413.882	5.178	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Br)c1O)c1ccccc1Br	708111898	YKTFPAYWOZEMRQ-VIFPVBQESA-N	419.544	5.421	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1CCc1c[nH]c2ccccc12	1860074738	ILEPHSNVEPHRRG-VCHYOVAHSA-N	416.930	5.404	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865668167	JOBDMXVBCHNEPJ-ZHZULCJRSA-N	416.443	5.518	10	10	HKCE	
CN(Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2054254956	HAQZYQUJNCIQEQ-UHFFFAOYSA-N	405.336	5.110	10	10	HKCE	
CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2-c2cccc3ccccc23)cc1	2297302643	VKVSRTDSURLONI-UHFFFAOYSA-N	417.512	5.775	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)SC2=S)cc1	2297357270	CUBFLDXENMEOMG-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(F)cc2)sc(C)c1-c1ccccc1	2314738758	PVYREFCTHRVLJZ-UHFFFAOYSA-N	409.482	5.691	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1	2321613355	RPANBKRSTXFEEO-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S	2321635537	HZLOYFZGWLUHAE-UHFFFAOYSA-N	410.347	5.716	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1Br	2321702502	LUGUWCPEUUWXNQ-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCC	2323790923	VDYKHFNOBQEYSU-GDBMZVCRSA-N	405.585	5.264	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332096527	RZPHJOKXXYTHHT-UHFFFAOYSA-N	417.512	5.740	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131276	BVKGHKYMOYRWSA-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@H](C)C3)cc1	2909566	HRUQZCSOTNXABO-HNNXBMFYSA-N	424.566	6.037	10	10	HKCE	
COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1	4757652	ZVWBYHKNNYFADF-IZZDOVSWSA-N	415.537	5.440	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3O)C2)cc1	9541296	SACYCUBACUGWEK-GGAORHGYSA-N	421.338	5.686	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2)c1ccccc1	14480378	AHXUKPQVCNLJMQ-DPZBCOQUSA-N	408.545	6.488	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544415	WTCQEXFJEONXNI-SBQVMTCPSA-N	415.533	6.090	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccnc2)N3)cc1	14547717	DPBHRRQQHMVCRP-ZEVJAHDQSA-N	423.560	6.458	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549122	KBPHXYMUPXMJSX-UZINWLIJSA-N	416.351	8.126	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549237	WXBFERBYEBBCNO-MRCUYLHHSA-N	405.497	6.606	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1	33309033	BYQXSNDTXTXEGC-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
COc1ccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	34855924	NNOKUDVNXTVZGY-NVNXTCNLSA-N	424.330	5.044	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cc(Cl)cc(Cl)c3)c3ccncc3)c(O)c2n1	54621570	DCVXKTLFLUZIDP-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c1	96594489	KEKJATMYQQMPIE-NDENLUEZSA-N	401.466	5.346	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226830863	HWOLHNRGSXXAGK-HLFMIMNKSA-N	401.337	6.559	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226900418	CYROTHFZIWPZTI-AHPZMPFVSA-N	405.541	7.607	10	10	HKCE	
Cc1cc([N+](=O)[O-])cnc1O[C@H](c1ccc(-n2c(C)ccc2C)cc1)C(F)(F)F	247940970	USUXLNLAGLGODT-GOSISDBHSA-N	405.376	5.388	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl	1084206318	YSMLIIRHWJUHMB-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1C1CCCCC1	1858586410	GTUUUIIEXQURIL-RIYZIHGNSA-N	400.338	5.122	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858590784	IPGJHFLYGYXWDC-DLEKYWELSA-N	412.418	6.009	10	10	HKCE	
CCCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873421792	QWUHGLQNIBIRKW-UHFFFAOYSA-N	413.521	5.005	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079032012	VUQZZGDJWYGHEP-QGZVFWFLSA-N	407.352	5.405	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079999305	WKDBVOIWZFXPML-FQEVSTJZSA-N	416.949	5.693	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	2095917040	XMCPWZTZOGDQGQ-UHFFFAOYSA-N	417.435	6.390	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccccc1	2293402303	HFLGDRWVTDWJGA-UHFFFAOYSA-N	408.460	5.261	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S	2321653614	ZRMGCDWILJEJIW-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccc(C)cc2)N=C1c1ccccc1	2332113546	HXDHYJOGHZFECD-UHFFFAOYSA-N	418.496	5.991	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639075	NYXCBFABMLMXCF-ABSDTBQOSA-N	411.343	5.415	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639212	WQPJXDLVIKOYNY-KNKQGSTJSA-N	414.343	5.691	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)C)cccc3[C@H]3C=CC[C@H]32)cc1	14461935	NQHIGWZEHINEFD-IMSXRSKXSA-N	403.570	5.498	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462335	XCNYJGMDQYBGAI-VRUMLPLGSA-N	403.570	6.098	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14469202	AMHWEWIKCOINIY-GLDPYIMESA-N	420.509	5.042	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475554	HHZJDLAONFMQBC-VBOOUTDYSA-N	424.588	6.929	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691839	KMVMOLSYJMJQBN-AZSVPQILSA-N	414.593	6.455	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21)C1CCCCC1	20707248	NGTMWJIMVJVGKK-IMWIBFENSA-N	402.538	5.623	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	38529363	CLKRBFGIDHLZDD-GDZNIHBZSA-N	407.558	6.786	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363232	ZWQPOXZWJIXIDQ-VWNXMTODSA-N	408.904	5.970	10	10	HKCE	
CCc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)cc1	58981895	GFSLNIFAPYXVJV-UHFFFAOYSA-N	403.595	5.714	10	10	HKCE	
CCCCN(CC)c1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1	206938805	FCSNGCSFFJFPBJ-UHFFFAOYSA-N	413.521	5.414	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	226803323	OCTGVUZWDHKZAW-OTNCWRBYSA-N	414.936	6.727	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1084097590	MZRJPZHZCPWCMD-OVCLIPMQSA-N	424.425	5.328	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(C3CCCCCCC3)C1=O)cn2C	1858586889	XANLDHAFFPSFFS-UDWIEESQSA-N	414.596	5.501	10	10	HKCE	
O=C(Cc1ccc(-c2ccccc2)s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	1858765060	IQCHMVVRPWIKMY-UHFFFAOYSA-N	423.493	5.372	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(F)cc2F)cc1	1865673389	BNJUDDOUXAPQBS-RGVLZGJSSA-N	424.834	5.461	10	10	HKCE	
CCCCOC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	1874150492	DWDLBJBHFJCFSU-UHFFFAOYSA-N	420.509	5.312	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(Cl)c1O	2296827821	QGNYXRBUGQLCSE-UHFFFAOYSA-N	406.869	5.404	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1	2321579666	ABPNFKVQVPFBHS-UHFFFAOYSA-N	420.962	5.731	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S	2323850937	YSYIVGLEPBFGKI-INIZCTEOSA-N	407.601	5.654	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1	2332099788	DZKKUVOXQKPFFZ-UHFFFAOYSA-N	400.444	5.637	10	10	HKCE	
CCOc1cc(/C=C2/SC(S)=NC2=O)ccc1OCc1cccc(Cl)c1	6595621	NTXKPMGZICZZCX-LICLKQGHSA-N	405.928	5.218	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639452	WZXLIOXLIPNFBD-UEXGIBASSA-N	411.343	5.415	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464057	JVRVYKTUGMOZOW-HOKHCIIBSA-N	418.562	5.353	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14472617	QDXAXZGKCRNMEP-AXHZCLLHSA-N	418.880	6.867	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14475329	FSRFYNLYKHUBSR-PPJWLVRDSA-N	408.545	6.292	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14545861	TUAQFTKLOTUKFR-LZCXECNNSA-N	410.517	6.164	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550386	UBDWBIAJIHJVQM-HFMPRLQTSA-N	402.538	5.394	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCCCCC1	20698862	YASOENKAOSBJHZ-RWCIVJTCSA-N	422.572	6.683	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701793	YCRJDTABVMDNPH-SIFCLUCFSA-N	404.337	6.704	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865666034	ZOEYDZJDRLJBBX-OQLLNIDSSA-N	424.125	5.952	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1	1865670206	OFKFXKUOPOZEGR-HAVVHWLPSA-N	408.517	5.977	10	10	HKCE	
O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891191032	OJKTXKMOFFVZRW-JXFKEZNVSA-N	403.353	5.231	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(C)C2CC(OCc3ccccc3)C2)cc1Br	2100212033	XVOWKWSTGPEULN-DZIBYMRMSA-N	417.391	5.304	10	10	HKCE	
CC[C@@H](NCc1sc(Br)cc1C)c1cc(Br)ccc1O	2157008260	OPNSKPNEWJPDFM-GFCCVEGCSA-N	419.182	5.528	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(C=C1C(=O)N(c3ccccc3)N=C1c1ccccc1)=C2	2314450661	KCPUCEWAMVFVTN-SFHVURJKSA-N	422.484	5.237	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2314532252	IBVCZQPLXQBVHD-UHFFFAOYSA-N	404.516	5.204	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OCC	2323790926	VDYKHFNOBQEYSU-ZBFHGGJFSA-N	405.585	5.264	10	10	HKCE	
CCCCCCOc1ccc(N=NN2CCN(c3cccc(Cl)c3)CC2)cc1	2330221690	NGBKCGQDOJBXCN-UHFFFAOYSA-N	400.954	6.120	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1O	2332124731	KBZKTEPVAKYIIB-UHFFFAOYSA-N	419.706	5.394	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCCCc2ccccc2)c(OC)c1	2332126813	GSCIZCXUPIKCSU-UHFFFAOYSA-N	420.553	5.499	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCCC(C)C	2304108	GQKKWDKBLZWTCX-XSFVSMFZSA-N	419.612	5.654	10	10	HKCE	
O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2Cl)c2ccc3cccnc3c2O)cc1	5278152	ZNAGPVDUXCMETL-NRFANRHFSA-N	405.841	5.704	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644023	HZDSOQFURXNGGL-FBLLAGFSSA-N	415.581	5.642	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14466475	ZDHPGLYTTQKLRE-LZCXECNNSA-N	401.937	6.788	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471403	AFYMRZQLYGGOLE-XFQAVAEZSA-N	411.889	5.215	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2	14546399	YJDXGKPRCHBVTD-WZOHSFFVSA-N	404.554	5.784	10	10	HKCE	
CCC[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCN1C(=O)OC(C)(C)C	380408392	STJSNSSJVLFMQC-HXUWFJFHSA-N	417.377	5.358	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C(C)C)C2=O)cc1OC	1860086410	FXNHATNJVJMTCX-DEDYPNTBSA-N	413.564	5.623	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)c1	1860087854	WSHMAPOWCBUMAI-OQLLNIDSSA-N	411.495	5.833	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2CCC)cc1	1865669981	BHCXWHUDRJKQTC-OQKWZONESA-N	424.972	6.491	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C	1873836186	OJTLNXRZQUNFJF-UHFFFAOYSA-N	424.544	5.945	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079025288	LPLXBWPROZQJHU-SFHVURJKSA-N	402.922	5.168	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C(C)C	2079691294	VEKLOLSCFWYRQB-UHFFFAOYSA-N	405.258	5.665	10	10	HKCE	
CCc1c(C2CCC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079817647	HJZVWIZLIBXOIU-UHFFFAOYSA-N	403.242	5.248	10	10	HKCE	
COc1ccc2ccc(OC)c(C=C3SC(=O)N(Cc4ccccc4)C3=O)c2c1	2297346931	OUJVBUCFBGIXCE-UHFFFAOYSA-N	405.475	5.094	10	10	HKCE	
Cn1cc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21	2297469069	NVRVWKMOXLSPKX-UHFFFAOYSA-N	419.358	5.891	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321687357	YUSHHYIIKUJWIN-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
CCCCCC[C@@]1(C)N=C(c2ccc(OC)cc2)C[C@@H](c2cccc(OC)c2O)N1	4729881	FOKFXNMEZZGZLA-DHLKQENFSA-N	410.558	5.620	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2	14458488	ORUGAZWKJBKIKU-RQTOMXEWSA-N	424.610	5.632	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14466471	ZDHPGLYTTQKLRE-ISJBWFOZSA-N	401.937	6.788	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14548219	IAMAMYCKSRYBFP-VNZAXJPBSA-N	419.524	6.951	10	10	HKCE	
O=[N+]([O-])c1cccc(/N=N/N(c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1	59464998	TWWFOPLCPRXNEG-ISLYRVAYSA-N	404.597	5.336	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226680210	KRQQTDFXAODMNO-UMFSSWHCSA-N	415.581	5.595	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1ccccc1O	381651680	APJWLAGWUQXFRK-MRVPVSSYSA-N	405.517	5.744	10	10	HKCE	
O=C(O)c1cc2ccccc2c(N=Nc2ccc3ccccc3c2S(=O)(=O)O)c1O	606508370	PWUSHZPXYOALFZ-UHFFFAOYSA-N	422.418	5.059	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865666875	XBCIWJKTSYXBBD-QPEQYQDCSA-N	401.171	5.048	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)cc1OC	1865671198	PJEWXFMIYKVOLL-XMHGGMMESA-N	410.489	5.205	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1	1865965079	OKUKSHOOSRSERP-UHFFFAOYSA-N	408.457	5.544	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2Br)cc1C	2080030053	IGCFWKQWPOFHCP-GOSISDBHSA-N	420.395	5.114	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2Br)cc1C	2080035129	QLDBDYWWJBSWRG-CQSZACIVSA-N	419.241	5.045	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)O)c(Br)c1	2231473029	ZZOLSIBKOWNREN-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
Cc1cc(N2CCCC2)ccc1C=C1SC(=O)N(Cc2ccccc2Cl)C1=O	2293983744	UWYBUEVXJVDWBG-UHFFFAOYSA-N	412.942	5.485	10	10	HKCE	
CCCCN(CCCC)CN1C(=O)SC(=Cc2ccc(N(CC)CC)cc2)C1=O	2297188014	GMYZRMMNYBKANR-UHFFFAOYSA-N	417.619	5.429	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	2321748927	DSVBOYUYLCCXGB-UHFFFAOYSA-N	408.470	5.177	10	10	HKCE	
CC(C)C1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	5842604	QLCQBCXYUBJIQD-AEGPPMQASA-N	418.522	5.102	10	10	HKCE	
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)c1	6475495	HSWANJMVRCZQSF-PDGQHHTCSA-N	407.472	5.051	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456757	LRLYQHWPBGKXIY-LIXHSBQKSA-N	401.575	6.895	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476298	FCLGRLIBQFVQFB-GLDPYIMESA-N	422.355	7.399	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1	14477698	UQXIONGMEPETGV-UMEGOILYSA-N	422.355	7.399	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545862	TUAQFTKLOTUKFR-WOVHNISZSA-N	410.517	6.164	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20699882	XBXXTPJIYUGYFK-PLXFJCCSSA-N	407.985	7.516	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C(/C)c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	210159302	HUYMGNCBKSZAPN-XMHGGMMESA-N	412.536	5.733	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c(C)c1	1860084886	VCXFDPVXDOMMKG-CXUHLZMHSA-N	422.344	5.611	10	10	HKCE	
CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N(CC)c1cccc(C)c1	1860484501	QBRBJMUXQRYULQ-OCOZRVBESA-N	412.534	5.154	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	1865664903	RDRLBBNYXIOVNP-ZROIWOOFSA-N	413.226	5.646	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3cc(Cl)ccc3O)C2=O)c1	1865666239	FWYPZNNLNIKQLZ-SXGWCWSVSA-N	408.807	5.007	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2CCC)cc1	1865670243	QCLDNMJBYJIYAY-OQKWZONESA-N	410.945	6.495	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675906	GOCFXSGSUICUTM-HAVVHWLPSA-N	410.473	5.410	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2cccc(F)c2)sc(C)c1-c1ccc(C)cc1	1866126057	VMJNEPJTOPPSGZ-UHFFFAOYSA-N	411.498	5.529	10	10	HKCE	
Oc1c(Cn2nc(C3CC3)c(C(F)F)c2Br)cccc1C(F)(F)F	2079714831	RBUPWUVXYGHAGP-UHFFFAOYSA-N	411.168	5.233	10	10	HKCE	
CC[C@H](Nc1cccc(F)c1Br)c1cc(Br)ccc1O	2146004152	SAOHXGCVQMDIFB-LBPRGKRZSA-N	403.089	5.620	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)c1	2321660722	KWCQRZAVZFIEGH-UHFFFAOYSA-N	407.438	5.314	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	2323681303	NINZZJBSLSBCKF-HYJFEMIMSA-N	414.640	5.559	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)[C@H](C)CC)ccc21	3585155	KLLDFHWUCRRZPY-OAQYLSRUSA-N	423.670	6.464	10	10	HKCE	
CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729506	QYDVTZOFYGNQOR-TZIWHRDSSA-N	401.348	5.367	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13636109	TWFRYMQQGHERIB-NLJOTIRTSA-N	403.566	6.871	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459408	IJVYSWQJMSYYMR-RNHFSVANSA-N	420.553	5.490	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465636	TVCQYMDHVLHWTM-DPLHUUCSSA-N	408.973	6.429	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470015	MPPHOJPSOHIDEB-ZEVJAHDQSA-N	424.544	5.794	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1	14478350	VJQARFWVRGZZSM-AXHZCLLHSA-N	417.509	5.293	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14546556	RQHDDQGGABVAJL-QZTZHPFYSA-N	407.344	7.564	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226846545	GRFCPPKMBKOZSX-MRJKTFCFSA-N	424.544	6.075	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	250500598	FYALJYIWVLQWDW-SKVJQKLOSA-N	422.572	6.683	10	10	HKCE	
C[C@@H]1CCCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])C1	256018073	LXQCXLWVMPZPFQ-MRXNPFEDSA-N	417.473	5.780	10	10	HKCE	
Cc1c(Br)cccc1NCc1cc(Cl)cc(Br)c1O	708169298	FQCSCINFMRPVDO-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588517	KBLAEKDUISBREN-NKLNTLBZSA-N	401.597	5.500	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	1860074805	OLSVVLAVOWZFOC-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	1865670190	NQEADXRZWWONGL-JWGURIENSA-N	416.908	5.569	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	2053496557	BBFZIHYUMPIFCK-UHFFFAOYSA-N	407.322	5.710	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079977177	INHWLNIXFNELCV-HXUWFJFHSA-N	402.922	5.303	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CN)c2Br)C(C)(C)C)cc1C	2080033509	KIJHZOVBUNGPTM-SFHVURJKSA-N	422.411	5.360	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cc(Br)ccc2O)cc1	2089180884	CKRUTHXQLKDUML-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CC[C@H](NCc1scc(Br)c1Br)c1ccccc1O	2094177428	OHMFKPAIVLEHRQ-NSHDSACASA-N	405.155	5.220	10	10	HKCE	
CCNCc1ccc(N(C)Cc2sccc2Br)cc1Br	2156990004	SCYKEMGCCCNXLD-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
C[C@@H](NC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1	2297327735	HDLBYRNZZOZVLE-QGZVFWFLSA-N	424.529	5.282	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(O)c1	2321601560	QZVSZUDOMXAEEN-UHFFFAOYSA-N	419.527	5.377	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1	2321703764	PCABBZKMWNKYAV-UHFFFAOYSA-N	421.946	5.920	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C=Cc3cccc(Br)c3)cc2)cc1	2329597726	POGCBSCLOUSBDM-UHFFFAOYSA-N	409.283	5.476	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103848	DQQAYTOUPAKYRO-UHFFFAOYSA-N	424.125	5.952	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)cc1OCC	2332106738	AXWOIUWVIRVDJC-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	2332114786	PYTJNHRFSMWBHR-UHFFFAOYSA-N	410.517	6.008	10	10	HKCE	
O=C1N=C(c2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1	3183093	XSRVODSZKSKUKT-PDGQHHTCSA-N	410.292	5.770	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1O)N2	14460030	IZIWGHBOBYKAOB-HKZYLEAXSA-N	412.917	5.619	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476421	XWZBUDMFAPGAEH-OUDXUNEISA-N	401.937	7.054	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14545797	IVMKSLXDIQZBOI-LZCXECNNSA-N	416.565	5.928	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546724	UPNJKNLWFMMHKR-PJSUUKDQSA-N	423.365	5.070	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	14550060	JNBAAVGOJHPOBJ-OBTVHEKISA-N	412.508	6.224	10	10	HKCE	
Cn1cc(/C=C2/SC(Nc3cccc(Br)c3)=NC2=O)c2ccccc21	34696981	PEGQCINJGMQNPU-RQZCQDPDSA-N	412.312	5.023	10	10	HKCE	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1	40867565	CEHRLCHZQHGRLZ-NDENLUEZSA-N	407.516	5.263	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)c(Cl)c3)c3ccccc3)c(O)c2n1	54621843	ONMARWWFLNTEFG-NRFANRHFSA-N	409.316	6.757	10	10	HKCE	
COc1ccc(N2C(=N)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	59639044	SKPKMKMLZQJOTG-ZKPZWDPRSA-N	421.497	5.298	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc12	100147781	USGXCFTVGVEHDD-ITYLOYPMSA-N	418.496	6.225	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	101431356	HRFUIPSMDKAWJO-LHXZVXGCSA-N	423.472	5.793	10	10	HKCE	
COc1ccc(NC(C)=O)cc1NC(=O)/C=C\c1cc(C)n(-c2ccc(C)cc2)c1C	206056528	UBFBBQGCUOOFJG-JYRVWZFOSA-N	417.509	5.021	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(O)c1	226782132	VLYIOAKHORVGNP-YZIHRLCOSA-N	413.517	5.936	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2)c1ccccc1	226860234	ZITVMAIPGGQKOB-LOYIFYEOSA-N	424.544	6.188	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNCC1(CCOCc2ccccc2)CC1	708204126	KHGKCLCVLGMOTO-UHFFFAOYSA-N	424.766	5.285	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)ccc1OC	1858586498	OILJYFPKNYFXED-XMHGGMMESA-N	405.585	5.408	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(Cl)cc4C)C3=O)c2c1	1860073500	KXKJAYKDVWRNIY-QGMBQPNBSA-N	414.939	5.544	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1	1860076534	HYYWMSNXOZJPTE-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086186	PCBFBRYXDJHLGR-QGOAFFKASA-N	400.956	5.346	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865658822	SVBZTTRVHAODQR-NBVRZTHBSA-N	412.936	6.359	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2034747088	MVWREVSADQBBJL-OAHLLOKOSA-N	411.334	5.781	10	10	HKCE	
Cc1ccc(O)c(Cn2nc(C3CCC3)c(C(C)(C)C)c2I)c1	2079798339	BJSYALXDNOUANO-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1C1CCCCC1	2296453373	XLPQXXDVABPJTO-UHFFFAOYSA-N	409.576	5.800	10	10	HKCE	
CCn1c(C=Cc2c(C)n(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O	2297469990	PIHGQGUQAUVODK-UHFFFAOYSA-N	419.528	5.898	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC	2297534791	UZIKEUJAFYGVJY-UHFFFAOYSA-N	413.564	5.194	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321607255	AKVRKKJHSVCEEE-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(C(F)(F)F)c1	2321609715	PRIZFTVNORVLGB-UHFFFAOYSA-N	416.427	5.081	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125651	YZYOQKUKGKMAIG-UHFFFAOYSA-N	414.505	5.832	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	2332127592	MZFCQTMPDSJKHV-UHFFFAOYSA-N	410.901	5.679	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)C(c2ccccc2)=NN1Cc1ccccc1	2332147577	LWHIRIMQCHILKU-UHFFFAOYSA-N	417.306	5.279	10	10	HKCE	
Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12	4757619	SZQAJIFPRANXMX-RMKNXTFCSA-N	419.956	6.085	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21)c1ccccc1	14480309	ASOPNUKHULMGAI-JCYRPKCISA-N	408.545	6.488	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1	14550043	FTUYWBVCPDSSIG-PLXFJCCSSA-N	412.508	6.319	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	20764184	RAKGBKFUGGQGCQ-QPPBQGQZSA-N	424.903	5.806	10	10	HKCE	
Cc1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621419	VNMCOPJVGWQVME-NRFANRHFSA-N	400.438	5.062	10	10	HKCE	
COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	71815288	WWDCEQZFUBZPEL-MHZLTWQESA-N	411.501	5.392	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4c(F)cccc4Cl)c2c1N)CCCC3	96586970	OXJYNLRYIXHFMA-UHFFFAOYSA-N	404.894	5.394	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	226832596	NUTSASCGJZGAEB-KYTVRQNUSA-N	412.489	6.309	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226850539	WVRAUBKLINCTJG-LOYIFYEOSA-N	410.517	6.051	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226882689	HEHVSEUZAQVWIC-LOFUIXATSA-N	421.566	5.071	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226906023	DQGXQTXOJSKJAI-IWHLBADBSA-N	413.561	7.331	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)c1	1860084801	MKFFSQIWJRKBEB-CXUHLZMHSA-N	407.438	5.314	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086536	OQMFYOVYCMQPCQ-XSFVSMFZSA-N	404.516	5.542	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1	1860086905	OHSSQRCAKQCXNC-NTEUORMPSA-N	424.330	5.186	10	10	HKCE	
CCOc1ccc(CCN=NNc2cc(C(F)(F)F)ccc2Cl)cc1OCC	1860492254	KMXHLHXXOBXJIF-UHFFFAOYSA-N	415.843	6.178	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	1865679824	INDNZDSWDBZSMW-NTEUORMPSA-N	424.125	5.952	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CC)CCCOCc2ccccc2)cc1Br	2096846515	TWEBZEBBMLNBNH-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
CCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccccc3)cc2)SC1=S	2296700200	JIPPAEVWQVQEGO-UHFFFAOYSA-N	423.559	5.307	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S	2314539442	SODDJJGEVFXQAE-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321609654	SZIJTFQXLJUJGU-UHFFFAOYSA-N	424.330	5.170	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	2321683291	JHGGKQUGVIESKO-UHFFFAOYSA-N	424.591	5.337	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	2329937766	QWFXSFSWCCOOAU-UHFFFAOYSA-N	406.507	5.174	10	10	HKCE	
CCCCCCOc1ccc(N=NN2CCN(CC=Cc3ccccc3)CC2)cc1	2330221844	CKPFWNAYAFGKEC-UHFFFAOYSA-N	406.574	5.975	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332119616	WGTXWLWJOKYXKZ-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456246	QQOWMSFQDZADNJ-BPYKYCOYSA-N	414.574	6.454	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476320	NHBQZWSNVHRRKJ-NDDXJGTKSA-N	424.588	6.938	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2sccc2C)N3)c1	14553534	FIPGFEXYBLCIGW-MIZPHKNDSA-N	400.547	6.444	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(Br)cc1Br	36957029	CIRZJMWTYRDHCE-QMTHXVAHSA-N	411.137	5.886	10	10	HKCE	
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccccc1Cl	40867574	LORZSYIDZTYWIU-PDGQHHTCSA-N	424.934	5.039	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2ccccc2Br)c(Br)c1	110359339	NUZNCXRYTJBKSE-GFCCVEGCSA-N	412.169	5.128	10	10	HKCE	
Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859766107	RZRWOTFFWFAABU-UHFFFAOYSA-N	418.452	5.085	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	1860083917	FKLRCGPPJIBYCK-VCHYOVAHSA-N	403.956	5.625	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665759	KGUUIPTZEBJBFN-PCLIKHOPSA-N	410.517	5.451	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679578	UNHDWNIOFFXOMR-BUVRLJJBSA-N	416.908	5.721	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCCCCCC(=O)O)sc(C)c1-c1ccccc1	1866116441	GKUMFNQCABDNNG-UHFFFAOYSA-N	417.527	5.264	10	10	HKCE	
CCCOc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871104224	QMUKJOSFAPUVIH-UHFFFAOYSA-N	421.541	5.029	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025602	QPHCSOXEBFZKKL-GOSISDBHSA-N	419.363	5.468	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100222636	KMIAUYJSAAYOCH-GQWLDOHISA-N	417.391	5.289	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1	2297309367	YOLWIZWKHROFPY-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccc(F)cc1	2297578847	VICVVOCHALNZGJ-UHFFFAOYSA-N	412.294	5.174	10	10	HKCE	
CCN1c2cc(NC(C)=O)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C	4347702	NNFPJXDINMZRRM-INRROWENSA-N	409.490	6.081	10	10	HKCE	
CSc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1	6877912	IESNKQUDFZLCQJ-UHFFFAOYSA-N	404.579	5.359	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544311	GVVVYBGUVWTBBV-BNIKKZEQSA-N	412.533	5.815	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC	96557633	VGXIORRNIOYSOQ-YBEGLDIGSA-N	419.308	5.597	10	10	HKCE	
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(N)cc2)c(Br)c1	242695354	CXSWCTQMHAKSCI-UHFFFAOYSA-N	405.336	5.127	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2ccc(NCc3ccc(Br)cc3O)cc2C1	691392164	OVBPSDULVROAEE-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1cccc(F)c1	1865665609	CQTYUFLZUMKMKQ-AUWJEWJLSA-N	417.189	5.477	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccnc2)cc1	1865672600	FZJLBPNXINWZEX-XQNSMLJCSA-N	405.457	5.078	10	10	HKCE	
O=C1/C(=C\c2ccccn2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865672690	GLKBPOWDFQSSRA-AQTBWJFISA-N	408.288	5.219	10	10	HKCE	
C[C@H](c1cc(Br)c(Br)s1)N(C)Cc1ccc(N)cc1	2266533160	DOWZSLBFCBVAAN-SECBINFHSA-N	404.171	5.048	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl	2313681676	KRFREALACXIODZ-UHFFFAOYSA-N	418.324	5.891	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	2321698149	QOXOUBIWLKMIER-UHFFFAOYSA-N	410.564	5.091	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332104384	ZPMJKPGWPWXBQS-UHFFFAOYSA-N	418.777	5.981	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc1OC	2332124267	KSPHCYZWDJYQCH-UHFFFAOYSA-N	420.553	5.846	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457913	YQUDNNYFHOBFQQ-JKYVINEHSA-N	416.565	5.347	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1	14461939	NQHIGWZEHINEFD-HFMPRLQTSA-N	403.570	5.498	10	10	HKCE	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccccc1Cl	33457473	YAZBTUAVNQYFKP-AQTBWJFISA-N	419.868	5.254	10	10	HKCE	
CCCCC1(C)OC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)O1	59596540	OMAPULFIXIABIG-UHFFFAOYSA-N	414.885	5.309	10	10	HKCE	
COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1	104366224	ZVWBYHKNNYFADF-WDZFZDKYSA-N	415.537	5.440	10	10	HKCE	
Cc1cc2occ(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)c2c(C)c1Cl	256019519	NSVGAKGJFQXHNM-UHFFFAOYSA-N	417.896	7.300	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858590209	CCVIYOSNEJDTTR-UKTHLTGXSA-N	402.412	6.409	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1	1858590889	MYLQMDQIFYNGAW-RGVLZGJSSA-N	413.608	5.645	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1cccc2ccccc12	1865656362	GSUZTTZUYALNME-QJOMJCCJSA-N	408.888	6.328	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2C)sc(C)c1-c1ccc(C)cc1	1865977579	GCBSQNVQTLLKOX-UHFFFAOYSA-N	407.535	5.698	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3c[nH]c4c(ccc5ccccc54)c3=O)cc2)cc1	1866077071	CXYKXGIQUANJFO-UHFFFAOYSA-N	421.456	5.308	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2095953225	DMXPQFBPGIWBQX-SFHVURJKSA-N	417.435	6.388	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S	2297500284	XXSPNKCWWUQCDR-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C	1416348	AMKGFBCAIUEBNK-NDENLUEZSA-N	413.564	5.505	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21)c1ccccc1	14474680	ZRERZUZPDLUZLP-DFIYOIEZSA-N	410.517	5.885	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(OC)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20679056	OZGIEGSFSJTDEF-MVERNJQCSA-N	424.544	6.188	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20752179	FCLITVTXDGRTIV-ZVOVDXHFSA-N	412.533	5.902	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c1	54619842	MFBOPEDWZOVZLX-JOCHJYFZSA-N	413.477	5.022	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385478436	FQQQFNNZEGOBIX-GOSISDBHSA-N	415.419	6.000	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860075120	JBTIPEZVWDPCIH-VIZOYTHASA-N	414.766	6.361	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676700	LMYSKQIEFPZXIM-MFKUBSTISA-N	414.480	5.515	10	10	HKCE	
COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(C)c(C)c1	1866171938	CHMWUXIZTSMWGY-UHFFFAOYSA-N	415.461	5.657	10	10	HKCE	
CCc1nc2c(C)cccc2c(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c1C	1866273310	CWPJYSMSGFOXKA-UHFFFAOYSA-N	409.533	5.839	10	10	HKCE	
Cc1ccc(O)c([C@@H](C)n2ncc(C3CCCCC3)c2I)c1	2070311319	ZWDKZUAFRIXSPC-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2sccc2Br)cc1Br	2156989754	MOQARQKWVAQQEQ-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1ccc([C@@H](C)O)cc1Br	2186628905	QVISYSOZPLAFMP-VHSXEESVSA-N	419.182	5.524	10	10	HKCE	
CC[C@H](NCc1sc(C)cc1Br)c1cc(Br)ccc1O	2237680891	SUNWBTVROAUCHV-ZDUSSCGKSA-N	419.182	5.528	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)SC1=S	2297455007	QRWCXZYJZDLIOH-HNNXBMFYSA-N	417.571	6.503	10	10	HKCE	
CC(Nc1ccc(Cl)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682771	KKDIXHZAFGSBSL-UHFFFAOYSA-N	405.860	5.616	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl	2318756396	KSNVRCSHHZNNFA-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2321683266	ZFSVKESVBAWEKQ-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332107670	SPCWWMMKYNNUAV-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139766	PTIPJEPQOSIVFU-UHFFFAOYSA-N	406.869	5.404	10	10	HKCE	
Clc1ccc(-c2nc(-c3cccnc3)ncc2/N=N/c2ccccc2)c(Cl)c1	8857083	AOBKSXUVDPCRIB-BYYHNAKLSA-N	406.276	6.928	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461988	SNJRPHVIFBZNQP-IWVFXYMLSA-N	424.588	6.938	10	10	HKCE	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1	33926469	RGTUCMAZPAQGOE-DEDYPNTBSA-N	419.868	5.254	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226705774	PWHSJBPBOSXYPK-XFQAVAEZSA-N	416.315	5.006	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1N=Nc1c(C)cc(C)cc1C	252623688	OXHIJIMJUGOLAP-NRFANRHFSA-N	417.538	5.919	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccccc4Cl)C3=O)c2c1	1860076637	RNDPNZNZVCTMDD-CAOOACKPSA-N	400.912	5.236	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084588	VQVGFJKPUZGGDY-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OC)c1	1865665211	HLHGJAFGKZIJLX-CJLVFECKSA-N	412.489	5.470	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2034818510	OEDMJYPYNXSSIC-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2080030309	LBSOITXYERHHPT-GOSISDBHSA-N	420.937	5.114	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709034	RUKIFFCLZAWEGZ-UHFFFAOYSA-N	406.507	5.217	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc2ccccc12	2332099976	YHJLZFAMZSKPIX-UHFFFAOYSA-N	423.343	6.729	10	10	HKCE	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2SC2CCCCC2)SC1=S	2049281	RQDVHHXRQXMOFG-WJDWOHSUSA-N	408.570	5.241	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	5880827	MEIHFTWOUFKLEV-RJDXDPGKSA-N	414.292	6.815	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644186	MBTFNLYYTKMPNR-JCYRPKCISA-N	423.560	5.509	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1c(C)cc(C)cc1C)[C@H]1CC=C[C@H]21	14458078	TYAJLGVCGXSBFG-QVNIBDNGSA-N	404.554	5.205	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473181	RUIMFAJRYXIYMI-IUKKYPGJSA-N	412.917	6.500	10	10	HKCE	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c2C)cc1	35240058	RPRUOEQNNOUZFB-FACRBVSESA-N	404.539	5.385	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	39861659	SODDJJGEVFXQAE-DHDCSXOGSA-N	424.330	5.186	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1	59391270	ZYPAKSUGRGYQGG-UHFFFAOYSA-N	414.461	5.097	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=S	97411131	QRWCXZYJZDLIOH-CTFRJJSNSA-N	417.571	6.503	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226888507	WXOPBCXNEVXXMO-RZIGYZOXSA-N	424.544	6.093	10	10	HKCE	
CN1/C(=C/c2sc3cc(F)ccc3[n+]2C)Sc2cc(-c3ccccc3)ccc21	1614379625	JPNWCVTVXOXTLB-UHFFFAOYSA-N	405.543	6.072	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(CCC2=CCCCC2)C1=O	1858590771	ICHGBVRDOOPFML-MHWRWJLKSA-N	403.598	5.104	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1C	1860074923	ALNUIFIJFKUTAN-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc(OC(F)(F)F)c1	1860087507	CAGQPPDQSXGLDT-RIYZIHGNSA-N	415.845	5.644	10	10	HKCE	
CC(C)(C)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O	1873916948	IHOWPIFKAHXFKB-UHFFFAOYSA-N	422.484	5.265	10	10	HKCE	
CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1874705442	MCUNNZNVHRDBEL-GOSISDBHSA-N	404.510	5.610	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)s1	1891551055	QAUWYFIMYPIZAS-UHFFFAOYSA-N	405.353	5.288	10	10	HKCE	
CCCOc1c(C=C2SC(=S)N(Cc3cccs3)C2=O)cccc1OCC	2040483907	MMGBXIFVCZNQCY-UHFFFAOYSA-N	419.593	5.337	10	10	HKCE	
CC[C@H](Nc1cnc(C)c(Br)c1)c1cc(Br)ccc1O	2148881739	UNLPQPMREBLFOT-AWEZNQCLSA-N	400.114	5.184	10	10	HKCE	
C[C@@H](Nc1ccc(Cl)c(I)c1Cl)c1c(O)cccc1O	2150346473	CUHJGYSDPVVLJE-SSDOTTSWSA-N	424.065	5.182	10	10	HKCE	
CC[C@H](N[C@@H](C)c1cc(Br)cs1)c1cc(Br)ccc1O	2177666782	ZOBYJLRFZJOZDW-ZANVPECISA-N	419.182	5.781	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cc1Cl	2180956773	LEXFCBPPGXLTKM-LLVKDONJSA-N	414.293	5.255	10	10	HKCE	
CSc1ncc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C2)s1	2284687729	HPYGPWCOPFSMIK-OAHLLOKOSA-N	411.637	5.057	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3F)C2=O)c(OCC)c1	2297357559	ORVLGKWFCNREAT-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F	2313681369	CNIMEMSSBAUVFK-UHFFFAOYSA-N	403.404	5.474	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	2321672157	WARWZFRWRPUHAL-UHFFFAOYSA-N	411.495	5.833	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1	2321717806	HMOJEHSESYIIOA-UHFFFAOYSA-N	415.511	5.188	10	10	HKCE	
Cc1cc(CN(C)Cc2ccc(C)c(Br)c2O)sc1Br	2381148030	WDPOSMINIKXUKJ-UHFFFAOYSA-N	419.182	5.228	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Br)c2O)c(F)c1Br	2381166194	TWLCGNVSUXALBT-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1	6782106	KQUCTIPQQLVYJA-LJQANCHMSA-N	402.538	5.035	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14546330	YHEIMPLLSGFHEM-BERHBOFZSA-N	403.566	6.871	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14546409	ORVHEXYGBUMFDL-WZOHSFFVSA-N	402.538	5.538	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552244	UCLLKRXRFRDAAH-JKSBSHDWSA-N	412.986	6.627	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	19892890	KHBJOGOGWCPFRV-FHAGJXEFSA-N	411.501	5.879	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@@H]2C=CC[C@H]21	20752238	PEINXZXFRYNTRD-RPIQLJIUSA-N	413.517	5.930	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1	102580632	LGCHYHUSMYXBRK-RCCKNPSSSA-N	415.880	5.290	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(C)C)cc2)N3)CC1	226708079	OHEHMBRGDULWOP-ONBPZOJHSA-N	414.593	6.509	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(N2CCCCC2)cc1	1860085409	JCHMZVMPCLJMPZ-XDHOZWIPSA-N	416.518	5.361	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	1865669594	QIBZMTQRCXKXHF-SILNSSARSA-N	402.881	5.573	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679438	NJVQRCGSTLCPBQ-BUVRLJJBSA-N	400.453	5.206	10	10	HKCE	
CCc1ccc(NCc2cc(Cl)cc(Br)c2O)c(Br)c1	2151689513	JUVQDOVPJLATKO-UHFFFAOYSA-N	419.544	5.745	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1OCC	2297535085	SSCHALCLZHLRSP-UHFFFAOYSA-N	413.564	5.276	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	2321672377	ATHBMHPIWFIRCP-UHFFFAOYSA-N	418.543	5.845	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	2321706247	DMWXSKBFSMZURT-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	2321734197	WPJGJOPUFXZLHR-UHFFFAOYSA-N	409.454	5.553	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N(C)C)cc1	2332096582	WTHSSHHDBVFDST-UHFFFAOYSA-N	412.331	5.101	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3c[nH]c4ccccc34)C2=O)c1	2332128266	XVGIIWRMFISBHK-UHFFFAOYSA-N	405.501	5.615	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3cn(C)c4ccccc34)C2=O)c1	2332128797	DQLPRLDVRZICRR-UHFFFAOYSA-N	411.427	5.139	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3c(C)cccc3C)[C@@H](C)CC)ccc21	3585174	SEOBHRADMTVHJM-NRFANRHFSA-N	423.670	6.464	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459380	PHTXWGUVEIPTHO-GTQRCTGISA-N	412.917	5.619	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477855	WNHQSMTWYGVZGH-GCKMJXCFSA-N	415.364	6.348	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750387	HVCFLPMDYSBMFM-DDVAMESESA-N	415.364	6.350	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21)N1CCCCCC1	226679149	DJEUISVAOJAKFO-ZRCGQRJVSA-N	406.957	6.183	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2	380520592	BNDLDULNFGNSLK-GCJKJVERSA-N	405.369	5.091	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526180871	XMXVUJISZWLWRV-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
CN(Cc1ccccc1)C1(CNCc2c(O)cccc2Br)CCCCC1	714224738	XSEGCMSQAAXJCY-UHFFFAOYSA-N	417.391	5.079	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1	1860084004	KCIHHKNODWNYEZ-CXUHLZMHSA-N	402.522	5.031	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1	1860824923	CNAVJEPCLHNIMB-LDADJPATSA-N	411.548	5.084	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc1	1865668297	QEVYILQMLSSNBK-XQNSMLJCSA-N	406.526	5.160	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678657	XASANKLIAGFFRU-PXLXIMEGSA-N	402.881	5.492	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc([C@@H](C)O)cc1Br	1914857402	NEUCQXQXXFKWAQ-JKSUJKDBSA-N	416.384	6.332	10	10	HKCE	
CCN[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977946841	YEVQPBIXWQHEPB-HSZRJFAPSA-N	411.590	5.231	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCOCC2)cc1Br	2095835723	IMIQBRUJEUXBQX-KRWDZBQOSA-N	417.391	5.163	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Cl)cc(Cl)c3O)CCC[C@@H]12	2154577440	RWEIREAMXRQUMT-UZLBHIALSA-N	415.361	5.111	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](NC(=O)OC(C)(C)C)c1ccco1	2172878922	XWZRJAFWDMFDFD-ZBEGNZNMSA-N	415.317	5.036	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1ccc([C@@H](C)N)cc1Br	2186592231	PMQKHVMNMRVGCH-ZJUUUORDSA-N	418.198	5.490	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1	2313681686	KWYFVKBWXKHIDC-UHFFFAOYSA-N	424.529	6.072	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c1OC	2318756761	SHCMSDUFGJVTLI-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc2c(c1)OCO2	2321611093	FWZUAYKURIGANK-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)ccc1[N+](=O)[O-]	2321742537	UHOJOUSUBVHEBU-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(c2ccccc2)=NN1c1cccc2ccccc12	2332129535	MSWDFDNTQOWMNM-UHFFFAOYSA-N	410.423	5.953	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134064	GFQVHFHDMVVVAM-UHFFFAOYSA-N	416.864	5.365	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14460770	SUQCYJHRKGZEFV-DRSNIGMVSA-N	413.359	5.827	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	14550971	PQGZXNAYVHCZBG-PLXFJCCSSA-N	412.489	6.043	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	19892819	CKNWVHCRDLOQQJ-MDZRGWNJSA-N	403.263	5.126	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20717955	ATFWECHJNPROHC-SKVJQKLOSA-N	417.593	7.261	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1	54620441	FDXJDMFMOTYHCI-JOCHJYFZSA-N	413.477	5.102	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)s1	226683983	IGBPPNUNCNMZCU-VAXXYWNWSA-N	406.595	6.288	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)s1	251222064	IGBPPNUNCNMZCU-MFSJNOQSSA-N	406.595	6.288	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccccc1OCc1ccccc1	708073499	PVDHWHLQQHYNPN-UHFFFAOYSA-N	418.718	5.999	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1	1084038982	SREOINSKWOXWRF-DEDYPNTBSA-N	413.564	5.451	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1	1860074954	BQGHBTIHAXWKPU-LICLKQGHSA-N	405.928	5.153	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086223	RCHALXHBRHCQBP-LDADJPATSA-N	416.955	5.052	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cl	1865664859	ODWBFSRPOSNYJD-FOWTUZBSSA-N	403.707	5.689	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2CCC)cc1	1865670308	SRUSFEINUWIEEO-HAVVHWLPSA-N	424.972	6.491	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	1865670335	UYYKORKIWFMQIN-KQWNVCNZSA-N	416.908	5.569	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(F)F)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079063184	CUFUFPFOGXVDOW-CQSZACIVSA-N	401.251	5.045	10	10	HKCE	
CCCN1N=C(CC)C(=Cc2ccc(OCc3ccccc3C)c(OCC)c2)C1=O	2332133701	PMGJVTSVHVBXLJ-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cc(C)cc(C)c3)[C@H](C)CC)ccc21	3585616	IVUWOAVFIKBKCR-OAQYLSRUSA-N	423.670	6.464	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1O	14460071	LIJIROSYVXXDRU-XLNZFTOWSA-N	418.537	5.244	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14475716	RZTATADRIUJLOK-AXHZCLLHSA-N	400.434	5.919	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549042	JXXWIOYNNSLFEY-ISJBWFOZSA-N	416.351	8.126	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549190	XAEGNUSYYHQMKQ-VMODYCNZSA-N	405.497	6.606	10	10	HKCE	
COc1cccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550505	UVMCKCDLPVBDBU-CLCZQPDDSA-N	411.545	6.533	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21)N1CCCCC1	20751929	SVSHSLAUPPJOCG-ZIHSNCGMSA-N	424.544	5.998	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccc(C(C)(C)C)cc4)c2c1N)CCCC3	96586949	GHPROGDGSAMHJI-UHFFFAOYSA-N	408.567	5.899	10	10	HKCE	
CC[C@@H](Nc1cc(Br)ccc1Cl)c1cc(Br)ccc1O	109959577	OFKFZZHOHHZSAW-CYBMUJFWSA-N	419.544	6.134	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226726628	NJUKCGDGRJZKFF-FXKZBUDASA-N	408.929	5.075	10	10	HKCE	
COc1ccc(-c2nn(-c3ccccc3)cc2N=Nc2c(O)ccc3ccccc23)cc1	254493259	OEJQQYACTBMIRJ-UHFFFAOYSA-N	420.472	6.822	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526305333	YZDXWRQYVVZGAT-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
Cc1c(NCc2ccc(Br)cc2O)cccc1NC(=O)OC(C)(C)C	702735717	KKSWRDDXQYURQE-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C\c1ccc(N(C)C)cc1	1084146934	UZGVMJTZLSHECX-BFMVMMETSA-N	411.549	5.744	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)s1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891828	NTSTZDFJPQAABH-UHFFFAOYSA-N	409.894	5.232	10	10	HKCE	
COc1cc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(OC)cc1Cl	1860084064	BTEWQJMXEOBHHV-CAOOACKPSA-N	405.928	5.071	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860084244	RYQKNJPRDLBRPO-VCHYOVAHSA-N	414.508	5.096	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	1860086361	BPALHMBTOZHMGM-YBFXNURJSA-N	411.935	5.908	10	10	HKCE	
COc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)ccc1OCc1ccccc1	1865665352	OTMIYVKSIWTHBW-HZHRSRAPSA-N	412.489	5.076	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1OC	1865669449	OQQQSHNYNDOUOO-RVDMUPIBSA-N	416.880	5.078	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C)c1-c1ccc(C)c(C)c1	1866034833	SMCLHOROHJBGCM-UHFFFAOYSA-N	419.502	6.125	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)c(Cl)s1	1890762441	PAIPVVBLGQANJX-UHFFFAOYSA-N	409.316	5.118	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2223536144	XGEHOKLNMFLPNA-OAHLLOKOSA-N	411.334	5.609	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=C2C(=O)N(CCC)c3ccccc32)SC1=S	2296537599	ZRBAVBMRZWUQNB-OAHLLOKOSA-N	416.612	5.231	10	10	HKCE	
O=C1C(=Cc2cc(Cl)cc(Cl)c2O)SC(=S)N1c1cccc(Cl)c1	2297242760	MAGQNGROLUFUQH-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccccc3CC)C2=O)cc1OC	2321569913	NVOQCZUXZFBEBM-UHFFFAOYSA-N	413.564	5.452	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2321609760	LYQJBLZTPVOPTL-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCCCC1	2323739632	BDEBGXIGWCDJOC-UHFFFAOYSA-N	423.603	6.190	10	10	HKCE	
CCCOc1c(Br)cc(C=C2C(=O)N(CCC)N=C2CCC)cc1OC	2332114069	PDTPPHFGWYISJO-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2CC)cc1OC	2332124591	SKTAHCIFCKWEQT-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140807	LFRZVYRNCCRKEK-UHFFFAOYSA-N	409.205	5.274	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3ccc(OC)cc3)sc3c2CCC3)cc1	3065974	UESQFEFYVOZIBZ-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@H]4C=CC[C@H]43)ccc21	13642361	XWDAWWRXHGXLOY-ASHZAFPQSA-N	423.516	6.858	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548127	DQGXQTXOJSKJAI-SXDGJLEOSA-N	413.561	7.331	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548290	JNSAZSCBQBWQFO-IPVFLDMMSA-N	412.533	5.902	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	20710481	NHHMHFVAOQMJHW-GGUMNFRJSA-N	414.461	5.706	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C	59396898	XCQAQTBCTMGYNT-WQRHYEAKSA-N	419.955	5.542	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	210165368	IBVCZQPLXQBVHD-DEDYPNTBSA-N	404.516	5.204	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526444965	AXGDCGCRCLQXEH-JOCHJYFZSA-N	420.534	5.188	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860083913	FGKLQKNRQJACHL-CXUHLZMHSA-N	410.347	5.798	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1CCc1nc2ccccc2[nH]1	1860086734	DIONUQAJALMKEW-XSFVSMFZSA-N	415.543	5.160	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1	1865675080	NRDDOJHAXAJGLC-XQNSMLJCSA-N	416.908	5.746	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1	1865866305	OVEMSBWIKUTTEE-NRFANRHFSA-N	420.384	5.016	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C2CCSCC2)sc(C)c1-c1ccc(C)cc1	1866194825	FABUODYDBUMNHW-UHFFFAOYSA-N	401.553	5.210	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2C)cc1	1874758435	VKMRYCRQKHXMBV-UHFFFAOYSA-N	407.728	6.615	10	10	HKCE	
Cc1ccc(-c2ccc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)cc1	1891704250	QMPGZPKYACVCBY-UHFFFAOYSA-N	424.522	5.725	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	2053513883	ZBALHOCGKTYSMW-UHFFFAOYSA-N	407.322	5.710	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)F)c(CO)c2Br)C(C)(C)C)cc1C	2079847162	OOHBUPFRIZVBHD-HNNXBMFYSA-N	417.294	5.033	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2095844299	ZTSVTAGSDUQVRW-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)cc1Br	2095868249	LHBRMZOZWUPHBU-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Br	2095877575	NHDBMYZQVTTZCG-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C1CCCCC1	2296453258	DIIVAZCRTXWVKP-UHFFFAOYSA-N	414.508	5.389	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1	2297560195	YAROESHJBVEIGA-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(C)ccc3OC)C2=O)cc1	2321721373	QFRWIBUIISEGDK-UHFFFAOYSA-N	412.580	5.256	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(CCc3ccc(F)cc3)C2=O)c1	2323864641	BBLQWWNQRQRDKY-UHFFFAOYSA-N	401.528	5.058	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C)cc1OC	2332124488	HHJQSDFHSCRBDP-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc1OC	2332125587	RYAQDOVHUYCVRK-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1OC	2332143703	ZRVWBVHCMUXAFG-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
Cc1ccc(CNc2c(C)ccc(Br)c2F)c(O)c1Br	2380744656	LGWAECRKQXBPBW-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1O)N2	14460061	GGRSHPYFDGKGEG-XLNZFTOWSA-N	420.553	5.490	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14460566	CSWWPAXILKNZPF-SGIRGMQISA-N	417.936	6.624	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546460	WXOPBCXNEVXXMO-TYPXCFOJSA-N	424.544	6.093	10	10	HKCE	
C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	15045340	VYYJAIMUGHROQF-ATPAHOSSSA-N	424.591	5.213	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccc(C)c2)[C@@H]2CC=C[C@@H]32)cc1	20716591	VDAQZOPZRCPGFG-JQYIIUTOSA-N	424.544	6.473	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21)c1ccccc1	20753154	RWGVGDJHGGLJTA-WXVUKLJWSA-N	400.547	6.241	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2	20769327	UWPLZTLOVSSOLQ-FKCDAAJZSA-N	423.560	6.140	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1	59396754	QMRWLDJLRDJYII-AQTBWJFISA-N	414.508	5.180	10	10	HKCE	
CCCCCN(CCCCC)c1ccc(/C=C/c2ccnc3ccccc23)c(C)c1	90441094	LGDFSOXIRAWTDF-CCEZHUSRSA-N	400.610	7.900	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226893510	JIAFZMKDIOGCBV-CWHUZLPRSA-N	418.540	7.168	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	250219810	RLEPVHWGFAXGLL-PSHVLCQKSA-N	408.929	5.075	10	10	HKCE	
CC(C)(C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1Br	384154881	ZDCOGLIDLOVRFL-HXUWFJFHSA-N	417.391	5.133	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)SC1=S	1858590641	CCCUXSVEGUZTET-AWZALFRUSA-N	421.628	6.044	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cccc(F)c4)ccc3[nH]2)cc1	1872733522	KDHUBRFKJSRQIC-UHFFFAOYSA-N	402.473	5.468	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)C)c(Br)c1	2034705064	QIUGGGWLUFPUJM-GOSISDBHSA-N	403.408	6.172	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2080024819	LAXWBRNFZXBBNP-LJQANCHMSA-N	420.937	5.330	10	10	HKCE	
CN1C(=O)C(=Cc2cccc(OCCCOc3ccccc3Cl)c2)SC1=S	2297347297	SGHKRQNIWLNLAX-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CC1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1	2297469332	GWWLJUVNUYUKRW-UHFFFAOYSA-N	421.349	5.956	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	2332141117	IRPFVWPJTZYPBU-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCCC2	2909455	HHDXKOIIVWXOEM-UHFFFAOYSA-N	412.580	5.870	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@H]21	14544239	DPZXAUGVJRXORF-AJFLCOCNSA-N	424.544	5.911	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCCC(C)C)cc2[C@H]2C=CC[C@@H]21	14544339	IMRCHIZSMSARRT-UXWDXCIHSA-N	413.561	7.100	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	20748571	FVAWLYDWWOVSCS-UMEGOILYSA-N	416.565	5.974	10	10	HKCE	
CCn1c(/C=C\c2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O	33405917	GGHOSSOPZCJVCM-MSUUIHNZSA-N	405.501	5.590	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620156	BGNALJLDGCNSQY-HSZRJFAPSA-N	404.535	6.382	10	10	HKCE	
O=S(=O)(c1ccc(Nc2ccc(N=Nc3ccccc3)cc2)nc1)N1CCCC1	96319508	IYRZZAWCAUDTNA-UHFFFAOYSA-N	407.499	5.025	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S	208282107	UBGQXEGZMFKARG-QGOAFFKASA-N	411.596	5.001	10	10	HKCE	
Nc1ccc(N(C(=O)NCCc2ccc(Br)cc2)c2ccccc2)cc1	217549717	RPUWGYWRKBWMPS-UHFFFAOYSA-N	410.315	5.122	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226788820	BULJZNHXBQVDIY-OTNCWRBYSA-N	414.936	6.727	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C)c1)N2	226858626	QPSZXAKZBUHQEO-OTNCWRBYSA-N	424.610	5.632	10	10	HKCE	
Oc1ccc(Br)cc1CNc1c(Cl)cc(F)cc1Br	236617179	WITUXAPUWNKZDF-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cc(N=Nc2ccccc2[N+](=O)[O-])c(N)c(N=Nc2ccccc2[N+](=O)[O-])c1N	252629751	UMXYZMXCERLUMP-UHFFFAOYSA-N	420.389	5.807	10	10	HKCE	
CN(C)c1ccc(Nc2ccc3ccccc3c2N=Nc2nc3ccccc3n2C)cc1	254313533	ZVLTXVDZARCTQX-UHFFFAOYSA-N	420.520	6.952	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccccc1Cl	254869740	HPGRDASDRANFGR-DHZHZOJOSA-N	415.107	6.019	10	10	HKCE	
COc1cc(NCc2c(O)cccc2Br)ccc1NC(=O)OC(C)(C)C	706809938	SJYLUQUEEYADQH-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S	1860084035	MAVVNTCPMQSOFZ-HMMYKYKNSA-N	412.580	5.337	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)ccc1F	1860086717	CMYLSNOFYRZMQU-VCHYOVAHSA-N	415.511	5.105	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1c1cccc2ccccc12	1865664275	JBAHJEBEXNDABQ-OOAXWGSJSA-N	424.503	6.828	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	2296706763	PGVVABTZTDYFJI-CYBMUJFWSA-N	405.629	5.987	10	10	HKCE	
COc1ccccc1C=CC(=C1C(=O)N(c2ccccc2)N=C1C)c1ccc(C)cc1	2297313744	IVZDVNROUSBGJQ-UHFFFAOYSA-N	408.501	5.893	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Br)cc1	2297319285	UYWWLCSQYSVLAB-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CSc1ccc(C=C2SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1	2297578304	OFHDXWDNRKMDBA-UHFFFAOYSA-N	404.944	5.476	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2O)C(c2ccccc2)=NN1c1cccc2ccccc12	2332096169	WKWQSQWAHAXBNQ-UHFFFAOYSA-N	406.441	5.086	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332104327	WAWCIZWARVGBCA-UHFFFAOYSA-N	406.835	5.808	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2C(F)(F)F)cc1OCC	2332114006	IJVLTMNGMOOCPS-UHFFFAOYSA-N	412.452	5.208	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1	6395021	PIGDSVGFADCIHR-LRDZBDLTSA-N	415.559	5.742	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)ccc21	13642430	WFNYOCOVEJVKEX-LPOPLRKUSA-N	423.516	6.858	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14462142	GOZRBABEZGTATK-SGIRGMQISA-N	406.570	5.775	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476406	NUTSASCGJZGAEB-DYLHXGEVSA-N	412.489	6.309	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477680	DPABWWOQBXTGAH-YDIMBITNSA-N	416.392	7.779	10	10	HKCE	
Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	16926425	LGIMOQNNQJIMLL-SDXDJHTJSA-N	405.585	5.402	10	10	HKCE	
COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O	20070829	YWGRYVMRUYWRCD-WZONZLPQSA-N	422.868	5.002	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53363873	FHYDLGVQWMMFAM-REWPJTCUSA-N	410.876	5.416	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)cc1)CC[C@@H](C)C2	169680978	HULANHNBNWIAED-NJDAHSKKSA-N	421.629	5.293	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)OC)cc4[C@@H]4C=CC[C@@H]43)ccc21	226647977	SIKQHTCFIBXJGO-NUANOYTQSA-N	422.528	6.428	10	10	HKCE	
CCOc1ccccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860483848	MBFPXLKULPWYKT-CYYJNZCTSA-N	400.526	5.491	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OC	1865669714	VRUWHKSAWRZDON-OQKWZONESA-N	420.553	6.159	10	10	HKCE	
Cc1cc(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)ccc1C(C)C	1872831184	FCVIYWMBNDJDQE-UHFFFAOYSA-N	402.538	6.016	10	10	HKCE	
CC[C@H](NC1CC(COCc2ccccc2)C1)c1cc(Br)ccc1O	2031751965	JXBNTYZXMQYHJN-NLPFYKDJSA-N	404.348	5.191	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2034819091	BRZNUNPHCLKOKF-ZWKOTPCHSA-N	403.408	6.171	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@@H](C)O)c(Br)c2)sc1Br	2202297744	VGHOHFQLWKZZLD-SNVBAGLBSA-N	419.182	5.271	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1	2293152786	RASXAHPXVOTVRS-UHFFFAOYSA-N	407.472	5.051	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	2296007825	PHXYGSZQUDUMKL-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
O=C1SC(=Cc2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl	2297560680	XVXMSPRQKZDLJI-UHFFFAOYSA-N	416.905	5.316	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1	2313681793	NMYMQQQGFCBQIJ-UHFFFAOYSA-N	413.974	5.499	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	2321664211	FYNFKLROKFLSGT-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OCC	2332106763	CURYLUPXGHMAKB-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCc2ccccc2C)c(OCC)c1	2332133774	ZHXRUUHWHGCOHZ-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Br)c2O)c(Br)c1C	2361763909	BHYIQVVDWZVOJU-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	1824327	TWSAWMFWGIVGAX-ABYSCFCFSA-N	406.359	6.346	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3cccc(OC)c3)C3CCCC3)ccc21	3586057	DDAIYLFOGUAINV-UHFFFAOYSA-N	423.626	5.609	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460361	CFULCRHVMYOVCX-SXWKCWPCSA-N	406.957	6.229	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460842	WZEGWDMTXKMIGU-QUJCMNEKSA-N	401.260	5.198	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21)c1ccccc1	14474682	ZRERZUZPDLUZLP-WZOHSFFVSA-N	410.517	5.885	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550656	YSRRZNWAXAEHME-QONNDPFASA-N	424.544	6.093	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703189	XWCAEOWALJZDIE-JQYIIUTOSA-N	412.489	6.309	10	10	HKCE	
CCCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc(C)cc3C)C(=O)N=C2S1	32964205	RDOKYKFZFITETM-UQIYEGRLSA-N	419.554	5.294	10	10	HKCE	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC	33337778	VWBBHIJMRFHHAD-MFOYZWKCSA-N	423.918	5.292	10	10	HKCE	
CCCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	38642744	QKDUNCDRJHXXEA-RUZDIDTESA-N	424.585	5.143	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362848	KQQKEJJUJBXMPM-FYYLOGMGSA-N	411.332	6.230	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363221	DUZDJHPOKCPIRF-ZEQKJWHPSA-N	418.512	5.715	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(SCc4ccccc4)o3)SC2=S)cc1	96482047	XWKHFYSPNXXWBH-CPNJWEJPSA-N	423.584	6.286	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1cccc2ccccc12	113836107	RIZDUIMIUVZNOV-LDADJPATSA-N	415.461	6.264	10	10	HKCE	
Cc1cc2c(n1-c1c(Br)cc(Cl)cc1Br)CCCC2=O	379669683	FAVQCTAXTWSIKE-UHFFFAOYSA-N	417.528	5.483	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2cc(NCc3cc(Cl)cc(Cl)c3O)ccc21	379937063	MUWCTNKFPJMKGM-UHFFFAOYSA-N	409.313	5.609	10	10	HKCE	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2cc(Br)ccc2O)c1	398723547	IRJJTBPUGNAQKJ-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1	526240347	DRGALRWZAYGLDH-JOCHJYFZSA-N	421.518	5.559	10	10	HKCE	
CC1(C)CC[C@H](CNCc2cc(Cl)cc(Cl)c2O)N(C(=O)OC(C)(C)C)C1	687002071	HNBBBTPRBDLAQU-OAHLLOKOSA-N	417.377	5.214	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)cc1	1860084907	XDNJVWRHAVZHHV-RGVLZGJSSA-N	408.548	5.155	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1cc(F)ccc1F	1860087211	HYNAZIJMZRFCIV-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678232	AMQLLUFWMCBOIX-PXLXIMEGSA-N	416.908	5.487	10	10	HKCE	
CC(C)c1nn(Cc2cc(Br)ccc2O)c(Br)c1C(C)C	2079698710	VANYCEWPCWQPQL-UHFFFAOYSA-N	416.157	5.409	10	10	HKCE	
CC[C@H](N[C@H](C)c1cc(Br)cs1)c1cc(Br)ccc1O	2177666780	ZOBYJLRFZJOZDW-RNCFNFMXSA-N	419.182	5.781	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	2231479289	ZEFWHSSYXMAPKW-MSOLQXFVSA-N	415.419	6.142	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC2CCCCCC2)cc1	2313683028	PUYDVNRODDEJET-UHFFFAOYSA-N	403.526	5.033	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	13643490	JLINHHBPCIZGGA-ZWOKBUDYSA-N	416.306	5.184	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469492	RREJBUYWDSIKMV-QQNWGBJXSA-N	424.544	6.075	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469595	NOIHVSWYEMCGSL-VVZHRXSXSA-N	412.489	6.309	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477236	PDEJQYFIHQBOFG-VFCRVFHLSA-N	415.364	6.350	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477237	PDEJQYFIHQBOFG-ZSDSOXJFSA-N	415.364	6.350	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14544803	GMSKQEITZNDWNU-JTUHZDRVSA-N	421.566	5.071	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	14545146	YWHHCIAGUJEUCH-HEKZAOSPSA-N	411.549	6.011	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc([N+](=O)[O-])cc3C)c3cccs3)c(O)c2n1	54621805	LKOMTPVLSQRRLD-OAQYLSRUSA-N	405.479	5.728	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226685001	AYJDDMJPUYMTDE-ZCVJKFOLSA-N	414.574	6.155	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(C)C)cccc4[C@@H]4C=CC[C@@H]43)ccc21	226687844	LPMYPXDNGFXUAG-CNISOWAESA-N	406.573	7.764	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(F)c1	1860074729	HLQQEJHRLRYPDR-FYJGNVAPSA-N	421.518	5.811	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)c1	1860085206	VWUMKTMPDWOASQ-CPNJWEJPSA-N	413.564	5.407	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	1860085790	JFDOSFNHMCPBOR-NTUHNPAUSA-N	411.291	5.307	10	10	HKCE	
Clc1cccc(N2CCN(/N=N/c3ccc(OCc4ccccc4)cc3)CC2)c1	1860485548	NXSLTQRAMRBPTI-OCEACIFDSA-N	406.917	5.740	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677635	VBPMWZDWXRMHEX-JJIBRWJFSA-N	422.459	5.822	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1OC	1865677703	YGMQMONDCUMONU-MOSHPQCFSA-N	418.880	5.192	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678778	DEAIDLMAOZNDAG-OVCLIPMQSA-N	413.226	5.814	10	10	HKCE	
C[C@H](Nc1ccc(Cl)c(I)c1Cl)c1ccccc1O	2093950114	ZHKRWMNVARPJJN-QMMMGPOBSA-N	408.066	5.477	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Cl)c(I)c1Cl)CCC[C@H]2O	2150347951	JDYOHQXASKMSQG-CYBMUJFWSA-N	422.093	5.067	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl	2293934548	LUCWRTJVQQFSBY-UHFFFAOYSA-N	405.241	5.010	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1	2297456047	PNDHOBDBALMAMP-UHFFFAOYSA-N	412.489	5.470	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=CC2=Cc3cccc(OC)c3OC2)SC1=S	2314450849	XZLBMJZCCPVABV-HNNXBMFYSA-N	417.596	5.432	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)c1ccccc1	14475630	BLPWFWIWFNVEFA-VBOOUTDYSA-N	416.524	6.919	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546700	AXJRHCUUMGSYQE-MRAOVIAESA-N	419.566	7.780	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14550524	LNHXKCNORSFMQR-DPZBCOQUSA-N	403.566	6.871	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1	14551689	KQLUAWRPZLHEMB-OASJLCFRSA-N	422.572	7.063	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1	14552350	WGJKBYZGIBZPPK-FXSPECFOSA-N	410.517	6.082	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20709980	FOCDJZBLCJDQSN-KHCICDEESA-N	414.461	5.706	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)cc1	54620452	SELOAFINVNGLFV-QFIPXVFZSA-N	402.450	5.300	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC(C)C)cccc4[C@@H]4C=CC[C@@H]43)ccc21	226657820	PXAVDCLFROYZRL-KZGFNGFISA-N	422.572	7.428	10	10	HKCE	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)c(O)c(Cl)c2)cc1	248068652	RWUWTECYYPGBRN-UHFFFAOYSA-N	415.364	6.011	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1	251183262	ITHIEARWUICTKX-RQTOMXEWSA-N	422.594	5.242	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	387285998	OYDMWYAISGXSSM-KRWDZBQOSA-N	403.408	6.142	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1	526174954	UEAYTFTTWZZHIB-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc4ccccc4c3)[C@H]2c2ccc(O)c(O)c2)cc1	526340323	GJHHDNQCLYPCFB-VWLOTQADSA-N	423.468	5.617	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N([C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	1858588716	VDAYKMGIJZWUPH-PLSQEBEZSA-N	412.580	5.202	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc2ccccc12	1865664231	GZVPZRQLVMNKLH-XSFVSMFZSA-N	405.295	5.799	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(OC)c1	1865677153	VTFQBUALWKJQKL-NTEUORMPSA-N	405.281	5.294	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2OC)cc1	1865679342	IHPNMAVGPMRUGR-RCCKNPSSSA-N	418.880	5.192	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/c2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	1866146638	CHYINDYTCQRPGB-ZHACJKMWSA-N	406.507	5.174	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCc3ccc(-c4cccnc4)cc3)cc2)cc1	1866180361	QKYPLUSTYBPHHV-UHFFFAOYSA-N	409.489	5.694	10	10	HKCE	
CC(C)(C)c1cc(NS(=O)(=O)c2cccc3nsnc23)cc(C(C)(C)C)c1	1892427968	WUXBFWGCDKCYSX-UHFFFAOYSA-N	403.573	5.087	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2Br)cc1C	2079993975	ZWAYUUKCELEITF-SFHVURJKSA-N	421.335	5.179	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2321585872	LQUZVUCYHBIPKN-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccnc1	2321742727	XBBOBVCCFMWITM-UHFFFAOYSA-N	404.516	5.066	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2323844479	SLXULNPRBDZVFU-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099295	FTDFXCZIBGMKTE-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332114693	GVSMZMTWFJNCRC-UHFFFAOYSA-N	422.834	5.867	10	10	HKCE	
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	6341600	NLJMHJGTXKNNHP-UHFFFAOYSA-N	411.244	5.413	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13636107	TWFRYMQQGHERIB-XFAFFCHDSA-N	403.566	6.871	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2)N1CCCCCC1	14460664	RTHGAVSKAPUXQI-YZUZCNPQSA-N	406.957	6.183	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCOCC1	14464136	GIVWNWMSUYFBKX-HOKHCIIBSA-N	410.517	5.139	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465563	GULDTMJECVYPMS-DQVRNGEASA-N	416.974	5.243	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467665	ZWZGCHSDCJKPGL-DRSNIGMVSA-N	418.364	6.950	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2	14473684	BZJUAIIRANBGNU-KHCICDEESA-N	418.518	5.020	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	14477302	HLSSFEKAEHXGME-PONJGIIJSA-N	413.348	6.056	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C(/Cl)c2nc(O)c3ccccc3n2)cc1	96767677	UOGAZJIBMKFNMK-CJLVFECKSA-N	415.924	6.099	10	10	HKCE	
CCc1ccc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	205955842	MMUXHCUQOYTMPL-HKOYGPOVSA-N	411.505	5.395	10	10	HKCE	
CCOc1ccc(NC(=S)N(c2ccccc2)c2ccc(N)cc2)cc1OCC	243527924	OBPSREJSQYAHFH-UHFFFAOYSA-N	407.539	5.601	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1	1858590702	FLAHGGOHDBAWAQ-LDADJPATSA-N	401.984	6.039	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OCC	1865666398	JCRVQVPGVLLKJQ-LTGZKZEYSA-N	406.526	5.769	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865666697	SPCWWMMKYNNUAV-UYRXBGFRSA-N	409.272	5.534	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OC	1865669204	HGHOAKUMHZTVNO-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670032	FAUIJDCFPVIKKV-XQNSMLJCSA-N	414.480	5.597	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2cccc(OC)c2)sc(C)c1-c1ccccc1	1865945441	ISLBJFLUTXEGPE-UHFFFAOYSA-N	409.507	5.090	10	10	HKCE	
CCCCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873168443	VYBWFDTXIAQATG-GOSISDBHSA-N	421.585	5.142	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(Br)c1	1915466650	QKAVSARDGRMIQJ-LJQANCHMSA-N	417.391	5.133	10	10	HKCE	
O=C(N[C@@H](Cc1ccc(N=Nc2ccccc2)cc1)C(=O)O)OCc1ccccc1	2081114294	MZBCOIUPVJZSQK-NRFANRHFSA-N	403.438	5.024	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N12	2297350109	WITIWZXWMJVBPN-UHFFFAOYSA-N	415.927	5.392	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2321658094	CGEQZDLUVWCPKJ-UHFFFAOYSA-N	407.491	6.024	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332105186	GMAHSTVQPCXYMA-UHFFFAOYSA-N	402.881	5.184	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2CCC)cc1	2332116561	BHCXWHUDRJKQTC-UHFFFAOYSA-N	424.972	6.491	10	10	HKCE	
CCN1CCCc2cc(CN(C(=O)Nc3ccc(C)c(C)c3)C3CCCC3)ccc21	3057297	WAQUIHXNNTUVGS-UHFFFAOYSA-N	405.586	6.053	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456570	XFTOPUTYNRZMPY-ZJCBTPCYSA-N	414.574	5.856	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461990	SNJRPHVIFBZNQP-HFASVGIHSA-N	424.588	6.938	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14465240	DJEUISVAOJAKFO-JTAQYXEDSA-N	406.957	6.183	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691158	LMQDAWHFIDLPBZ-VBANMALSSA-N	408.545	6.691	10	10	HKCE	
COc1ccc([C@H](C)Nc2cc(Br)ccc2Br)c(O)c1	37121461	DNTSPIJJZOKNQD-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	40928250	OVAYMNFBJUFQOG-NBVRZTHBSA-N	405.585	5.135	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1	54619291	FMYFNMYJCCTULM-QFIPXVFZSA-N	413.477	5.022	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)ccc2cccnc12	54621840	DHPWDLNLPZJFGU-FQEVSTJZSA-N	413.279	6.588	10	10	HKCE	
CCCCC1(C)OC(=O)C(=Cc2c(-c3ccccc3)[nH]c3c(OC)cccc23)C(=O)O1	59336776	BXVRGNMOUDESBY-UHFFFAOYSA-N	419.477	5.233	10	10	HKCE	
CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1	59859583	BIWGQAHKWHZLLN-CAPFRKAQSA-N	405.498	5.128	10	10	HKCE	
CC1(C)C=N[C@H](c2ccccc2O)N2[C@@H](c3ccccc3O)Oc3ccccc3[C@H]21	247835477	NCEPWFNFYROBQZ-KMDXXIMOSA-N	400.478	5.342	10	10	HKCE	
CC[C@@H](NCCc1sccc1Br)c1cc(Br)ccc1O	713010905	UACVJJZDKFXLCY-CYBMUJFWSA-N	419.182	5.262	10	10	HKCE	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S	1858588065	OGFONQQGAGZVQD-NPRIEWAGSA-N	413.564	5.274	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	1860085111	NVQKQQRPRGOZDD-XDHOZWIPSA-N	409.557	5.673	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679552	SLXVKEKHDGUEQD-XQNSMLJCSA-N	416.908	6.115	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2034813961	LBGCMJIEPMUWEP-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(F)c1	2297366701	QGALEDWDQNHBRP-UHFFFAOYSA-N	400.283	5.244	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3Cl)C2=O)c1	2321629347	DLXZWWHBNKMTRK-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c(OC)c1	2332140572	RPTXMVZFUZNUHH-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641390	WJZMJLCLFDRZPH-DFIYOIEZSA-N	423.553	5.964	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)OC)cccc4[C@H]4C=CC[C@H]43)ccc21	13642636	NYQDEJGXFPHNRP-UDJSKEQPSA-N	422.528	6.428	10	10	HKCE	
CCOc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@H]21	13642658	FFLYWWATXXBUOA-LPOPLRKUSA-N	408.545	7.040	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(OC(C)C)cc4[C@H]4C=CC[C@@H]43)ccc21	13642888	GYRTUHKLYZRKCX-HKLKAILGSA-N	422.572	7.428	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14460225	DQPOBQGPEVCFJD-DAYGRLMNSA-N	407.682	5.771	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	20695829	WZEGWDMTXKMIGU-NQCMUKECSA-N	401.260	5.198	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2)c1ccccc1	226700346	FADPLTDBAOGZEB-FHAGJXEFSA-N	414.936	6.443	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1	1860084695	CERVIWAKNXWUIP-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(N(C)C)c2)sc(C)c1-c1ccc(C)cc1	1866044477	KMSYTQUMZDYQAF-UHFFFAOYSA-N	408.523	5.137	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(OC(F)(F)F)c(Cl)c1	1891222890	BZGWFTZGLUWKMG-YOEHRIQHSA-N	424.850	5.157	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2095888344	FNJPRHKMUZWESV-GOSISDBHSA-N	415.419	6.459	10	10	HKCE	
CC[C@H](C)Oc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1Br	2293779462	LKUMCYYTYFPFIC-AWEZNQCLSA-N	413.315	5.433	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S	2297346524	VSTSJTPBJSBYNE-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC	2321647294	IYNFATDKDBVSIG-UHFFFAOYSA-N	413.564	5.588	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N([C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	2323680902	VDAYKMGIJZWUPH-FHIRATQRSA-N	412.580	5.202	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141684	PTXMPFXIZYWFST-UHFFFAOYSA-N	410.517	5.684	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@H]21	13645944	TXNOXAVCJLNGLM-WAOWUJCRSA-N	414.596	5.058	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476661	NCSSTFURASOIHI-SXDGJLEOSA-N	411.545	6.879	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCOc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14544996	RAXXQKDXRIEOBU-QSJFZTKYSA-N	422.528	6.452	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14552501	XFOCHMHJBQZNNS-SBQVMTCPSA-N	419.528	6.555	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	20706115	BFKIUSOJABUHBV-PXARDIRTSA-N	411.889	5.213	10	10	HKCE	
CCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C)CC2)SC1=S	38732333	DYWYQARNNKBIEF-RGEXLXHISA-N	411.596	5.082	10	10	HKCE	
COc1ccc2c(c1)-c1c(ssc1=Nc1cc(Cl)ccc1O)C(C)(C)N2	1084017620	HUTMCZOSXSMDQP-UHFFFAOYSA-N	404.944	5.737	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1	1858593963	FWJAYCJYCIBODA-IFRHDIGASA-N	422.619	5.287	10	10	HKCE	
CC(C)(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1CC1	2079789029	HAWYPSHIRSUHLB-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1	2321660760	QRPGMXLJJLLLNG-UHFFFAOYSA-N	410.564	5.141	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1	2321664200	AMRIGIGMSJCNKL-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(N2CCCCC2)cc1	2321687277	WJVHWCBAXWSGGW-UHFFFAOYSA-N	419.575	5.564	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125530	LWPLXKJOTVERTI-UHFFFAOYSA-N	412.917	5.328	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468077	VXEPVSTWGXOTFG-PJIJBLCYSA-N	403.309	5.227	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2	14474841	YCAQREFMVHDENP-FYQCMVGJSA-N	410.517	5.790	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477319	HWOLHNRGSXXAGK-ZCCHDVMBSA-N	401.337	6.559	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccccc2[N+](=O)[O-])[C@H]2CC=C[C@H]32)CC1	14478178	NEDWPXTWTKOZLA-IUKKYPGJSA-N	417.509	5.293	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548308	VLFIQQLCORMUOH-OHUGHZGNSA-N	412.533	5.900	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14552201	SCQKGACTSLXDLD-CLCZQPDDSA-N	419.634	7.584	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)c1	14553530	IGKQAVUYESVTGK-XFAFFCHDSA-N	423.560	6.140	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/N3CCCC[C@@H]3CC)SC2=S)cc1	59397153	NMCDDLXSVHWWGJ-JQSQVVPISA-N	404.601	5.336	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	83262934	WTLAVBYOQOIQIU-AQTBWJFISA-N	422.311	6.473	10	10	HKCE	
COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3ccccc3c2)cs1	170550034	CYOKKCWKKCVVBW-UHFFFAOYSA-N	410.520	5.081	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226739808	ZWZGCHSDCJKPGL-YVHKJVDXSA-N	418.364	6.950	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1860084338	TYOCSIKNXXUSRD-OVCLIPMQSA-N	422.344	5.611	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccccc3C(C)C)C2=O)cc1	1860086391	DGIARLFUQZXROW-PXLXIMEGSA-N	424.635	6.058	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667431	WLUGGDKHENICIJ-KGENOOAVSA-N	404.897	5.694	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1866147985	IYGGTTARZBTTJU-SOFGYWHQSA-N	406.507	5.174	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1	1873520150	YABATSNQORWXDN-UHFFFAOYSA-N	424.375	6.905	10	10	HKCE	
C[C@H](N(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br)C(C)(C)C	2095950532	CRRSYRAQCKRNCX-KRWDZBQOSA-N	415.419	6.142	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2ccc(Br)s2)c(Br)c1	2156990936	XSAFLELVRHJJJG-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S	2293500061	OXCOTGCSTPIAKY-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1	2293838616	WEUNULAZXXSTDL-UHFFFAOYSA-N	418.880	5.917	10	10	HKCE	
CC[C@H](Nc1c(C)nsc1Br)c1cc(Br)ccc1O	2352282460	YCGHEMGSUZUPDA-JTQLQIEISA-N	406.143	5.245	10	10	HKCE	
Cc1ccc(CN(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(O)c1Br	2352647546	DXZVQPCHUWEVBN-WIYYLYMNSA-N	418.375	5.279	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@@H](C)N)cc2Br)c1Br	2369650887	QXJVRQXGZASESI-SECBINFHSA-N	418.198	5.238	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457488	IKBYAISAGSMLST-RNHFSVANSA-N	420.553	5.490	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21	14546373	WWCZVWADQGGPJH-ZYLNGJIFSA-N	402.538	5.394	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1	14552494	ZKJXJXVMFKVYRB-XFAFFCHDSA-N	424.544	6.473	10	10	HKCE	
CCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCCCC2)SC1=S	40562447	FEDNSQFPEJQTIW-JXAWBTAJSA-N	411.596	5.145	10	10	HKCE	
CCOc1ccc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)cc1	59372116	BNKARGZENHEDIU-JOCHJYFZSA-N	404.897	6.194	10	10	HKCE	
CCOc1ccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1	205956743	HNNMDYVPQQDOIE-HAVVHWLPSA-N	415.468	5.361	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226878821	FIJLBDHDYOVMND-AWVRMFGXSA-N	417.593	7.261	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1	303434038	PFNLOVBRSWEIQK-UHFFFAOYSA-N	412.499	6.412	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1Cl	1084538503	XZWYNRBDSQKOLU-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1C1CCCCCCC1	1858586774	TWSDUHDRBBTVFU-LFIBNONCSA-N	400.396	6.308	10	10	HKCE	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858591391	JIASPUGHUPYBSA-BMQCOBNYSA-N	424.330	5.021	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865664820	MOPFBAUYMRYSIH-VBKFSLOCSA-N	400.787	5.842	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)ccc1O	1865672225	QODNCNDWMZTAJC-LDADJPATSA-N	413.315	5.045	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	2034729081	ZOGNUKBPPURXHA-CQSZACIVSA-N	415.297	5.689	10	10	HKCE	
CC(=O)Nc1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1	2042435628	FHSXNCVKQJRZBM-UHFFFAOYSA-N	404.516	5.204	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079977362	LEZTWEKYSPLQEX-LJQANCHMSA-N	404.938	5.549	10	10	HKCE	
CC[C@H](C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1Br	2231476856	BXOZROWMGVZGLP-LAUBAEHRSA-N	417.391	5.133	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1	2293320663	JQNMQXIFDUAOQK-UHFFFAOYSA-N	412.445	5.040	10	10	HKCE	
CCOc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1	2294271287	MOZUHRURYYUFFI-UHFFFAOYSA-N	407.941	6.338	10	10	HKCE	
COc1ccccc1N1C(=O)SC(=Cc2cc(Cl)cc(Cl)c2OC)C1=O	2297361358	SEPITIBUYDJUDH-UHFFFAOYSA-N	410.278	5.252	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2314732374	QOTDNKVJRBZQBM-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCN1N=C(c2ccccc2)C(=Cc2ccccc2OCc2ccccc2Cl)C1=O	2332133147	IAZXRKMOBHFZRQ-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635617	BQHQICPWQPKSAH-NPZLAWLJSA-N	424.544	6.013	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13635917	BERUHYLDXGWTBR-DPZBCOQUSA-N	413.517	5.980	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	13914955	XCHQAJQSFJYMFZ-MOSHPQCFSA-N	404.554	6.102	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1	14458741	LJSKUVQRTMEAHQ-ZEVJAHDQSA-N	408.545	6.488	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467638	IXJHBONSWHFGBZ-VWKPWSFCSA-N	404.337	6.560	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14475347	AEULOSWULRQMDK-NLJOTIRTSA-N	422.572	6.683	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14478305	GYNKWOLOQFTLHC-UZINWLIJSA-N	418.537	6.771	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N(Cc1ccccc1)c1ccccc1	95470963	GIFYSFZQQFHJRH-QJOMJCCJSA-N	401.897	5.653	10	10	HKCE	
CCCCCCN(C(=O)OC(C)(C)C)c1ccc2c(NC=O)c3ccccc3nc2c1	211277574	VEDJKBCQVDPUMM-UHFFFAOYSA-N	421.541	6.278	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860075166	NCWPFLGTAHLVIV-VGOFMYFVSA-N	414.766	6.361	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)c1	1860085628	GGPBDDLGYQMXBA-XMHGGMMESA-N	411.548	5.358	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	1860086608	VLGJBQRSCIOVFQ-RCCKNPSSSA-N	402.544	6.144	10	10	HKCE	
CCCN[C@@H](c1ccccc1O)c1cc(Br)sc1Br	2090034351	GWZBERAFPRQHMS-ZDUSSCGKSA-N	405.155	5.068	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Br	2095880292	YFQDZIHDVKWPIB-NRFANRHFSA-N	417.391	5.134	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H](C)c2cscc2Br)c(Br)c1	2186592226	PMQKHVMNMRVGCH-NXEZZACHSA-N	418.198	5.490	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC	2321721553	IGKHVPAVJIBURK-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CCCCCCN1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323719168	TZKIROBNNMQJCK-UHFFFAOYSA-N	402.354	5.370	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCc3ccccc3Br)cc1)CCCC2	9151446	WZQSAUSMELEIMM-UHFFFAOYSA-N	423.354	5.357	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	13634799	CKNWVHCRDLOQQJ-FRQCXROJSA-N	403.263	5.126	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457461	NJINPETZHITLOY-DFFLPILJSA-N	412.917	5.619	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14548218	IAMAMYCKSRYBFP-AAEPNQCFSA-N	419.524	6.951	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2Cl)N3)c1	14553586	YCYBMLGYIFPCPP-WZOHSFFVSA-N	414.936	6.727	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21)N1CCOCC1	20708223	CGBWOAKLDFTNJA-OTNCWRBYSA-N	410.517	5.139	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753359	KBPHXYMUPXMJSX-SWYRRKHMSA-N	416.351	8.126	10	10	HKCE	
Cc1ccc(N/C=C/C=C\C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1	38170068	IRHGBISZIHBFNA-XRIABRBCSA-N	406.576	5.464	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	43769681	ZOJXXDRSGRXKGD-CKEIUWERSA-N	404.691	5.627	10	10	HKCE	
Cc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621440	JPLPCKCOALNQRH-JOCHJYFZSA-N	417.440	5.806	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2csc(Br)c2)c(Br)c1	110360466	QUQWQXDJNRNWOA-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226713645	KBOZJTZXWQSQNR-YDIMBITNSA-N	408.973	7.029	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	1083995011	MOEDHYOHNVMAFY-QGOAFFKASA-N	403.956	5.925	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N([C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	1858588718	VDAYKMGIJZWUPH-XLQFJJJUSA-N	412.580	5.202	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1	1860085045	IIPURIOBJKEPNZ-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865677386	GOXJDGKQMPVYMQ-AQTBWJFISA-N	408.835	5.448	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)SC1=S	2040467200	ZKUSORSMIGUWPK-NSHDSACASA-N	422.369	5.709	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2095888197	CCQINTFLPFDNEO-GOSISDBHSA-N	415.419	6.459	10	10	HKCE	
CCN(CC)c1ccc([C@H](N)c2scc(Br)c2Br)cc1	2163137976	ITMDFRBFASRUOP-AWEZNQCLSA-N	418.198	5.167	10	10	HKCE	
COc1ccc(Br)c(CNc2cccc(OCc3ccccc3)c2)c1O	2227749309	SRCRDWAHOLMRMZ-UHFFFAOYSA-N	414.299	5.354	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)cc1	2297295842	GPKVSCVJCCRBTQ-UHFFFAOYSA-N	413.520	5.179	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN(Cc1ccccc1)c1ccccc1	2297511379	GIFYSFZQQFHJRH-UHFFFAOYSA-N	401.897	5.653	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3C)SC2=S)cc1C	2297577038	NPDKEOPROMSXDX-UHFFFAOYSA-N	408.592	5.618	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1C	2321596250	AJWVJICEGYPDLY-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccc(F)cc1	2323858624	UVTRTJQLAYSFNY-UHFFFAOYSA-N	412.338	5.576	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2CC)cc1OCC	2332113804	LGFUZHCKQCGXKW-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cc1	2332114857	YTIQYWBZMBVTHB-UHFFFAOYSA-N	404.554	6.064	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OC(C)C)c(OC)c1	2332125489	IIVZLZIPLAPOEU-UHFFFAOYSA-N	408.498	5.077	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2sccc2C)cc1	2332127464	APOVCILRHQMGAN-UHFFFAOYSA-N	408.910	5.553	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14460570	AVIRPIXTDHCWCP-PPJWLVRDSA-N	415.964	7.178	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469386	AMSWPGVQCSXARA-XFAFFCHDSA-N	410.517	6.051	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469743	YVJGGHQBXZAUFF-ZEVJAHDQSA-N	411.501	5.879	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@H]32)c1	14552539	BLWHSGNQOPKWJW-PLXFJCCSSA-N	410.517	6.082	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1OC)[C@@H]1CC=C[C@@H]21)c1ccccc1	20749685	STFPEVZTZOKRTB-YPCDYVTLSA-N	424.544	6.188	10	10	HKCE	
O=C1/C(=C/C=C\c2ccccc2)C(O)=NC(=S)N1c1ccc(Cl)c(Cl)c1	33316152	BLHJTYHIUWTKPJ-JCXIYKEOSA-N	403.290	5.221	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)c(Cl)c3)c3cccnc3)c(O)c2n1	54621851	KGLNXGVDAAPSNV-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
COc1cc(NC(=S)N(c2ccccc2)c2ccc(N)cc2)c(OC)cc1Cl	242906165	GQOLQYRRZHBTKK-UHFFFAOYSA-N	413.930	5.475	10	10	HKCE	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc(Br)ccc1O	379627954	NEEDZHKPJGTBGX-SCWSEQNSSA-N	417.391	5.249	10	10	HKCE	
CC[C@H](C)N(C(=O)/C=C/c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911149	SDBAWTCUJAFXGE-GVJQPLCZSA-N	409.485	5.307	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)[C@@H]3CCCN3c3ccc(Cl)cc3)cc2)cc1	1866142609	WOXBDWNWXCJTAS-QHCPKHFHSA-N	405.929	5.121	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	1866158758	UPDUWROOYDBYBI-FOWTUZBSSA-N	420.534	5.564	10	10	HKCE	
COc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1Cl	1872739621	WBFWPAAQFJBAGR-UHFFFAOYSA-N	420.900	5.210	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2053497136	XGQFOFWOFSQWGY-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080023649	CQVFLIAWKFIIMK-SFHVURJKSA-N	404.938	5.333	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC	2297576895	RWZLSLCWAFZOLE-UHFFFAOYSA-N	419.955	5.380	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1	2321664054	VOIKSSYRSKXYBD-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(O)c(OCC)c1	2332094578	UVWXOXHOUYUVRU-UHFFFAOYSA-N	419.308	5.684	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2	9833685	BPZMYJPKCXFYRX-VNBZBWLYSA-N	418.718	5.716	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21)C1CCCCC1	13640092	LUZBDCKEPRYUPT-JXQFQVJHSA-N	418.537	5.329	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(O)c1	13640285	OBYUCHCIGLIUJL-OREGWCPLSA-N	413.517	5.936	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc(Cl)c4C)[C@H]4C=CC[C@@H]43)ccc21	13642459	UNTZAXUCPOXNRN-YDLGPDHBSA-N	412.964	7.603	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14464210	KJPIMBPWUYNIMQ-CAKYRVLISA-N	422.572	6.538	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469277	IOIBVUREWRIWRN-WYEJZRMESA-N	420.509	5.186	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2c[nH]c4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14544934	LSMRAQVITBOAIN-KAWPREARSA-N	411.549	5.867	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549040	JXXWIOYNNSLFEY-LZCXECNNSA-N	416.351	8.126	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20717849	MREHLOVIHPELOE-SKVJQKLOSA-N	411.545	6.533	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(C(=O)OC(C)C)cc3)c3ccco3)c(O)c2n1	54620505	SUEBRYUFRFUYAD-HSZRJFAPSA-N	416.477	5.609	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1	59396993	REYRAEIGUAQLGS-AQTBWJFISA-N	402.972	5.592	10	10	HKCE	
O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	100434627	ZBNDISIDRCPFKR-BYYHNAKLSA-N	418.566	6.131	10	10	HKCE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1	205609920	YIGMUZNUYWURLL-NVEDVNMVSA-N	420.597	5.271	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC(F)F)C2=O)cc1	206446909	LSJBZEVETYTVHM-LFIBNONCSA-N	407.463	5.093	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250648273	NHHMHFVAOQMJHW-QZTZHPFYSA-N	414.461	5.706	10	10	HKCE	
C[C@H](NCc1cccc(Br)c1O)c1ccc(NC(=O)OC(C)(C)C)cc1	311302260	JTHYGSKBQKGANM-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526399254	WXNPSDOFKDTGPY-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1	526437573	PMCKYOMBGSETTP-JOCHJYFZSA-N	418.518	5.074	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860086230	RLOYDAIBDMQATA-MHWRWJLKSA-N	424.374	6.186	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccc(-c2ccccc2)cc1	1892123252	YBWWRTBCJDGVIJ-UHFFFAOYSA-N	424.522	5.725	10	10	HKCE	
CN1C(=O)C(=Cc2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S	2293358550	HVEMSUNUJKZUJW-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1	2297297022	GCEAYIJPDUXZGP-UHFFFAOYSA-N	410.473	5.125	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1	2297578541	QMTBWEAJWCMXRJ-UHFFFAOYSA-N	404.944	5.010	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323680627	KRPRURLQOVMUFW-PWNZVWSESA-N	422.413	5.475	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2332104239	OCBNDINWVWRARE-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	2332122263	KPROZDVBFADGSM-UHFFFAOYSA-N	410.395	5.587	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccccc1C	2332133628	IGXGQTQHGTUPQO-UHFFFAOYSA-N	420.553	5.620	10	10	HKCE	
Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1cccc(Cl)c1Cl	3355267	QBGAGHYIASKYCJ-CXUHLZMHSA-N	417.723	6.547	10	10	HKCE	
Cc1ccc(C)c(/N=N\c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c1	12358723	NPGIHFRTRXVWOY-UVWPASAXSA-N	408.505	8.610	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459381	PHTXWGUVEIPTHO-DFFLPILJSA-N	412.917	5.619	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546997	DIQATWDVIANZFU-UWAQFDASSA-N	415.364	6.348	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2sccc2C)[C@@H]2CC=C[C@@H]32)cc1C	20688213	BORYFLQPYDCABQ-LEEZEASISA-N	414.574	6.752	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@@H]2C=CC[C@H]21	20749000	TUAQFTKLOTUKFR-IPVFLDMMSA-N	410.517	6.164	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226665694	IXBLDLZFOBVUGO-SLSDLSHTSA-N	416.546	5.622	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226897396	QTQCNKDVWXTWFP-GKAFBRTNSA-N	419.524	6.996	10	10	HKCE	
Cc1ccc(I)cc1NCc1cc(Cl)cc(Cl)c1O	388530424	OAQQFOCKGHRJFP-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	1084432072	LBISAVOEKWFBGO-RIYZIHGNSA-N	411.291	5.307	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccncc1	1858588838	FBOLGBPNCBXILL-KGENOOAVSA-N	418.543	5.062	10	10	HKCE	
COc1cc(OC)cc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c1	1860087841	WBWSORNXWDAUSC-VXLYETTFSA-N	413.564	5.407	10	10	HKCE	
CCCCOCCCNC(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1	1872737004	UUPDYDMRVITSJK-UHFFFAOYSA-N	422.573	5.013	10	10	HKCE	
CCCN[C@H](c1ccccc1O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1	2283651456	HETYPMSAKZNHBI-DNQXCXABSA-N	404.510	5.101	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1	2294082079	UMGIUYWHPCECDW-UHFFFAOYSA-N	416.452	5.219	10	10	HKCE	
CCOC(=O)c1ccc(-c2ccc(C=C3C=C(c4ccc(C)cc4)OC3=O)o2)cc1	2313510640	YPDNSYOXDNNYQG-UHFFFAOYSA-N	400.430	5.413	10	10	HKCE	
O=C1SC(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=S)N1Cc1ccccc1	2314488784	OWZIKPQHSAKQNB-UHFFFAOYSA-N	421.503	5.423	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2314754974	LFHAANYTESIUIS-UHFFFAOYSA-N	413.564	5.165	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC	2321609733	FZCMJNJWUNKYJG-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2321643917	YDUSCGBAVBEYNF-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332104163	OPOSSEVGLTVBBO-UHFFFAOYSA-N	416.524	6.798	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c1	2332116642	KDJHBXDPEXJYDR-UHFFFAOYSA-N	410.395	5.587	10	10	HKCE	
Cc1ccc(CNc2ccc(F)c(F)c2Br)c(O)c1Br	2381133834	UBPHGNXIGFIAGU-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455962	AYJDDMJPUYMTDE-ZILOHOTNSA-N	414.574	6.155	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)N1CCCCCC1	14460665	RTHGAVSKAPUXQI-IMSXRSKXSA-N	406.957	6.183	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470045	HEFNWMJAQKCSEZ-PPJWLVRDSA-N	424.544	5.842	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2)c1ccccc1	14474811	ADNVWXUEJWCVGM-LZCXECNNSA-N	410.517	5.885	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1	14475545	BXUUDLPFIBXYFT-PPJWLVRDSA-N	410.517	5.139	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543368	CIHIGOPUGCRNIJ-FBLLAGFSSA-N	416.565	5.784	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)c1	14553559	CTRTXMMWRPNZDJ-SLSDLSHTSA-N	414.936	6.727	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O	33362720	AUDLYKWLUIIFAF-STZFKDTASA-N	420.559	5.320	10	10	HKCE	
O=C1Nc2c(cccc2C(F)(F)F)[C@@H]1/N=N/c1ccc(C(=O)N2CCCCC2)cc1	97955950	YOGXXLNCRULPCX-BDSWOBDFSA-N	416.403	5.109	10	10	HKCE	
CC[C@@H](Nc1ccc(Cl)cc1Br)c1cc(Br)ccc1O	125150556	ZWUQWNLCQACABX-CYBMUJFWSA-N	419.544	6.134	10	10	HKCE	
COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3ccccc3c2)cs1	170550028	INBXQSBMAUBGBS-UHFFFAOYSA-N	424.547	5.390	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100209853	HFYXUNHVIJVENQ-YADHBBJMSA-N	417.391	5.131	10	10	HKCE	
CC[C@H](C)c1ccccc1OCCOc1cccc(C=C2SC(=S)NC2=O)c1	2297335549	AGPZARALFMYPHR-HNNXBMFYSA-N	413.564	5.147	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccccc3OC(C)C)C2=O)cc1	2332133962	VUJNMWYMLSIICB-UHFFFAOYSA-N	402.416	5.126	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N12	4150679	NONAKSDYPMELNH-VROQGOMBSA-N	410.930	5.223	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@H]32)c1	14553697	JCOQWWCACTYOLS-PLXFJCCSSA-N	410.517	6.082	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53362892	OMQXRSOYUZRBNR-JYFHCDHNSA-N	416.521	5.330	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	59397129	TYAOZKMLWXAVAR-OJNRTJSBSA-N	401.384	5.464	10	10	HKCE	
CN(C)c1ccc(/N=N/c2ccc(C(=O)O[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2)cc1	109446886	UAUAWYREUQAAHD-LQABJBNFSA-N	405.542	6.540	10	10	HKCE	
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1	170550035	KRQHKCQXQDLJRI-UHFFFAOYSA-N	410.520	5.163	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	251311068	DPDVSNGQBZBIMT-OFAHOWDGSA-N	415.364	6.348	10	10	HKCE	
CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)c1cc(Br)ccc1O	716219869	IWAOPFHNETZCML-TYCQWZJGSA-N	417.391	5.106	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(C)c(C)c3)C1=O)cn2C	1860076522	HHPJOWFJUMDAKG-KEBDBYFISA-N	408.548	5.210	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cccc(C)c3C)C1=O)cn2C	1860076610	PFWJRMXHRXUVRZ-KEBDBYFISA-N	408.548	5.210	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cccc(OC)c1OCC	1865669976	BEJUOBYXSFVWKB-RCCKNPSSSA-N	406.526	5.293	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865673202	WADRCFAGVJDJHU-STZFKDTASA-N	411.892	5.651	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1	1865678669	XPHASFKYSUNQOC-GDNBJRDFSA-N	409.205	5.106	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](NC(=O)OC(C)(C)C)c1ccco1	2172878921	XWZRJAFWDMFDFD-MEDUHNTESA-N	415.317	5.036	10	10	HKCE	
CC(Nc1cccc2ccccc12)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313682847	LZEWQMNDWAILEJ-UHFFFAOYSA-N	421.475	6.116	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2321585882	OQRXYGQAIYRNPO-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1	2323889828	XADNPEGRNMIMQT-UHFFFAOYSA-N	423.481	5.506	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cccc2ccccc12	2332099962	XDFNQVBEMIURMA-UHFFFAOYSA-N	406.888	6.214	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116333	BBLNQVDYSYDSSE-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118542	XHQGDMUIWDQEQH-UHFFFAOYSA-N	411.505	5.555	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1O	2332125614	WBBAHBRWZSESPC-UHFFFAOYSA-N	405.679	5.004	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139957	LXBIHPRRQVZCAL-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1	33735917	BWOZSJRDVGVEHS-UHHWSGGGSA-N	410.474	5.141	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363613	LQLDRLSXCPUIGT-XUZZJYLKSA-N	406.913	5.585	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1	54619307	SRNHTSFPGBFMNY-QFIPXVFZSA-N	418.518	5.689	10	10	HKCE	
O=C1/C(=C/c2ccccc2)N=C(c2ccccc2Br)N1c1ccccc1	59229598	IGHHWQCZEUEZOX-HKWRFOASSA-N	403.279	5.284	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226737169	ZKCUFOFOISQHHO-ZOCZFRKYSA-N	412.873	5.642	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226882204	HHSIAMOENSXZMH-YJLYGGOZSA-N	421.566	5.025	10	10	HKCE	
COc1ccc(OCCN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	1858587233	QYAIZGWDNAZXTC-RCCKNPSSSA-N	421.543	5.129	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	1860084362	UMLYEFJNGBBPBI-VCHYOVAHSA-N	414.508	5.133	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865658588	MPBALRMYMGHEEQ-LDADJPATSA-N	415.364	6.483	10	10	HKCE	
COC(=O)c1c(NC(=O)CC2CCSCC2)sc(C)c1-c1ccc(C)cc1	1866195280	TVMWSTSNOFOTOU-UHFFFAOYSA-N	403.569	5.290	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2034702417	KDMSVDGUPKGZNI-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)C)cc1Br	2034704399	IFRMWOUHDFHIRY-GOSISDBHSA-N	403.408	6.172	10	10	HKCE	
CC(C)c1nn(Cc2cccc(Br)c2O)c(Br)c1C(F)F	2079712513	OXHWDRLALLTILQ-UHFFFAOYSA-N	424.083	5.223	10	10	HKCE	
CC1(c2c(C3CC3)nn(Cc3cc(C(F)(F)F)ccc3O)c2Br)CC1	2079716031	RWCQKUPEKZMOKI-UHFFFAOYSA-N	415.253	5.347	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2Br)cc1C	2079952542	JSEWJNDDSUNLPM-SFHVURJKSA-N	421.335	5.179	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080002359	WJLGYDJLYZFZQR-IBGZPJMESA-N	416.949	5.477	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2080024817	LAXWBRNFZXBBNP-IBGZPJMESA-N	420.937	5.330	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N([C@H](C)c3ccccc3)C1=O)cn2C	2323767120	VVVRAYOWEWDSFW-CQSZACIVSA-N	408.548	5.149	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N(CCC4=CCCCC4)C3=O)n12	2323839568	DSZUMDYMWVCXOQ-UHFFFAOYSA-N	424.016	5.449	10	10	HKCE	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1	13619458	LNDJTMDZAAYKNN-YQMJRWHPSA-N	401.466	5.912	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14460854	VBSFLPKOHRDGLB-STXHMFSFSA-N	414.299	5.158	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461433	BOQKFCAMASWICW-VBOOUTDYSA-N	409.577	7.103	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14466948	SAEGMNSIGXCYQW-WHSLLNHNSA-N	403.353	6.372	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467110	GZXFHBKBZPNCEQ-PJIJBLCYSA-N	404.293	5.702	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476429	DYPWOUKXZMWTRH-OUDXUNEISA-N	413.517	6.109	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	14552385	VOTPKVLCNUMJGU-FMGHJNRGSA-N	422.572	6.999	10	10	HKCE	
COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3O)N2)cc1	53363489	WZROKTLVDKWJCX-FYYLOGMGSA-N	420.896	5.055	10	10	HKCE	
CCN1/C(=C/C=C2\SC(=S)N(c3ccccc3)C2=O)Sc2cc(C)ccc21	101963422	BIHHWKIJTGGJHP-KODDWTJMSA-N	410.589	5.717	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226838735	LMEUXLTWQQZTTF-YTZAWJCFSA-N	416.392	7.779	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226903376	JCWJZXUHGZNCLZ-FGSXEWAUSA-N	416.612	5.385	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1Nc1cccnc1	256017871	GRCIRSDXYLOHAJ-UHFFFAOYSA-N	412.413	5.682	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H]4CCCC[C@@H]4C)C3=O)n12	1858589947	QLRQWGXMGWJMIM-BEYKBWQHSA-N	412.005	5.138	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1	1860085205	VVSHJLIDLVJAHW-RIYZIHGNSA-N	419.984	5.326	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cccc3ccccc23)cc1	1865664233	HDIFQUHACMLXCI-NLRVBDNBSA-N	418.496	5.991	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Cl)c1Cl	1891385357	XDWSUOXORMWSPN-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)C)cc1Br	2034704400	IFRMWOUHDFHIRY-SFHVURJKSA-N	403.408	6.172	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2034820287	JYNMIUUDVXGXIU-ZWKOTPCHSA-N	403.408	6.171	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2034822269	XATZWXJRSJXUSL-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079977361	LEZTWEKYSPLQEX-IBGZPJMESA-N	404.938	5.549	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)ccc1OCCC(C)C	2296538224	GQKKWDKBLZWTCX-UHFFFAOYSA-N	419.612	5.654	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccc(Br)cc2)cc1	2313671103	FDMHGNVBQJPKSX-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3CC)C2=O)cc1OCC	2321569927	YBOGNELNZFZTPZ-UHFFFAOYSA-N	413.564	5.452	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1cc(Cl)ccc1Cl	2321646999	IMNSNJOMCFUEPK-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323680573	JPJCMIXHRRLUQR-UVLXDEKHSA-N	412.407	6.019	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccccc2OCc2ccccc2Cl)C1=O	2332133291	WUIMYVKERFDONO-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Br)cc1	2332147463	FRDFOQROHZSVOF-UHFFFAOYSA-N	405.295	5.799	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	9310260	HJXUGBLHAHQTRA-XDHOZWIPSA-N	422.487	5.162	10	10	HKCE	
O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccccc1C(F)(F)F	13812700	DDTOBLVCFIHAQD-UHFFFAOYSA-N	400.425	5.745	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459757	ZKZIDJDQPNWSLI-YZZKKUAISA-N	418.537	5.290	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461106	CJTBZUZERBEJAZ-HYFFOGBASA-N	414.343	6.160	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@H](c3ccccc3OCc3ccccc3)[C@H]2C1	14476288	VTABQKHHIQUBMM-MOMDTQCHSA-N	403.525	7.245	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480111	JQOOPRMVTZBTSZ-JCYRPKCISA-N	408.545	6.094	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546627	MSODWZFZLZCKIP-VFCRVFHLSA-N	402.321	6.387	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@H]32)cc1	20697286	WYRPFBXSRVYQLL-OASJLCFRSA-N	404.598	6.784	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(Cc3ccc(C)c(Cl)c3)C2=O)c1OC	102450805	UEOXKBLWMJLJPO-LICLKQGHSA-N	419.955	5.067	10	10	HKCE	
COc1ccc(NCc2cc(Br)ccc2O)cc1NC(=O)OC(C)(C)C	378923623	QUFVDNPQUSGXKU-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(C)CCCOCc2ccccc2)cc1Br	384069718	LPTIZTVOWVJFNO-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
Cc1c(NCc2c(O)cccc2Br)cccc1NC(=O)OC(C)(C)C	706831856	PWQSBDZFYWDVTO-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1	1084375922	ZWBVWNMLVRJCDQ-QGOAFFKASA-N	414.508	5.180	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CCc1ccc(O)cc1	1858588003	LVJPBNOCGOBNNF-XNTDXEJSSA-N	410.347	5.143	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(c2ccccc2)=NN1c1cccc2ccccc12	1865656599	NEQPIUXEOBOSLH-QJOMJCCJSA-N	408.888	6.328	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)cc1	1873520500	NUPILZSZCYRSAT-UHFFFAOYSA-N	400.482	5.506	10	10	HKCE	
Oc1cc(Br)ccc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Cl	2079831437	ICMPIQMMXYJEHC-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2095954733	XMGOSAPIUAKKEP-GOSISDBHSA-N	417.435	6.390	10	10	HKCE	
Cc1cccc(COc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Cl)c1	2297314552	HQEAYAMRTMFDRK-UHFFFAOYSA-N	409.898	5.004	10	10	HKCE	
CC(Nc1cccc(F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2297507814	NKFAIHDVFXZOJO-UHFFFAOYSA-N	420.391	5.086	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2313514004	HFIBHFVUFYZAHC-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
O=C1C(=CC=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1	2313532998	HFKGZBKHFPLQCU-UHFFFAOYSA-N	402.884	5.210	10	10	HKCE	
CCc1ccccc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1	2313683526	AKQGNJKPZRIDFD-UHFFFAOYSA-N	411.505	5.395	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1C1CCCCCCCCCCC1	2323743709	SQTPSWMDNPUSKG-UHFFFAOYSA-N	422.059	7.215	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477856	DPDVSNGQBZBIMT-DAAPVNGYSA-N	415.364	6.348	10	10	HKCE	
Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)N2)cc1	53363389	MPFWYIHVDCGBSF-GMAHTHKFSA-N	421.338	5.686	10	10	HKCE	
CCOc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccccc4)cc3c2)cc1	59522572	RIWHFEPMWLLDSM-CYYJNZCTSA-N	413.433	5.859	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccccc1Cl	253572604	QJIXMIRHUHUUSH-BRSBDYLESA-N	402.925	5.745	10	10	HKCE	
O=S(=O)(O)c1ccccc1N=Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	254487219	VKLGUVRHXMGJRL-UHFFFAOYSA-N	404.451	5.406	10	10	HKCE	
Cc1cc2occ(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)c2cc1Cl	256019460	FURPACJVBAKLBF-UHFFFAOYSA-N	403.869	6.991	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1	526209578	VFNPIXZOEGQHGG-IBGZPJMESA-N	413.882	5.178	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CN(Cc2ccccc2)CC12CCC2	693678920	GKQQIQRWONAXHF-GOSISDBHSA-N	405.369	5.091	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)ccc1O	1860085199	VJKHUZPFCFBYFB-VIZOYTHASA-N	412.319	5.113	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2CC)cc1OCC	1865666968	XGUYGOCBTRFPPK-SAPNQHFASA-N	412.917	5.724	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865669568	PGLXTJXYHHJWPM-JWGURIENSA-N	402.881	5.573	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	1865669785	VCCCVWAWGBJJAF-HKWRFOASSA-N	424.422	5.977	10	10	HKCE	
COc1cc(/C=C2/C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccc(Cl)cc1	1865673066	STFVXERWLGQLML-RGVLZGJSSA-N	412.917	5.185	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1	1865679157	YACVFBRVJJRFBP-QNGOZBTKSA-N	406.407	5.848	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2csc(C)n2)sc(C)c1-c1ccc(C)c(C)c1	1866064622	PIWSSWHXXZWURW-UHFFFAOYSA-N	414.552	5.073	10	10	HKCE	
NCc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(F)c1Br	2034700844	GWJMYUBHQODEQG-UHFFFAOYSA-N	405.355	5.634	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1	2034779451	ALNALRRTRFTMRP-MRXNPFEDSA-N	402.332	5.598	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2O)c1C(F)F	2079022286	MAFHGCPWGNCQSJ-UHFFFAOYSA-N	420.378	5.068	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Cl	2294259069	GEVPSOQVSBTABD-UHFFFAOYSA-N	402.837	5.720	10	10	HKCE	
CCOc1ccc(Cl)cc1C=C1SC(=S)N(c2ccc(C)c(C)c2)C1=O	2294593327	FKWCJQVTASGOAA-UHFFFAOYSA-N	403.956	5.761	10	10	HKCE	
O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C(=O)[C@@H]12	2297710362	DCRGAADTEDREEN-RBVMOCNTSA-N	421.456	5.061	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc(C)ccc3C)C2=O)cc1	2321591457	VOJBEKZYAGNLQJ-UHFFFAOYSA-N	410.608	5.551	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1c1ccc(F)c(F)c1	2321745710	NBCGYOYTKSPVBD-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104871	ZTYFJHTYIMXPRM-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CCCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2CCC)cc1OC	2332114448	DVOVLPVVOYAOFZ-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466766	NJUKCGDGRJZKFF-DWKCODDLSA-N	408.929	5.075	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21	14474300	MYIIHJJBQDGRNB-WZOHSFFVSA-N	410.517	5.491	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545662	FKOJUUYCKKKXNB-LXWOLXCRSA-N	411.545	6.533	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S	16926515	DAZCHUWZCWGEKV-VKAVYKQESA-N	409.548	5.232	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226700054	MCKQRHWUKLWHAW-PMAPCBKXSA-N	412.917	6.500	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226837427	AHTHTPYFMPWELD-XFQAVAEZSA-N	411.889	5.669	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1OC	1860074920	ALHYKBSUINWUDI-CXUHLZMHSA-N	405.928	5.071	10	10	HKCE	
O=C1/C(=C\c2cccs2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865671577	JCQPBKBCLQPQEW-ATVHPVEESA-N	413.329	5.885	10	10	HKCE	
CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S	2297455592	PAGZAPGKAYPHQY-UHFFFAOYSA-N	417.515	5.117	10	10	HKCE	
O=C1C(=Cc2ccccc2)C(c2ccccc2)=NN1c1ccc(Br)cc1	2332094660	ILFJBOBPJGYUAL-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3cccc4ccccc34)N=C2CC)cccc1OC	2332117381	AJSWLUQPPALNDE-UHFFFAOYSA-N	400.478	5.443	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2sccc2C)cc1	2332127643	RLEBFIOLOWQEBY-UHFFFAOYSA-N	408.910	5.553	10	10	HKCE	
Oc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(O)c1	13640312	VLYIOAKHORVGNP-UZINWLIJSA-N	413.517	5.936	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14476930	BBXNZZDDEFTMPE-VTJXTGGHSA-N	402.321	6.387	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14477056	NGTWEQRHZHCACC-VFCRVFHLSA-N	413.348	6.056	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccccc3F)N2)c1O	20764377	HKORHKPFAIKETH-DHLKQENFSA-N	420.484	5.161	10	10	HKCE	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(C(F)(F)F)cc1	59396759	AXIOKZXEKHHZJO-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226830451	CXOCUSGAJRHZEH-PZPWOCDFSA-N	415.364	6.348	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	1858588465	HAZDWCIZBXFCLR-TUSKYJEMSA-N	417.596	5.120	10	10	HKCE	
O=C1/C(=C\c2ccsc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1860084187	OUCTYOWRMSILKH-LFYBBSHMSA-N	405.875	5.826	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1OC	1865671023	FRPMZBXABQELIB-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Br)ccc1O	1865672349	YBQGVQCNWJFKSU-QGOAFFKASA-N	421.294	5.504	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)c2O)sc(C)c1-c1ccc(C)cc1	1866177254	ITYFWFDWTDZWPA-UHFFFAOYSA-N	415.898	5.430	10	10	HKCE	
Cc1ccc(COc2cccc(NC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)c2)cc1	1874174930	FAVYFPFMEBOBLT-UHFFFAOYSA-N	424.544	6.542	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H](c1ccccc1)C1CCCCC1	1891327389	LIZUYZGRUYUWCT-OUIFVKKZSA-N	402.582	5.656	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)SC1=S	2295450053	IAESHSJTXJBKLK-UHFFFAOYSA-N	414.335	5.387	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CN1CCCCCC1	2313501954	ICKNZMQOKFNKBU-UHFFFAOYSA-N	401.384	5.028	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)ccc1[N+](=O)[O-]	2321742666	XEJNSMRQKJKCHM-UHFFFAOYSA-N	414.508	5.096	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	2332119207	NAPSVWZNIZBCHV-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC	2332125857	WRJDJCHQBNPOAZ-UHFFFAOYSA-N	418.415	5.223	10	10	HKCE	
FC(F)(F)c1cccc(/N=N/c2cnc(-c3cccnc3)nc2-c2ccccc2)c1	5490333	PJCNMLUUVRNFNJ-QVIHXGFCSA-N	405.383	6.640	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C1	14469388	XLOSPAOVRBRTLG-ZRRKCSAHSA-N	403.525	7.245	10	10	HKCE	
COc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc1OC	14479330	DXDDPOLUNLBEBR-AVCJSFLBSA-N	410.728	6.491	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2)c1ccccc1	14546445	ZITVMAIPGGQKOB-BCQCSXDESA-N	424.544	6.188	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548710	FOXUOLUOBSOVLU-RUSORYGASA-N	400.547	6.066	10	10	HKCE	
CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	33482903	UAENLGHMGOWYHK-GZTJUZNOSA-N	411.577	5.210	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	226797344	CKQWYABPGJDTCH-DZBFJFRRSA-N	410.517	5.710	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226830841	DVLNOWKWCUCNQP-IZGSKCEXSA-N	415.364	6.348	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCN(Cc1ccccc1)Cc1ccccc1	390569528	RXDZEDHCTPWDII-DHLKQENFSA-N	414.593	5.931	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1	1865653945	ABJPZDJHWLSNEP-LDADJPATSA-N	416.352	5.641	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1	1865664890	QKYLIBFPOYSQAU-UYRXBGFRSA-N	423.299	5.837	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	1865665673	GJETYGSSUBOMPD-STZFKDTASA-N	402.881	5.184	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668788	PKOIGNQULOBMHM-BUVRLJJBSA-N	416.908	6.034	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670022	DTOPGVFXUJDNDH-KOEQRZSOSA-N	410.517	5.766	10	10	HKCE	
CCN1N=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O	1865674341	ANLNDFKPVSXSHX-RQZCQDPDSA-N	419.308	5.202	10	10	HKCE	
Clc1cccc(COc2ccc(C3CCCCC3)cc2/N=N/c2ccccc2)c1	2295356272	YFZBHTLSFJKPJI-BYYHNAKLSA-N	404.941	8.382	10	10	HKCE	
O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1c1ccc(Br)cc1	2297297849	JOBAELSXTMVIEP-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
CCCCc1ccc(C2=NC(=Cc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2C)cc1	2297299007	WALDZRCQEHQTMZ-UHFFFAOYSA-N	422.572	6.789	10	10	HKCE	
CCN1C(=O)C(=CC=C2Sc3ccc(-c4ccccc4)cc3N2C)SC1=S	2297550953	VMLHOBQOQQSXSZ-UHFFFAOYSA-N	410.589	5.501	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC	2321721583	OOWDFSIMAXMQKY-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099932	SVBZTTRVHAODQR-UHFFFAOYSA-N	412.936	6.359	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1cccc(OC)c1OCc1cccc(C)c1	2332134269	CTDMRJKHFKKTFM-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@H](C)CC)ccc21	3585622	UCIASRUJXHMOLB-HXUWFJFHSA-N	409.643	6.155	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635672	QWDFCPDOPMKLRJ-ZEVJAHDQSA-N	424.544	5.794	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13637420	CKQWYABPGJDTCH-AOOPRCNYSA-N	410.517	5.710	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)ccc21	13642530	NZEXAJXHGNEMQC-STTRJGPESA-N	409.489	6.549	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCC1	14470905	FOWVGAXGMRCUHO-GCKMJXCFSA-N	423.900	5.311	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476422	NHHMHFVAOQMJHW-RHGYRFJNSA-N	414.461	5.706	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14478255	WIEMPIBUSZSWIS-IPVFLDMMSA-N	412.489	6.043	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549061	GQZUNICHPKTZDL-LUXHBGHRSA-N	418.584	7.666	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)c1	14553528	IGKQAVUYESVTGK-DPZBCOQUSA-N	423.560	6.140	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@@H]21	20702832	LHKCHWUSMJBSJF-KHCICDEESA-N	407.510	5.626	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1	54620437	FDXJDMFMOTYHCI-QFIPXVFZSA-N	413.477	5.102	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC)ccc(OC)c4[C@@H]4C=CC[C@@H]43)ccc21	226633174	WVQXAJQCVCCDQN-JVAFGIKQSA-N	424.544	6.658	10	10	HKCE	
O=C(Nc1ccccc1)c1ccc2c(c1NC1CCCCC1)C(=O)c1ccccc1C2=O	1615947660	OBDHTMBLIPFKJR-UHFFFAOYSA-N	424.500	5.459	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)cc2)CC1	1860085353	FWJFKWSRFVUELG-XSFVSMFZSA-N	412.555	5.468	10	10	HKCE	
CCOc1cc(N2CCOCC2)c(OCC)cc1N=NNC(C)(C)CC(C)(C)C	1860491752	WFXKJODASCEWLU-UHFFFAOYSA-N	406.571	5.124	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	1865665951	VHOIZFJNRXGNGA-MOSHPQCFSA-N	407.300	6.136	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675843	COQLRKNUAPQEHB-HKOYGPOVSA-N	424.500	5.801	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)nc1-c1ccccc1	1892116296	JKKRQYSTQNRIOK-UHFFFAOYSA-N	424.522	5.725	10	10	HKCE	
CCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	1946825990	DGUHFYRSFRVLEN-UHFFFAOYSA-N	415.625	5.633	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1Cl	2080038462	RFCKNESFORUWDC-LBPRGKRZSA-N	404.816	5.054	10	10	HKCE	
Brc1cc(N(Cc2ccccc2)C2CCCCC2)ccc1CNC1CC1	2095890965	XSFDAYHAWFKOKB-UHFFFAOYSA-N	413.403	6.040	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3F)SC2=S)cc1	2297350470	QOLVMXNLXVJJEO-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321585911	XDXBPYVUZFQMQG-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1	2321601516	DYMAEXOUZXTISG-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	2321658101	DWIMRLRYNJQKQX-UHFFFAOYSA-N	403.528	6.193	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccccc2C(C)C)C1=O	2321665863	FSLKXPZESPYHLI-UHFFFAOYSA-N	413.593	5.542	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323680893	UUTXHYAWKPCTNY-AUZPSNTRSA-N	422.959	5.274	10	10	HKCE	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	6319900	XZCOSZPGYNZLEC-MHWRWJLKSA-N	409.363	5.465	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640661	QROANNOMOQOTJM-GLDPYIMESA-N	408.542	5.385	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465768	WXYZSLCFORXDRN-IMSXRSKXSA-N	400.909	6.419	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467578	LDOXXFZBXDXKGC-SPKLELGKSA-N	403.309	5.227	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471020	CEDREAVASYXIJX-BXTJHSDWSA-N	411.889	5.215	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2	14473680	BZJUAIIRANBGNU-YDIMBITNSA-N	418.518	5.020	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477224	QMFONGLCDORXKD-VFCRVFHLSA-N	404.337	6.235	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477674	HLWSMSMWBABADP-MDOVXXIYSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2C)[C@@H]2CC=C[C@H]32)cc1C	14478847	CMAZSZJPDWIKJC-ZEVJAHDQSA-N	408.545	6.691	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717669	CIHIGOPUGCRNIJ-RQTOMXEWSA-N	416.565	5.784	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3ccncc3)c(O)c2n1	54619508	UQJWRLUMAOYANL-HXUWFJFHSA-N	409.411	5.864	10	10	HKCE	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cc(Cl)cc(Cl)c1	59396765	IYYSWUMEFUALFE-RZNTYIFUSA-N	411.291	5.307	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1ccc(Br)cc1O	701118644	PFZJPMWDTGGRTP-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1C	1084405769	RAHDBOZOCUGVMJ-MFOYZWKCSA-N	423.390	5.881	10	10	HKCE	
CC[n+]1c(C=Cc2ccc(N(C)C)cc2)cc(-c2ccccc2)cc1-c1ccccc1	1857878334	WRTMOCQLDDRXMJ-UHFFFAOYSA-N	405.565	6.564	10	10	HKCE	
CCCSc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859616672	XKNPNEXOSPPTJQ-UHFFFAOYSA-N	401.487	5.216	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(C)c(C)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910232	FQUPPHADGQSGJE-SFHVURJKSA-N	411.501	5.524	10	10	HKCE	
CCOc1c(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	1865670345	VMPWVTRSTLGGDZ-LFIBNONCSA-N	419.308	5.202	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	1865672567	GLQZVDFLHVLHOB-AQTBWJFISA-N	419.422	5.016	10	10	HKCE	
CC(C)(C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)c1ccc(Cl)cc1Cl	1866225353	GFDYFYRWAJYLCO-UHFFFAOYSA-N	413.348	6.083	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915445830	FHJLEGPGTNJCLM-LJQANCHMSA-N	417.391	5.133	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080051656	BSPMJUUVGZJIGV-KRWDZBQOSA-N	412.864	5.363	10	10	HKCE	
CCN(CC)CCN(Cc1ccccc1)c1ccc([C@@H](C)NC)cc1Br	2095882421	XBVXHBKNUDTWKG-GOSISDBHSA-N	418.423	5.078	10	10	HKCE	
CCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1	2293284948	JNLOGMMXZDOACY-UHFFFAOYSA-N	419.293	5.283	10	10	HKCE	
CC(C)Oc1ccccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330221383	NHUAXSROTSUCTD-UHFFFAOYSA-N	414.553	5.880	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2CCC)cc1	2332116576	DMPOGBCOTIVPLN-UHFFFAOYSA-N	424.972	6.491	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O	14460072	LIJIROSYVXXDRU-JXQFQVJHSA-N	418.537	5.244	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14460532	PREVMOAUSPBGCF-UMFSSWHCSA-N	401.937	6.788	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463377	QKPUEGCSEQYURS-KJMJZGGDSA-N	424.610	5.713	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20697280	SNJRPHVIFBZNQP-GEBXHLAXSA-N	424.588	6.938	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1	20759649	LQXNSKYZNIYUML-WTMJVXIESA-N	420.578	5.144	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	20764168	LCFZMGZBQAHALZ-QPPBQGQZSA-N	424.903	5.806	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226892787	QAFAEUFKMAOPRX-OHUGHZGNSA-N	416.565	5.926	10	10	HKCE	
CC[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cc(Br)ccc1O	717982784	WVKPBZPKRFTIIZ-CEWLAPEOSA-N	418.375	5.579	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1Br	1860085985	BJCMIBJHZITIGF-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664370	ACWSIUNJFNIBEE-XSFVSMFZSA-N	420.871	5.318	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O	1865672311	WBBAHBRWZSESPC-OQLLNIDSSA-N	405.679	5.004	10	10	HKCE	
CN[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1	1999540288	OQDLHAMGOCSTJB-DEOSSOPVSA-N	423.601	5.375	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1	2297297121	UWKFSUZKPVWLGT-UHFFFAOYSA-N	410.676	5.049	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	2297348093	HJNKKEKFLVLVMM-UHFFFAOYSA-N	402.545	5.124	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S	2297748683	WHZCYEQMWVXWIG-KRWDZBQOSA-N	401.556	6.316	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	2321664082	DUPODVZSGOTOHB-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc(F)c(F)c3)SC2=S)cc1	2321703760	NYBUOJNIFLVECV-UHFFFAOYSA-N	405.491	5.405	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21)C1CCCCC1	14460448	HWSJEDYPRFYJBQ-AWRGLXIESA-N	420.984	6.571	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462822	CXXNCKQSCBNRKC-FBLLAGFSSA-N	424.610	5.667	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2[N+](=O)[O-])[C@H]2CC=C[C@H]32)CC1	14478177	NEDWPXTWTKOZLA-BSRJHKFKSA-N	417.509	5.293	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14478306	GYNKWOLOQFTLHC-LZCXECNNSA-N	418.537	6.771	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1OC)[C@H]1CC=C[C@H]21)c1ccccc1	14546376	STFPEVZTZOKRTB-WOVHNISZSA-N	424.544	6.188	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548232	FCLITVTXDGRTIV-DYRZZGSRSA-N	412.533	5.902	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21)c1ccccc1	14548711	FOXUOLUOBSOVLU-QFOUMGLESA-N	400.547	6.066	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@H]21	20748979	YRWKWYSITGCRTG-VHFRWLAGSA-N	424.544	6.188	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364376	VINNVBUTIYRXRR-FYYLOGMGSA-N	410.876	5.416	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374351	QLFXOSTUMUCPNI-XXAUWVGASA-N	406.485	7.036	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	226676061	DNAAFAQHAUNIRA-SLSDLSHTSA-N	417.597	5.888	10	10	HKCE	
CC[C@H](Nc1cnc(Cl)c(Br)c1)c1cc(Br)ccc1O	234030242	LDOOZHLAAWHAOC-LBPRGKRZSA-N	420.532	5.529	10	10	HKCE	
CN(C)c1cccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	243072084	ILSQVCYMLJVELE-UHFFFAOYSA-N	407.383	5.599	10	10	HKCE	
O=[P@](O)(Oc1ccc(N=Nc2ccccc2)cc1)Oc1cccc2ccccc12	256341497	WZMMGQCUKZYOCL-UHFFFAOYSA-N	404.362	6.813	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc(N2N=N2)cc1)c1ccccc1	1081165347	HANUGJYYNNCKLQ-DNOXEFQFSA-N	405.461	5.679	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)SC2=S)cc1	1084326893	SATLAJCTBIHRNH-AUWJEWJLSA-N	412.319	5.113	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858590697	FGKSXLUPCNVUFL-JMRXEAOASA-N	402.412	6.554	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1	2296683299	CRXUEBGTKJDOOK-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	2313507389	JHJBOQUMBQNRGY-UHFFFAOYSA-N	408.888	5.119	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321602871	JBTIPEZVWDPCIH-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104776	QNVFTTNMICRGPO-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2CCC)cc1OC	2332124400	ZLSOTWPVPHTENO-UHFFFAOYSA-N	400.563	5.692	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2cccc(C)c2)cc1	2332140967	AMQLLUFWMCBOIX-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	1461977	OATPWHYBWFRJDD-LXIYXOSZSA-N	407.682	5.771	10	10	HKCE	
O=C(CCc1ccccc1Cl)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	10012840	OAVUPRNVXUXWCW-CYYJNZCTSA-N	422.941	6.201	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O	14457565	LHEPLQWUIOJSOG-DFIYOIEZSA-N	412.489	5.480	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463600	UDZAJXPAWKIMIR-NLJOTIRTSA-N	408.545	6.889	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14463786	VLRSSTLOKYWSPF-WFIHMLKPSA-N	416.524	6.919	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCCCCC1	14464604	XGGXAOCNXKAFPP-AGJHTDJMSA-N	422.572	6.683	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471610	PPLNAXGDAAQHDP-SXWKCWPCSA-N	411.461	5.674	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475325	KBZVLYRMQROZBR-OHTANWTRSA-N	424.544	5.575	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547029	MBVCNRSYACWQSL-LRAJWGHMSA-N	401.337	6.414	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2)c1ccccc1	14550640	XSDKGJMCKGYONJ-XFAFFCHDSA-N	424.544	6.188	10	10	HKCE	
COc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCC(=O)O)C1=O	16926455	PHEZFFSMTWPTAX-SDXDJHTJSA-N	421.584	5.102	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	58883548	LGBMOMLHFYWXMX-PXLXIMEGSA-N	403.522	5.165	10	10	HKCE	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2cccc3ccccc23)o1	96475543	CEPJKFDAQFVSJZ-HKWRFOASSA-N	412.470	5.045	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	206718448	LFHAANYTESIUIS-XDJHFCHBSA-N	413.564	5.165	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2)c1ccccc1	226637349	KYYSMRZXLCAHFA-FHAGJXEFSA-N	412.489	5.201	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1	254394090	AFLVJSJCGOFTTI-UIBSFBHYSA-N	407.642	6.540	10	10	HKCE	
CCC(=O)Nc1cc2c(cc1N=Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2CC	254485114	FRLJSCUIZQVGFD-OAHLLOKOSA-N	423.517	6.471	10	10	HKCE	
Cc1cc(NCc2c(O)cccc2Br)ccc1NC(=O)OC(C)(C)C	706841948	FZYNGWKWPLGZOI-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
COc1ccc(CN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1858587620	PYSLZLJHQZCCRF-OQLLNIDSSA-N	410.347	5.403	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)cc1	1860085569	ADTKAVRZNXLXCR-XMHGGMMESA-N	423.563	5.227	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3C(C)C)C2=O)cc1	1860086526	OCRMTEOGMPEENX-RCCKNPSSSA-N	410.608	6.062	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080025577	QJANDOHBYLQHOQ-SFHVURJKSA-N	404.938	5.333	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H](C)c2cc(Br)cs2)c(Br)c1	2186636481	MRFIVQIPTPLINV-UWVGGRQHSA-N	419.182	5.524	10	10	HKCE	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(Br)c(Br)s1	2281264553	VTJHKOZFXBKBLV-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCSc1ccc(Cl)cc1	2296740824	XTGHAHWUJHCDBC-UHFFFAOYSA-N	417.937	5.248	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc4ccccc34)o2)SC(=S)N1c1ccccc1	2297448975	UURAOFHREGQCGM-UHFFFAOYSA-N	413.523	6.506	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672378	BHRWCQQHZXDOQN-UHFFFAOYSA-N	406.507	5.975	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cc(F)ccc3F)C2=O)cc1OC	2321758067	GNZMRUJPKSWVFX-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332104788	RTCJVYALSMNTRE-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC	6721615	NOPNGIPQCQNRQM-NBGIEHNGSA-N	416.477	5.042	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc(Cl)c4C)[C@H]4C=CC[C@H]43)ccc21	13642454	UNTZAXUCPOXNRN-SRLOGKKOSA-N	412.964	7.603	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456573	XFTOPUTYNRZMPY-FZOAFFARSA-N	414.574	5.856	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14545561	NOHZBSDKXAAIIE-XLNZFTOWSA-N	402.538	5.538	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548289	JNSAZSCBQBWQFO-ISJBWFOZSA-N	412.533	5.902	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)c1	14550405	RHRNWTZKVCXPQX-JCYRPKCISA-N	424.544	6.391	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	14551173	CIBZGPSMXNRKIV-AWRGLXIESA-N	402.519	5.314	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20697771	ZFIFPFVCBFKAHA-PLXFJCCSSA-N	408.545	6.889	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20713549	GYNKWOLOQFTLHC-IPVFLDMMSA-N	418.537	6.771	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc(Cl)c1	33314409	DLLKYHVMSKOMKC-WQRHYEAKSA-N	415.898	6.145	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1	54620724	KTSAEMPMHBRMPI-QHCPKHFHSA-N	412.489	5.709	10	10	HKCE	
CC(C)c1ccc(N2CC[C@H]3CCCCN3[C@H]2c2cc(Cl)cc(Cl)c2O)cc1	253607330	MNROYYGFKZTBDO-WZONZLPQSA-N	419.396	6.586	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1C[C@@H]1c1ccccc1F	253615896	KOWVPEUFOVWSBP-XLGIIRLISA-N	411.476	5.694	10	10	HKCE	
Cc1[nH]c2nc(C(C)C)nc(NC3CCC(C(=O)C(=O)c4ccccc4)CC3)c2c1C	616216416	DRULJMIURXXECL-UHFFFAOYSA-N	418.541	5.121	10	10	HKCE	
CCc1c(C(C)(C)C)nn(Cc2cccc(Br)c2O)c1Br	2079834358	HLDRSWOHJGJIOH-UHFFFAOYSA-N	416.157	5.022	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccccc23)SC1=S	2293215244	MAJDZZVVXRHFIM-UHFFFAOYSA-N	422.575	5.250	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1	2294265289	AOWYHARXDVKCKE-UHFFFAOYSA-N	417.892	5.829	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12	2313682214	XWXBJCKRBDBMKI-UHFFFAOYSA-N	420.944	5.430	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1	2321585885	QONPXXJFQCITOQ-UHFFFAOYSA-N	424.591	5.137	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)c1	2332141034	CXYXMNJHDHDKGZ-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
CC(C)[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729938	PMAFALHVXTYBAT-HKUYNNGSSA-N	407.739	5.314	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639415	RPJCXAQVLGWRIQ-SVMVAKDDSA-N	411.343	6.014	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)OC)cc4[C@H]4C=CC[C@H]43)ccc21	13642544	SIKQHTCFIBXJGO-FCDUAZGNSA-N	422.528	6.428	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461434	BFLYBHYHGLJMCE-BXTSTYNKSA-N	410.561	7.152	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCC4CCCCC4)ccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	14464456	VLTPDPOMKKRNAR-XXJPWZBZSA-N	423.600	8.016	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466259	DUSZQANIBSFKCJ-FSTVOOFJSA-N	408.929	5.075	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467703	VEKLQTGMYZUJFS-AUSJPIAWSA-N	406.309	5.551	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548221	NHNOMIVXQPRUTN-BNIKKZEQSA-N	401.506	5.787	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	14549158	KCTFBQCMQXJCDK-VHFRWLAGSA-N	407.513	6.837	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550291	VNKZKGRPJUIEQV-YZUZCNPQSA-N	402.538	5.584	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753365	VJVBPOWBQPHFRH-SWYRRKHMSA-N	422.484	6.736	10	10	HKCE	
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccccc1Nc1ccccc1	59397635	QJZCVPOWIJRZBP-ZHZULCJRSA-N	422.962	6.489	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C)C1=O	210691168	UGZAECCLJFUFLI-UULHFOEUSA-N	422.575	5.171	10	10	HKCE	
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	1084300242	QWVXHUMVAVZRBK-UHFFFAOYSA-N	405.439	5.137	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1	1858593962	FWJAYCJYCIBODA-BCIXFCFJSA-N	422.619	5.287	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(C)c(C)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910231	FQUPPHADGQSGJE-GOSISDBHSA-N	411.501	5.524	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(F)ccc3F)C2=O)cc1	1860087140	CJZHKYMHARSFCR-WOJGMQOQSA-N	404.507	5.217	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	1860087623	KKPRJWXESADCOA-MHWRWJLKSA-N	424.469	5.057	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664994	WCZYRWVWFLVWFC-LFIBNONCSA-N	407.728	6.229	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccccc1F	1865666313	JKWCPVOOVAGCPY-UYRXBGFRSA-N	406.844	5.015	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)c1	1865668818	RDCUMVCWFBXAIL-BWAHOGKJSA-N	410.517	5.614	10	10	HKCE	
CCCN1N=C(CC)/C(=C\c2ccc(OCCCc3ccccc3)c(OC)c2)C1=O	1865671121	LGXUHHCUVWTGRY-HEHNFIMWSA-N	406.526	5.108	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=C2CCCC2)sc(C)c1-c1ccc(Cl)cc1	1866183280	GONMTQSNCSSLFR-UHFFFAOYSA-N	403.931	5.993	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(Cl)cc1	1866245819	HWFYJUUZVQGUIN-GUYCJALGSA-N	419.974	6.318	10	10	HKCE	
CCc1nc2ccc(F)cc2c(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c1C	1866275002	KCCUNUSDZMUKHE-UHFFFAOYSA-N	415.468	5.872	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C(F)F	2079695177	WQNUEPUSNCDFRR-UHFFFAOYSA-N	413.184	5.479	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2ccc(Br)cc2O)c1Br	2079712072	KNZLPYNNYRDTHV-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2095920781	JWYLCHFEVDKGRD-SFHVURJKSA-N	417.435	6.562	10	10	HKCE	
Cc1cccc(COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)c1	2293453421	BNZQEYRWGMRXKZ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
Cc1ccc(Oc2cccc(C=C3SC(=S)N(Cc4ccco4)C3=O)c2)cc1	2294821389	SFGMNIROFLKUND-UHFFFAOYSA-N	407.516	5.782	10	10	HKCE	
CC1=NN(c2ccc3ccccc3c2)C(=O)C1=Cc1ccccc1OCc1ccccc1	2296827863	XMPNIJKAFONFBU-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
O=C1C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1	2297450344	OGSXRAQJSNLIAK-UHFFFAOYSA-N	420.874	5.262	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332120792	OKDBPRDEUBBYRF-UHFFFAOYSA-N	417.896	5.510	10	10	HKCE	
O=C1C(=Cc2ccccc2O)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	2332140598	UXWLRPZPZWDTSK-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14466445	UNVLSDIXVDXOPY-YZIHRLCOSA-N	417.936	6.624	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14545480	FVAWLYDWWOVSCS-DFIYOIEZSA-N	416.565	5.974	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548197	PBHZTCFXLNLYRS-ISJBWFOZSA-N	401.506	5.787	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549441	BUSPBABKZPLKME-LFTSVMJQSA-N	419.568	7.997	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	20698730	OMNAGYWTTHIUHZ-RWCIVJTCSA-N	422.572	6.729	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1O	1860085139	PWKPZKSXDXRALB-XDHOZWIPSA-N	423.515	5.056	10	10	HKCE	
CCCOc1ccccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860485759	WRPNFVSEVVBSNV-BYYHNAKLSA-N	414.553	5.881	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	1865664241	HRBHFRSEMJVJLU-BOPFTXTBSA-N	406.835	5.808	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1C(=O)O	1865674192	RWZISMAATQJQCE-XNTDXEJSSA-N	403.265	5.278	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccccc3OC(C)C)C2=O)cc1	1865676181	VUJNMWYMLSIICB-PDGQHHTCSA-N	402.416	5.126	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(Br)cc2O)cc1	2089182201	RCHILRJQMMDAQI-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2095951890	MPZXPZXAKJPSHB-RBUKOAKNSA-N	417.435	6.561	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100222640	KMIAUYJSAAYOCH-LPTQZCDUSA-N	417.391	5.289	10	10	HKCE	
CCN[C@H](c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)c1ccccc1O	2146240877	MLKAEDORBIOTJX-QGZVFWFLSA-N	411.329	5.745	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1	2154529481	QYQZBPXEOGMTNT-IBGZPJMESA-N	405.369	5.376	10	10	HKCE	
Cc1ccccc1COc1ccccc1C=C1SC(=S)N(c2ccccc2)C1=O	2293692938	VVYWQYNWOWNVAW-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=S	2295196155	YSPKQKWJPKHKKR-NSHDSACASA-N	418.996	5.673	10	10	HKCE	
O=C1C(=Cc2cccc(Br)c2)SC(=S)N1c1ccccc1Cl	2296397886	FLYYKVDTBZTYNU-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	2321607269	PHRVLIORIIZHKW-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2332133305	XVWGMXFBUPRBFH-UHFFFAOYSA-N	417.896	5.510	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134150	PALKTGMTBZYAHW-UHFFFAOYSA-N	416.864	5.365	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1	2332141449	XPHASFKYSUNQOC-UHFFFAOYSA-N	409.205	5.106	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(Br)c(Cl)c2)c(O)c1Br	2380741544	IGAUWPGUDRMXOX-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
CN(C)c1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	3741825	GAQQNRFLCOQARI-UHFFFAOYSA-N	424.504	5.449	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3cccc4ccccc34)[C@H]2C1	14464436	CRYCAARLGIRDSX-YRLRHBCXSA-N	403.525	7.245	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)c1	20709282	HGLCRCDCTRJZDU-VHCOLVSPSA-N	411.672	6.087	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21	20752813	LDEYEZRUJFHKEB-NRYAXDJKSA-N	400.547	5.547	10	10	HKCE	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	33368981	VIISGLPHBCWZQS-ATVHPVEESA-N	406.429	5.422	10	10	HKCE	
COc1ccc(C2=C/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O2)cc1	59425896	WAAVMDGEYMXWIC-WJDWOHSUSA-N	403.390	5.153	10	10	HKCE	
COc1ccc(N2CCN(c3nc(-c4ccccc4)nc4sc(C)cc34)CC2)cc1	96204495	UIROLEUSPSWETR-UHFFFAOYSA-N	416.550	5.002	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	103044706	QQRLPINOIZKSRR-SBNGLSRPSA-N	407.424	5.398	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226725405	ZFIFPFVCBFKAHA-UMFSSWHCSA-N	408.545	6.889	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226895842	SOUFZDXNVHOSST-SWYRRKHMSA-N	412.533	5.854	10	10	HKCE	
COc1cccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1	526148066	SCAHTHCPDXKRKZ-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cc(Br)ccc1Cl	715736206	GWCURHJYBQEZRB-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(Cl)c(Cl)c2)c1	1083904062	YMDPCKUPWYKLIC-UHFFFAOYSA-N	402.119	7.174	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1	1865669529	OBMOUFQAGYMOHM-SFQUDFHCSA-N	403.309	5.978	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OC	1865671281	UETPBFKQLYHVLN-QNGOZBTKSA-N	406.526	5.160	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	2040464820	GOHNNPWQCNZHHD-UHFFFAOYSA-N	423.438	5.919	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100219282	JUPPBXHSIPDLPQ-VXKWHMMOSA-N	417.391	5.131	10	10	HKCE	
C[C@@H](N[C@H](C)c1ccccc1O)c1cc(Br)c(Br)s1	2266536091	WZTDLROUDQDNJK-RKDXNWHRSA-N	405.155	5.391	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S	2321687335	OOWRGQLCJSAUSP-UHFFFAOYSA-N	405.928	5.240	10	10	HKCE	
Cc1ccccc1COc1ccc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1	2332133361	FFESMAXZQKZRMX-UHFFFAOYSA-N	416.443	5.374	10	10	HKCE	
C[C@@H](NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)c1ccccc1	6782013	MSSMVLNULHDOPY-OAQYLSRUSA-N	420.556	6.514	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14460565	CSWWPAXILKNZPF-HWBMXIPRSA-N	417.936	6.624	10	10	HKCE	
O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	33367596	OFTOFHFKMMIUQE-POHAHGRESA-N	422.267	5.421	10	10	HKCE	
CC1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(C(C)C)C2=O)CC1	40562495	WUMRYNQTIVBHHS-UYRXBGFRSA-N	411.596	5.081	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cc(Cl)cc(Cl)c3)c3cccnc3)c(O)c2n1	54621564	LBNFXNNJMUWXBS-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21	226846165	GGZSGQUPAAJAKB-RNHFSVANSA-N	410.517	5.191	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385514866	PZVZXNONONFJRW-KRWDZBQOSA-N	401.392	5.754	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1	526299872	NFTSKFLOCGSJAN-AREMUKBSSA-N	420.512	5.963	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c(O)c1	1860084103	DLYZEEDKKXZACF-OVCLIPMQSA-N	424.316	5.008	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	1860085413	JIPIGUFAPWMRLE-RCCKNPSSSA-N	424.591	5.337	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccccc1C(F)(F)F	1860086435	HQNRPUUCRYSQHJ-RIYZIHGNSA-N	401.381	5.389	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(Nc3ccccc3)cc2)C1=O	1860086588	TVFIBMOEEOOXNI-RCCKNPSSSA-N	402.544	6.144	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1OCC	1865666609	OMINTIPOPLLLDE-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O	1865673877	BXQSMEAZUHEDFO-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	1865678415	LHEUXBIVQZJQSL-UYRXBGFRSA-N	423.299	5.837	10	10	HKCE	
O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891712844	KAOAIGZDCSJIPW-OFVILXPXSA-N	412.533	5.038	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1Cl	1891951863	PITFZXXMDSUBGJ-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2034754398	LUEBAXVEGQBENA-UHFFFAOYSA-N	401.392	5.898	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C=O)c2Br)C2(C)CC2)cc1C	2080025398	PCXFYBOFZVXHLR-SFHVURJKSA-N	419.363	5.468	10	10	HKCE	
CN1C(=C2SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccc(Cl)cc21	2295196167	ZKLWNRAIXBCVFA-UHFFFAOYSA-N	408.932	5.255	10	10	HKCE	
Cc1ccc(OCCn2cc(C=C3C(=O)Nc4ccccc43)c3ccccc32)cc1C	2297318984	HPJBXOSIWYCFAK-UHFFFAOYSA-N	408.501	5.830	10	10	HKCE	
COc1ccc2ccccc2c1C=C1SC(=S)N(c2ccc(N(C)C)cc2)C1=O	2297512819	AUDLYKWLUIIFAF-UHFFFAOYSA-N	420.559	5.320	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N(C4CCCCCC4)C3=O)n12	2323739917	AQBRUACFAKJZPM-UHFFFAOYSA-N	412.005	5.282	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332139990	PTBJTIYMERNKKM-UHFFFAOYSA-N	423.560	6.299	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14465411	GGGIILVMTWLXQK-FXSPECFOSA-N	401.937	6.788	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549226	SMVBVCZQWZJDHO-WZOHSFFVSA-N	416.351	8.126	10	10	HKCE	
COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O	20070747	SKXNYHUOXSATSX-MBSDFSHPSA-N	422.868	5.002	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)NC(C)C)cccc2[C@@H]2C=CC[C@H]21	20719126	XJSNSIUDXATBAQ-JDRJUVJTSA-N	412.533	5.813	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20759595	IVOVWCHWOYEMSQ-RQTOMXEWSA-N	418.606	6.251	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362908	UELUDUHRLBGDFP-ISKFKSNPSA-N	422.912	5.285	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)cc1	59381965	SXIOSUZPKPFQMQ-QFIPXVFZSA-N	409.316	6.757	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226637775	QCQBYXCEPLZWMM-UNKHORCTSA-N	409.526	5.716	10	10	HKCE	
C[C@H](Nc1ccc(Cl)cc1I)c1ccc(N(C)C)cc1	232234831	KNWSDJOWZMZARA-NSHDSACASA-N	400.691	5.184	10	10	HKCE	
CCCCOC(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccc(N)cc1	244138266	UNSOABJHOOHTRY-UHFFFAOYSA-N	403.482	5.596	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	250207218	WHIYVVMAIJFQJO-YDIMBITNSA-N	417.509	5.438	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1C[C@@H]1c1ccccc1F	253615894	KOWVPEUFOVWSBP-TVZXLZGTSA-N	411.476	5.694	10	10	HKCE	
Cc1nn(C(=O)c2sc3ccccc3c2Cl)c(C)c1N=Nc1ccc(F)cc1	1088730249	LLLXDEMQAHNBSU-UHFFFAOYSA-N	412.877	6.611	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)SC1=S	1858590863	MGUXMLGDCKMHHX-BKQORJHRSA-N	402.585	5.737	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656398	IMBHCNQPRLKTDS-LDADJPATSA-N	401.279	5.170	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865668108	GVSMZMTWFJNCRC-PDGQHHTCSA-N	422.834	5.867	10	10	HKCE	
Oc1c(Cn2nc(C3CC3)c(Br)c2C(F)F)cccc1C(F)(F)F	2079002384	IFYIDKNTGYNYQL-UHFFFAOYSA-N	411.168	5.233	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1CC	2293677367	GWMJVERUJMVGNI-UHFFFAOYSA-N	404.539	5.748	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S	2313507642	YRNPNQJWEWBUNV-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321748950	JNKCKRRRXGLJSQ-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332122218	GRRDRUZLLPDBGM-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(F)cc2F)cc1	2332129812	PQVPLCQVLTYBIT-UHFFFAOYSA-N	424.834	5.461	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)cc3)[C@@H](C)CC)ccc21	3585619	UCIASRUJXHMOLB-FQEVSTJZSA-N	409.643	6.155	10	10	HKCE	
CCCCc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)cc1	4885022	FGDCNQYKVZOBIF-UHFFFAOYSA-N	405.969	7.295	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(N)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642252	XXAFCHFACQILFH-QRRVGDGBSA-N	407.517	5.740	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469689	LLJDMHPKUSZSEN-HFMPRLQTSA-N	414.461	5.706	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476425	NHHMHFVAOQMJHW-LLJLJFOGSA-N	414.461	5.706	10	10	HKCE	
O=C1/C(=C\c2ccc(SCc3ccccc3)o2)SC(=S)N1Cc1ccccc1	96482009	KDUNURVZQRPFRY-CPNJWEJPSA-N	423.584	5.973	10	10	HKCE	
CN1/C(=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)C(C)(C)c2ccccc21	102141336	BMZQFNCMSYZEPQ-IWXNDQKYSA-N	420.603	5.285	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385533881	ARQLETGLQPIYBG-MSOLQXFVSA-N	415.419	6.315	10	10	HKCE	
COc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1	1860483071	BNDMRUVVUMSURN-CYYJNZCTSA-N	416.525	5.110	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079034902	UZNGLHWERXSKFO-SFHVURJKSA-N	406.954	5.660	10	10	HKCE	
Cc1ccc(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c(O)c1	2079717398	XBRXRCIBRNQYPK-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CN)c2Br)C(C)(C)C)cc1C	2080006295	KIDYCENBYCQIRE-GOSISDBHSA-N	420.395	5.114	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3C)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2294953950	JGZILYFFRVQQML-UHFFFAOYSA-N	407.473	5.319	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccc2ccccc12	2313499109	MKYPCSMAFNRNOO-UHFFFAOYSA-N	403.865	5.370	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1C1CCCCCCC1	2323725266	BNUGQWNSJVEIDW-UHFFFAOYSA-N	410.402	5.763	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)ccc1OC	2323865061	CEOXHWXZKHWSLG-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CCC)cc1OC	2332125874	YIWCAPYIRNNOIL-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
O=C(CCC(=O)c1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	10909381	FSPWRVDUIURMIO-HHHXNRCGSA-N	409.485	5.414	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2)c1ccccc1	13638256	YDJAEHDIBUHYHV-UMFSSWHCSA-N	410.517	5.885	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641894	YRKUFZZWXPURSB-XFAGBWLFSA-N	422.525	5.278	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)cc2)[C@@H]2CC=C[C@H]32)CC1	14465257	WSEDJNUBHVGRLB-MIZPHKNDSA-N	406.957	6.039	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1Cl	14476887	DDXYSCCSUVVTDE-HOOSLVGPSA-N	407.344	7.564	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]23)cc(Br)c1OC	16448290	OTACQGMJJDPBBO-SNUQEOBHSA-N	420.734	5.946	10	10	HKCE	
CCOCCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	20857893	IFRVFWVIXRQBNH-UHFFFAOYSA-N	419.525	5.258	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O	34145282	CJOVWWBJTBBBSU-JXAWBTAJSA-N	418.290	5.626	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=S)N1Cc1ccc(Cl)cc1	35516976	NMBSUTPXECNVND-UNOMPAQXSA-N	411.935	6.637	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226637505	BERUHYLDXGWTBR-DXBVXKBHSA-N	413.517	5.980	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	226906871	DIQATWDVIANZFU-YKXHDTGTSA-N	415.364	6.348	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1ccc(Br)cc1Cl	715737319	LIOAMZZZODYOCC-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
COc1cc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)ccc1OC(C)C	1865671794	DXVXONMXQQLOPW-MHWRWJLKSA-N	416.880	5.077	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(Cl)nc2)sc(C)c1-c1ccc(C)cc1	1866000876	KZDQRVIQVWILBW-UHFFFAOYSA-N	400.887	5.119	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)[nH]n2)sc(C)c1-c1ccccc1	1866122035	WEHSDTPKERSNJX-UHFFFAOYSA-N	417.490	5.153	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	1866162404	CKJXHZIMCSAWNZ-INIZCTEOSA-N	422.550	5.654	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2c(O)cccc2Br)c1	1925133197	QRTMLRIYTFZHHW-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
Oc1c(Cn2nc(C3CCCCC3)cc2Br)cccc1C(F)(F)F	2070059964	ZPBQLKCXPGOISI-UHFFFAOYSA-N	403.242	5.466	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1O	2321569950	LAXAHUGIALPJHP-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)cc1	2321703738	CTTHJMCXQRGFJF-UHFFFAOYSA-N	415.605	5.849	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323791171	WVXAFGVOORMZFS-YGRLFVJLSA-N	414.365	5.368	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCC)c(OC)c1	2332124457	DRYSGZUFZBFMDC-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(F)cc1F	2332129625	WFEUCPISIACHOZ-UHFFFAOYSA-N	409.263	5.854	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332140074	ZBZSRYMHOAAFER-UHFFFAOYSA-N	423.560	6.218	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCCC2	2909643	FLMHQLHOKNUPQB-UHFFFAOYSA-N	412.580	5.952	10	10	HKCE	
C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782033	ARQSNFGBSPBECS-NBGIEHNGSA-N	412.577	6.332	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	14473471	PIYOCVMSYSDOKK-HYFFOGBASA-N	423.900	5.311	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	19892407	UBWFCBDFUHQSOA-OTNCWRBYSA-N	411.501	5.879	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20754473	FGKOFPHZVQGCBV-MKHKVULQSA-N	412.508	6.143	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)c1	20755491	UBDWBIAJIHJVQM-LGVFNWMJSA-N	402.538	5.394	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1cc(C)c(C)cc1C	40942136	FAGAJJOFHCGJHJ-RGVLZGJSSA-N	413.564	5.078	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364412	VTSDQDUDNJIKOD-UPVQGACJSA-N	424.903	5.806	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	169617888	ZOJXXDRSGRXKGD-JKIFEVAISA-N	404.691	5.627	10	10	HKCE	
O=c1oc2ccc(N=Nc3cccc4ccccc34)cc2cc1-c1nc2ccccc2[nH]1	254384561	BUVVMMAYHWYIST-UHFFFAOYSA-N	416.440	6.905	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	526501077	UQEWMVJNEWZJLD-VWLOTQADSA-N	423.468	5.617	10	10	HKCE	
CC[C@@H](Nc1cccc(Br)c1Cl)c1cc(Br)ccc1O	690788078	DYIINGPPEPBMBI-GFCCVEGCSA-N	419.544	6.134	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(C)c1	1083940797	FDUSZKQFUUNXIT-MHWRWJLKSA-N	404.354	5.472	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	1858590005	STIUIGQYMZEGKO-FEMZRVCOSA-N	423.603	6.046	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S	1858591128	YUGFZEURRFEEMR-KNGSKEOJSA-N	407.630	5.573	10	10	HKCE	
Cc1cc2[nH]c(=Nc3cccc4c3C(=O)c3ccccc3C4=O)oc2c(C)c1Cl	1859832690	HDEYXIYGERZKJD-UHFFFAOYSA-N	402.837	5.039	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	1860084938	ZYYKHXKERPVJQT-CXUHLZMHSA-N	409.363	5.465	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OCC	1865665376	PYDITMXNPLJTRT-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CCC)cccc1OC	1865668484	ABIMWYLHDBMMEO-XDJHFCHBSA-N	410.489	5.205	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669316	IEVMYIZKNPBARA-KGENOOAVSA-N	403.869	5.120	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865677135	XVWGMXFBUPRBFH-XDJHFCHBSA-N	417.896	5.510	10	10	HKCE	
CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](N)c1ccc(N2CCCCC2)cc1	1977940656	DIQMAOAWXHTKSB-HSZRJFAPSA-N	409.574	5.114	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@H](N)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1977941817	PVYSFMYEAVNCNY-QHCPKHFHSA-N	409.574	5.114	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2095950700	DQIKNOYWISCLPU-RBUKOAKNSA-N	417.435	6.561	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S	2294732681	ASPDZIWNGOYSKH-UHFFFAOYSA-N	424.330	5.044	10	10	HKCE	
CCCCOCCCN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323743859	DHBPYKDITSEAFX-UHFFFAOYSA-N	404.384	5.401	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332104313	VFFUPUCYWJXUOH-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
O=C1C(=Cc2cccs2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332127800	JCQPBKBCLQPQEW-UHFFFAOYSA-N	413.329	5.885	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457465	GUTXSBQBNRZRON-RLSLOFABSA-N	418.537	5.099	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1	14463522	DUNKFQTUGAZCEW-WOLJRWFJSA-N	416.565	5.545	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465764	WXYZSLCFORXDRN-HFMPRLQTSA-N	400.909	6.419	10	10	HKCE	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccccc1Cl	33601698	FLYYKVDTBZTYNU-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	59378463	VKGDIICKXUANNY-LZYBPNLTSA-N	423.390	5.881	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)ccc21	226636958	NZEXAJXHGNEMQC-FXABVQRQSA-N	409.489	6.549	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226704345	IOMDTXAPFMGKGM-ONBPZOJHSA-N	416.609	6.899	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226712395	BFLYBHYHGLJMCE-QQNWGBJXSA-N	410.561	7.152	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	253562455	DHHPXZADNWDBKI-AMBYYYRHSA-N	402.925	5.745	10	10	HKCE	
CC[C@H](Nc1cc(Cl)cc(Br)c1)c1cc(Br)ccc1O	308318223	FKNHKKHBJXKCCO-AWEZNQCLSA-N	419.544	6.134	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1	526245668	GXBCPXQIIKDNRF-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
CC(C)N(C(=O)c1cccc(Cl)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889060	IGNSOWGHROKREP-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(/N=N/c2ccc(OCc3ccccc3)cc2)CC1	1860485358	FQKVBTHYZTXCQU-OCOZRVBESA-N	410.518	5.207	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cc(Cl)ccc3O)C2=O)c1	1865666102	CVJIBMMPRLVQFU-HMAPJEAMSA-N	416.908	5.493	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccccc1	1865669322	IOXCRGNISWHEPV-KGENOOAVSA-N	406.526	5.312	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1-c1ccc(C)cc1	1865956173	UYCACZUATOYGQF-UHFFFAOYSA-N	415.514	6.224	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2095921617	YYFIFOYSROJAAU-UHFFFAOYSA-N	417.435	6.247	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(CCC3=CCCCC3)C2=O)cc1OC	2323839867	JKWZVSTZQYMSPZ-UHFFFAOYSA-N	403.569	5.186	10	10	HKCE	
CCOc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	2330164845	JVSOIXMQMJBDRE-UHFFFAOYSA-N	400.526	5.491	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1OCC	2332113808	LYQUXBXWDQHBCY-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)c1	2332119248	RYKVAMFAVYOMPH-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	13641592	IBJMTWVXQIJPSC-IXFSTUDKSA-N	409.526	5.718	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458114	QXQNEPALSHPYQS-QZTZHPFYSA-N	408.973	6.830	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476812	ZYHIBTIYJOIMNB-DQCZWYHMSA-N	424.544	6.441	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479455	QIRXAVBXZRZIBZ-JXQFQVJHSA-N	418.537	5.156	10	10	HKCE	
COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O	20070739	MNFBIVTZUKIBJQ-FDDCHVKYSA-N	422.868	5.002	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1	20763488	RUVSDLFTMKWXDI-OXJNMPFZSA-N	413.340	5.439	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	33634718	FWFJVHPGEJVBDT-YICNLQCZSA-N	412.518	5.165	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(Br)cc1Br	36957030	CIRZJMWTYRDHCE-IINYFYTJSA-N	411.137	5.886	10	10	HKCE	
Cc1ccc(-c2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2)cc1	40852402	SQAZVXZIWACIBT-UHFFFAOYSA-N	420.464	5.947	10	10	HKCE	
CCCCOC(=O)c1ccccc1NC(=S)N(c1ccccc1)c1ccc(N)cc1	243114333	JGKFXCMHCLZQHP-UHFFFAOYSA-N	419.550	5.761	10	10	HKCE	
CC[C@@H](NCC[C@H](C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	379641864	YPPWRWKHLHZZDG-OXJNMPFZSA-N	405.380	5.106	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	1865665579	BGDLSYUNJBBKEK-PDGQHHTCSA-N	423.299	5.842	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccc(F)cc1	1865678712	AJICSRYKODJHSD-STZFKDTASA-N	424.397	5.675	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1	1865907605	GWSVFRLBZOXHEW-NTEUORMPSA-N	421.518	5.479	10	10	HKCE	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cc1ccc(N)cc1	1865957042	QVNOAHRFGXJQKV-UHFFFAOYSA-N	414.914	5.009	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(C)(C)C)c2)sc(C)c1-c1ccccc1	1866197184	LHINSNCBRKEUNQ-UHFFFAOYSA-N	407.535	6.060	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	2034709010	CEVVBPSZXMLTPO-UHFFFAOYSA-N	415.297	5.518	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080055090	ZWDZRIGBZITDKB-INIZCTEOSA-N	412.864	5.363	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S	2293253071	SVGGOLDGOQMYPO-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
COc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2ccccc2Cl)c1	2297300496	JAPSPRXAQQQAIH-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323680457	DKXHGOONWZNOPD-ZJQBRPOHSA-N	412.407	6.019	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1c1cccc(Cl)c1	2332100106	LOLYRYKGFKNFOT-UHFFFAOYSA-N	411.263	5.967	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	2332104833	WLVCOQVDBUFYLD-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131496	ZYKSEHBGGZZQSC-UHFFFAOYSA-N	410.945	5.957	10	10	HKCE	
CCN(CC)c1ccc(C(c2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1	5316415	XXWVEJFXXLLAIB-UHFFFAOYSA-N	414.637	7.176	10	10	HKCE	
CN(C)c1ccc([C@H](Cc2ccccc2-c2ccccc2)n2nnc3ccccc32)cc1	5393744	XKAOFTRNYITPHS-NDEPHWFRSA-N	418.544	5.996	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13644799	STTQQGNHVOPDNP-BXTSTYNKSA-N	416.609	6.928	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466696	GCEGGVGBEWRVRS-KHCICDEESA-N	408.973	6.429	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471616	PPLNAXGDAAQHDP-MZKRTTBSSA-N	411.461	5.674	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475527	ABNFYAWBNYOQCM-FHAGJXEFSA-N	416.952	7.058	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544510	OHGXMLZVAOGPCS-PBDKAQRYSA-N	412.533	6.414	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	14545307	SQVJXVXUAYDOMJ-BXTJHSDWSA-N	417.290	5.516	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@H]2C=CC[C@@H]21	14545842	YRWKWYSITGCRTG-BERHBOFZSA-N	424.544	6.188	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20719137	GVVVYBGUVWTBBV-UTAZYMRLSA-N	412.533	5.815	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764549	KFXUAGFVRDWBHE-GGAORHGYSA-N	410.876	5.416	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1CCc1ccccc1	33316078	IMGWGSZOAFPPDB-XNTDXEJSSA-N	410.347	5.143	10	10	HKCE	
CCOc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1	54619061	LCDNOSBMXCDZQK-HSZRJFAPSA-N	402.469	5.988	10	10	HKCE	
CC1(C)C(=O)[C@](C)(/N=N\c2ccccc2)C(=O)O[C@@H]1c1ccc(Br)cc1	100795940	VKTSNZBINKWISR-FUYMWXAJSA-N	415.287	5.185	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\C(Cl)=C\c3ccccc3)SC2=S)cc1	210165232	OVMFLRGXVDCBHS-DARJFKRNSA-N	414.939	5.174	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(Cl)s1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911476	YUHDEJXCPFASSD-ZDUSSCGKSA-N	423.921	5.622	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666688	SADUXGFGIFCYDN-XNTDXEJSSA-N	405.679	5.004	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676821	MBNZOHHUEMTVCJ-XNTDXEJSSA-N	418.280	5.484	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1Br	2079999761	LYNHZWUAYUFPLH-ZDUSSCGKSA-N	421.335	5.022	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)c1Br	2157020483	RMVGGVYJVXJVFM-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2294034538	BSTSKKAJTLBLHS-UHFFFAOYSA-N	406.240	5.010	10	10	HKCE	
O=C1SC(=Cc2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1	2295146361	SFMGKYUQWOKJDC-UHFFFAOYSA-N	410.676	5.049	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)c1OC	2296024793	DXHAAXPSRYKPLP-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2321601653	WTDLPOOANOTQKE-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	2321643769	KGNUCCIKXRWCFM-UHFFFAOYSA-N	424.635	6.058	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CCc1ccc(O)cc1	2323675029	YJWCPIMSWXBCDF-UHFFFAOYSA-N	410.347	5.143	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3cc(Cl)ccc3O)C2=O)c1	2332107455	FWYPZNNLNIKQLZ-UHFFFAOYSA-N	408.807	5.007	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)c1	2332116770	XZVQPWJYGNRCFD-UHFFFAOYSA-N	412.489	5.237	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC	2332124581	RBZNVYWBUSXADM-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
Cc1ccccc1COc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc1	2332133471	QVSNGDXWCUBPMJ-UHFFFAOYSA-N	424.544	5.860	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140171	HWCSSUFLSLLUED-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141734	UNHDWNIOFFXOMR-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1	12691345	MQSMEQVXBCJIMW-XMMPIXPASA-N	415.493	5.033	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456579	VAWGEPIEFCXNIV-DRMXPCRNSA-N	400.547	5.813	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14465242	DJEUISVAOJAKFO-MIZPHKNDSA-N	406.957	6.183	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476844	FDPAMBOCNZZHEX-VHFRWLAGSA-N	424.544	5.842	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546880	JRJTUXUSVXTPNF-HOOSLVGPSA-N	416.392	7.779	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@@H]21)c1ccccc1	20707611	ZRERZUZPDLUZLP-FHAGJXEFSA-N	410.517	5.885	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O	33330529	FJVKYPWTOXCWME-WGVPTNTPSA-N	422.575	5.090	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	34780505	KIVSKAPIHQYYCZ-FRKPEAEDSA-N	424.330	5.124	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)c1	54620757	ZPBUVPLWFNSSDQ-JOCHJYFZSA-N	418.518	5.770	10	10	HKCE	
O=C1N=C(O)/C(=C\Nc2c(Cl)cc(Cl)cc2Cl)C(=O)N1c1ccccc1	108705839	UYKBIMIBZNTRGX-DHZHZOJOSA-N	410.644	5.066	10	10	HKCE	
CCCCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	205950404	NRAUJIPPXLYIKO-CAPFRKAQSA-N	404.539	5.101	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226709079	VBSFLPKOHRDGLB-SXGZJXTBSA-N	414.299	5.158	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	1858586572	PXKRXALXLKTSMA-HEHNFIMWSA-N	401.641	6.870	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1Cl	1860074917	AHFTYYYXLGPFPP-YBFXNURJSA-N	411.935	5.908	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1	1865656388	ICDWUNRIHMBDTG-GZTJUZNOSA-N	403.707	5.294	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673430	DNFGBRPLRYJJTD-GZTJUZNOSA-N	419.269	5.309	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cc4c(n3Cc3ccccc3)CCC4)cc2)cc1	1866251597	XXKWFXNSWRDKCG-UHFFFAOYSA-N	421.544	5.450	10	10	HKCE	
CN[C@H](C)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	1892590547	HXPAADDYCQWJLV-VGOFRKELSA-N	417.391	5.305	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12	2313538619	UYMJSWFPHOYAKG-UHFFFAOYSA-N	409.464	5.635	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c1	2332119220	OXTZCSAQUVNWCO-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129866	VXNZKYMNOSVPDO-UHFFFAOYSA-N	419.269	5.309	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1Cc2ccccc2S1	11968006	WFEDHHJJVZHADJ-NOZRDPDXSA-N	411.526	5.468	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2)c1ccccc1	14458809	IGHAIAVPNKJPDE-XFAFFCHDSA-N	408.545	6.488	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546177	JUGXVSPUJCHINS-ISJBWFOZSA-N	424.544	5.794	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701809	VHPRHOJUCROLQN-SXGZJXTBSA-N	420.336	5.941	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Br)cn3)c3ccccc3)c(O)c2n1	54200362	VLHZEBFXYRDRSH-HXUWFJFHSA-N	420.310	5.608	10	10	HKCE	
CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2O)N1	58138663	RQINJMCSECHCFR-BVAGGSTKSA-N	400.522	5.576	10	10	HKCE	
CCc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	102867209	SXXWMEMZHPQJGN-MHWRWJLKSA-N	423.390	5.827	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226809310	JZYWYOLTHKZABB-USKVXJDGSA-N	420.578	5.144	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCC[C@H]1CN(Cc1ccccc1)C2	380520593	BNDLDULNFGNSLK-PGRDOPGGSA-N	405.369	5.091	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cccc(OCc2ccccc2)c1	708073948	WSRDAWVENLDYAD-UHFFFAOYSA-N	418.718	5.999	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccsc2)SC1=S	1858589541	XRJRNVCMTMHIPM-DTQAZKPQSA-N	411.614	5.545	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865654290	OPTKTYDMCKGSRO-WQLSENKSSA-N	417.189	5.477	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccc(Cl)cc2)sc(C)c1-c1ccccc1	1866030330	PRYGZZCKEVBJAD-UHFFFAOYSA-N	413.926	5.735	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2nccs2)sc(C)c1-c1ccc(Cl)cc1	1866164747	FURVWPCHGOSRMJ-UHFFFAOYSA-N	406.916	5.262	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc(CNC(C)C)cc1Br	2096850448	PMAMRTIQVYQTKE-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2313577382	LBWDHSSKHHJKBE-UHFFFAOYSA-N	419.521	5.260	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321635330	VPRSXFINGZBVNP-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2cc(C)ccc2O)SC1=S	2321637609	XFRSKKSVDSIECY-UHFFFAOYSA-N	405.928	5.077	10	10	HKCE	
CC(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1	6782080	CEEDTIGLDJEBJX-HXUWFJFHSA-N	400.566	6.045	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678512	CETOZJMDAAEUML-LGVFNWMJSA-N	402.538	5.584	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21	20707920	HOCBMEPQQOSMRS-FKCDAAJZSA-N	416.524	6.919	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364508	JVHHTTBVXCQRQA-UPVQGACJSA-N	408.904	5.970	10	10	HKCE	
Cc1ccc(C(=O)N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1	97384938	AYMCZBWOWNMADR-OQLLNIDSSA-N	408.331	5.343	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1O	226655094	HXGLCMVQODMZIA-IMWIBFENSA-N	418.537	5.244	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2	226883508	DIOQDDZAMMVPOX-LNPFQXMTSA-N	405.929	6.386	10	10	HKCE	
CC[C@@H](N[C@@H](CN(C)Cc1ccccc1)C(C)C)c1cc(Br)ccc1O	398017082	HSCMJIDXVFBPRD-RTWAWAEBSA-N	419.407	5.352	10	10	HKCE	
Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cc(Br)ccc1O	690838281	SESVFQURRFMMJU-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	1860085349	FUISWWKEHUOWHP-LTGZKZEYSA-N	423.607	5.149	10	10	HKCE	
COC(=O)c1c(NC(=O)C(C)(C)c2ccccc2)sc(C)c1-c1ccc(C)cc1	1866265360	JUGWLBUXOXEEGL-UHFFFAOYSA-N	407.535	5.735	10	10	HKCE	
CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	1891233966	XOUPYDOOZCJFMU-UHFFFAOYSA-N	406.960	5.562	10	10	HKCE	
CC(C)(C)OC(=O)N(CCC[C@@H](O)c1ccc(N2CCCC2)cc1)Cc1ccccc1	1999521583	OLFDVEKNBPHVCH-XMMPIXPASA-N	424.585	5.538	10	10	HKCE	
CCN[C@@H](c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccccc1O	2090041171	XURYMOLLOQGDQI-SFHVURJKSA-N	421.335	5.201	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(Br)c1	2095879958	UEELOAFRWIXBFR-HXUWFJFHSA-N	417.391	5.134	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@@]2(NCc3cc(Cl)cc(Cl)c3O)CCC[C@H]12	2154577437	RWEIREAMXRQUMT-JXFKEZNVSA-N	415.361	5.111	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	2297316318	QIPMQWGEVNNSKD-UHFFFAOYSA-N	405.885	5.153	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1	2318753314	CISBNJHKJHWSJG-UHFFFAOYSA-N	413.520	5.000	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(Cl)cc4C)C3=O)c2c1	2321569949	KXKJAYKDVWRNIY-UHFFFAOYSA-N	414.939	5.544	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	2332104660	DWEHQUIAQLZREC-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639341	RTSHHLUEGYSHRG-LQWHRVPQSA-N	411.343	5.870	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463400	KBOZJTZXWQSQNR-IMWIBFENSA-N	408.973	7.029	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14544923	XJUVQTPHLFFZLF-OFUUFJSKSA-N	411.549	6.011	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549025	JQGGZAGPDYUVIM-FMGHJNRGSA-N	404.513	6.778	10	10	HKCE	
CCC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1	18042901	ISANCKYZSXDAOC-KREXOYDUSA-N	419.293	5.283	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678666	FAYSCGOUXOOHSD-LGVFNWMJSA-N	402.538	5.538	10	10	HKCE	
CCN(CC)c1ccc(CNc2ccc(Br)cc2Br)cc1	57671764	TUYXEJKZJCUGIR-UHFFFAOYSA-N	412.169	5.670	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C/N3CCCC[C@H]3CC)SC2=S)cc1	59397155	NMCDDLXSVHWWGJ-URTGMZOISA-N	404.601	5.336	10	10	HKCE	
CCOc1ccc(C2=NN(/C(C)=C\C(C)(C)O)[C@@H](c3ccccc3O)C2)cc1Cl	101352526	JGTCXKHOPWHMJT-HMZRMUTASA-N	414.933	5.270	10	10	HKCE	
CC[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCN(C(=O)OC(C)(C)C)C1	312308147	YMUXBOCYXQUWMS-FQEVSTJZSA-N	417.377	5.216	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1	1858590946	QAJAMZSMHWHGCP-RGVLZGJSSA-N	411.636	6.154	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1	1865952360	AZXSJOGGLHSFMU-UHFFFAOYSA-N	423.534	5.398	10	10	HKCE	
Cc1cc(Cl)ccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872739076	UIJVDHWUEYASFQ-UHFFFAOYSA-N	404.901	5.510	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2C)cc1	1874141117	YTMJTCPEBJEMIE-DKERFCRFSA-N	406.570	5.437	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CO)c(Br)c1	1914855282	PHGDBNOJWSTFMU-HNNXBMFYSA-N	402.357	5.771	10	10	HKCE	
CCN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1	1999540397	QFKQWSIIDOVMPU-XMMPIXPASA-N	423.601	5.375	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080022028	DNZCUNBBBMGAHZ-GOSISDBHSA-N	404.938	5.333	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H](C)c2cc(Br)cs2)cc1Br	2186589197	DGVMMOAWHOVMGF-UWVGGRQHSA-N	418.198	5.490	10	10	HKCE	
Fc1ccc(COc2ccc(Br)cc2/N=N/c2ccccc2)c(Cl)c1	2295356015	DXDIPDBOYNWLQP-WCWDXBQESA-N	419.681	7.236	10	10	HKCE	
COc1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3Cc3ccccc3)c2c1	2296589889	WBCOSDZHEJLNMD-UHFFFAOYSA-N	407.473	5.105	10	10	HKCE	
CCCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)SC1=S	2313507629	YCSBLYPFMNKIRU-UHFFFAOYSA-N	422.369	5.629	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc2ccccc12	2332099817	HMKYHBZSMSAZGY-UHFFFAOYSA-N	419.322	6.189	10	10	HKCE	
COc1ccc(OC)c(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	2332114661	CJCIXVQSHWVSHV-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cccc(OCC)c1	2332116552	AJAAPRFDFNBGLT-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140741	GMHWLZGRSKWHMT-UHFFFAOYSA-N	423.232	5.664	10	10	HKCE	
CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	5967983	MIDDMNCOLZMMQG-GZTJUZNOSA-N	411.939	5.024	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641774	OGEBEVSBHQQMDB-BSRJHKFKSA-N	422.525	5.133	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456047	WUKYEEQBHZUYEX-HFMPRLQTSA-N	403.547	6.341	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	14460748	APASFXXOOIHGDT-JKDFXYPNSA-N	411.126	6.288	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCCCC1	14475332	FSRFYNLYKHUBSR-FXSPECFOSA-N	408.545	6.292	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546872	RDMWXXWQMHJZRE-MFLXSWDHSA-N	401.337	5.960	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	14552246	NWROXHYAIKXOSA-HWBMXIPRSA-N	418.606	6.107	10	10	HKCE	
O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1Cc1ccccc1	33315644	UEKZEZIDXAYVFH-ATVHPVEESA-N	406.825	5.102	10	10	HKCE	
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	36559321	IONZXMIVHQLPGN-HWBMXIPRSA-N	422.594	5.466	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)sc2c1CCCC2	170583946	PXCKLWAXZLTJSX-UHFFFAOYSA-N	413.539	5.022	10	10	HKCE	
O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2O)N1c1ccc(F)cc1	197463953	LVNANEWQQOGAKB-LJQANCHMSA-N	413.246	5.065	10	10	HKCE	
O=C(CF)N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl	252445499	PZUBJZYYQRARFX-HNNXBMFYSA-N	403.672	5.296	10	10	HKCE	
COc1ccccc1N1C(=O)C(O)=C(c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1	526408531	XBJFYVUCQAMGKM-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	1084272630	TZDKJJOEPGDPCF-QGOAFFKASA-N	403.956	5.925	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)cc1OC	1865671399	ZAPXMNSEFXDVQQ-DEDYPNTBSA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673075	TYRQMNUQYJVLCZ-QGOAFFKASA-N	416.352	6.036	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677414	HWCSSUFLSLLUED-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Br)c(C)c3C)c2C)cc1	1874161680	BMGJSEIXOISCRY-UHFFFAOYSA-N	411.343	6.034	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Br)ccc1Cl	1891112847	QLECXYIEQNRCMB-YOEHRIQHSA-N	419.750	5.021	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2095812894	CZYCAVZBEGTFNU-UHFFFAOYSA-N	414.343	5.744	10	10	HKCE	
CC[C@H](N[C@@H](C)c1nscc1Br)c1cc(Br)ccc1O	2186651997	MECKGWGGVOJUKP-UFBFGSQYSA-N	420.170	5.176	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1	2314827288	ARZORCTUFFCVTI-UHFFFAOYSA-N	424.591	5.214	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OCC	2332107154	UZEPFSGHHOVXAM-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c[nH]c4ccccc24)N3)CC1	14545110	SYXCZHQYQPVZED-JDRJUVJTSA-N	411.549	5.867	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548247	FKGZMBKFJATIDG-CTDFBYRASA-N	412.533	5.900	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14550140	DQIQIGZJMPAPNB-FRQCXROJSA-N	403.263	5.126	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2sccc2C)N3)c1	14553532	FIPGFEXYBLCIGW-SXWKCWPCSA-N	400.547	6.444	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1O	20690551	PCXPABKFQVDPGM-IECBHUPTSA-N	418.537	5.099	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20705141	PEQKRNKVNCPNBB-ZRCGQRJVSA-N	417.509	5.484	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712693	OTPYVUFLUSPWQP-ZOCZFRKYSA-N	415.364	6.350	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753650	MPSGNYOKGAMJDF-HPJWIMSGSA-N	418.540	6.569	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226781631	WRDLCEWZUULMMZ-YDIMBITNSA-N	409.526	5.718	10	10	HKCE	
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Nc1ccc(N=Nc2ccccc2)cc1	1565517862	TYZXZZUTXWYOPW-UHFFFAOYSA-N	413.393	6.815	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccccc3C(C)C)C1=O)cn2C	1860086547	PMCZTKGMEHWCOL-SRZZPIQSSA-N	422.575	5.716	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665082	AJQBSYXELYCQOP-HMMYKYKNSA-N	408.498	5.079	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3c4c(nc5ccc(F)cc35)CCC4)cc2)cc1	1866272465	JGGLUZDCTHFOFI-UHFFFAOYSA-N	413.452	5.489	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4ccccc4C(C)(C)C)ccc3[nH]2)cc1	1872741252	MQDCFNVDWYQETH-UHFFFAOYSA-N	412.537	5.846	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br	1911968725	KGLDMRXVRDNZJT-OAHLLOKOSA-N	400.316	5.352	10	10	HKCE	
Cc1cc(C=CC(=O)O)ccc1N(CCN(C)Cc1ccccc1)Cc1ccccc1	1946823529	BTSMVRZEPGHONR-UHFFFAOYSA-N	414.549	5.231	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2095948568	CJBWQOLGKMJIAY-MSOLQXFVSA-N	417.435	6.561	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100223372	PXXVPBQDENGUIP-NQERJWCQSA-N	417.391	5.289	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	2297450927	YQOFNDHZKIUXGB-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OCC	2323790890	SDHISBGVBDAQCR-WBVHZDCISA-N	419.612	5.654	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cc(Cl)ccc3O)C2=O)c1	2332107429	CVJIBMMPRLVQFU-UHFFFAOYSA-N	416.908	5.493	10	10	HKCE	
CC(C)CN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O	2332116515	XBFNLMYUNRJZEW-UHFFFAOYSA-N	402.416	5.066	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1cccc(OC)c1OCc1cccc(C)c1	2332134388	SGVFVTKTKCVNHU-UHFFFAOYSA-N	420.553	5.620	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cccc(F)c2)cc1	2332140757	IACWGMKGDYKMJB-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
O=C1Nc2cc(Cl)ccc2/C1=C/c1cn(CCOc2ccccc2)c2ccccc12	3648621	FDQZJHMVJCSMMF-HMAPJEAMSA-N	414.892	5.866	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460400	FNNPOROHHUAZDD-IMSXRSKXSA-N	414.936	6.097	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476389	AUNNXHXFOVYIOV-XHNVNVPESA-N	422.355	7.399	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@H]2C=CC[C@H]21	14544490	OLLQDUWOZQUONA-XXAUWVGASA-N	424.544	5.911	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548281	DJYRCIUWDUDGAU-NOMHHCBYSA-N	412.533	6.357	10	10	HKCE	
Nc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1N=Nc1cccc(Cl)c1	252634429	WNOPDUXGHQMKRN-UHFFFAOYSA-N	424.895	6.714	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccc2ccccc2c1	526337739	GZQAUHSXQNWIPS-QFIPXVFZSA-N	415.470	5.370	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087274	MBVNWGPDYCMKPM-RIYZIHGNSA-N	415.845	5.470	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3ncoc3c2)sc(C)c1-c1ccc(C)c(C)c1	1865785888	FXBLJMQXQAKHDI-UHFFFAOYSA-N	420.490	5.520	10	10	HKCE	
Nc1ccc(Nc2cc(Br)c(Br)c(Br)c2)cc1	1946433830	ZSWCCPMVHVDWRY-UHFFFAOYSA-N	420.930	5.300	10	10	HKCE	
CC[C@@H](N[C@H]1CCCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	2104266600	PBBPWLYCVPCQJC-PZJWPPBQSA-N	417.391	5.250	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1	2296879979	OJMZBJKGZIPPBJ-UHFFFAOYSA-N	402.972	5.592	10	10	HKCE	
CCCCCN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	2314433324	MERSFCSQZBABSX-JOCHJYFZSA-N	421.587	6.138	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1O	2321601621	APJNUEDYUFEFQR-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2321638341	YRAKHPYBPMYGSH-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	2321753994	UQFRCMHFAIZWTQ-UHFFFAOYSA-N	404.507	5.217	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc1OCC	2332113817	MSWVMWFJXSWEQO-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1	2332132888	FAFMTPLDKBBKCV-UHFFFAOYSA-N	412.489	5.319	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464130	QJFHQVGDZOHDLE-LFAGZIFBSA-N	418.562	5.355	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	14478387	WHIYVVMAIJFQJO-JXQFQVJHSA-N	417.509	5.438	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14552348	ZENQIEWEZKCXKS-HWBMXIPRSA-N	412.558	6.487	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O	33698450	ATOONNOTHFIUQN-RQZCQDPDSA-N	405.928	5.159	10	10	HKCE	
CC[C@H](Nc1cc(Br)ccc1F)c1cc(Br)ccc1O	36751143	WGGFYVKSTORJGV-ZDUSSCGKSA-N	403.089	5.620	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226838743	LMEUXLTWQQZTTF-GGUMNFRJSA-N	416.392	7.779	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	226858641	QPSZXAKZBUHQEO-TZBSWOFLSA-N	424.610	5.632	10	10	HKCE	
CC(=O)Nc1ccc(N=Nc2ccc([N+](O)=Nc3ccc(NC(C)=O)cc3)cc2)cc1	575732329	TUHQITDFVKIXNR-UHFFFAOYSA-O	417.449	5.836	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cc(F)ccc1F	1860087251	KJDQKRGZVKZXRB-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OCC	1865665379	PZXZRXYSMYSJRN-JWGURIENSA-N	420.553	5.550	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OC	1865670945	ASWKZTCWEKVQHV-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	2217117276	WAFUAKPCEDSZBA-DEOSSOPVSA-N	415.625	5.713	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(SC)cc2)cc1	2297348430	LJOLRJUESUFUHT-UHFFFAOYSA-N	400.503	5.252	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1Cl	2332099846	JUTBQBHMJZZGOE-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
CCN1N=C(C(F)(F)F)C(=Cc2c(OCc3ccccc3)ccc3ccccc23)C1=O	2332133027	UPECTAIYTDUVOH-UHFFFAOYSA-N	424.422	5.583	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332140680	BGOKXELQYZIAHJ-UHFFFAOYSA-N	418.724	5.707	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310286	ZJPBVJDBHNXCFD-MDWZMJQESA-N	411.291	5.307	10	10	HKCE	
CC[C@@H]1SC(=S)N(CCCCCC(=O)Nc2cc(Cl)ccc2Cl)C1=O	11636714	GHSMASYXCGBCRK-AWEZNQCLSA-N	419.399	5.131	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21	13637331	MCQACANGXHKRHK-SGIRGMQISA-N	410.517	5.191	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	13638499	HYMZOKIHSBSHSX-LGVFNWMJSA-N	418.334	7.068	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc([N+](=O)[O-])c4C)[C@H]4C=CC[C@H]43)ccc21	13642418	CFNNYDINKZDUJP-CPLYKCMESA-N	423.516	6.858	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(OC)ccc(OC)c4[C@H]4C=CC[C@H]43)ccc21	13642472	WVQXAJQCVCCDQN-ASHZAFPQSA-N	424.544	6.658	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468156	DEWXQNSZZGERNA-BXTJHSDWSA-N	404.293	5.754	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476840	DKTGIJMHVVBURH-VHFRWLAGSA-N	424.544	5.794	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@@H]2C1	20720547	AHSIWGNLIALKRP-ZCUZBQTDSA-N	406.529	6.616	10	10	HKCE	
Cc1cccc(C)c1NC(=O)CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O	59432142	BGXDRACMDWKOFO-UHFFFAOYSA-N	417.892	5.303	10	10	HKCE	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N(C)C2CCCCC2)cc1	253966871	XVSZMCBZMFMXMW-UHFFFAOYSA-N	422.529	5.116	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1866161407	YZFGHOHJQWBOKT-INIZCTEOSA-N	422.550	5.654	10	10	HKCE	
CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1874180059	XVNKDZQTAZTIAS-KRWDZBQOSA-N	411.501	5.403	10	10	HKCE	
C[C@H](O)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl	1931961434	SWVLPAKDIOTXEP-FQEVSTJZSA-N	408.973	5.532	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2ccccc2C(F)(F)F)C1=O	2313610118	RQQQSGALTAQLGL-LBPRGKRZSA-N	400.491	5.176	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321601604	QSIBEOWFKDZGIX-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477861	ZUALTXITNSUANZ-PONJGIIJSA-N	401.337	6.559	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@@H]21	14544241	DPZXAUGVJRXORF-SBQVMTCPSA-N	424.544	5.911	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548126	DQGXQTXOJSKJAI-MVOZIGHISA-N	413.561	7.331	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14550655	YSRRZNWAXAEHME-IBGGVINMSA-N	424.544	6.093	10	10	HKCE	
CCOc1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@@H]21	20684676	FFLYWWATXXBUOA-WXJXEWBDSA-N	408.545	7.040	10	10	HKCE	
Cc1ccc(C)n1-c1c(Br)cc(Br)cc1Br	35120194	KTMNQMXIDCFTNJ-UHFFFAOYSA-N	407.931	5.382	10	10	HKCE	
C/C(=C1/SC(=S)N(c2cc(C)ccc2C)C1=O)c1ccc(Br)cc1	39861732	ISHPLHILYNLBHC-LGMDPLHJSA-N	418.381	5.862	10	10	HKCE	
CCCCN/C(=C/C(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	100177451	PAFBDIZJHTTYTQ-LDADJPATSA-N	413.801	6.817	10	10	HKCE	
CC[C@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1cc(Br)ccc1O	398124544	YIKMSUBHZHLZNM-UNMCSNQZSA-N	417.391	5.250	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3OCCC)C2=O)c1	1860085418	JURJJODFILRYTF-HMMYKYKNSA-N	413.564	5.670	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2OC)sc(C)c1-c1ccc(C)cc1	1865969137	QHBJHFOAHYNSPV-UHFFFAOYSA-N	409.507	5.388	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	1881666828	FZAUXJOMCQATJS-UHFFFAOYSA-N	422.322	5.754	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1914875094	GRQZOZXYQOQRRK-OAHLLOKOSA-N	402.357	5.771	10	10	HKCE	
CN(C(=O)OC(C)(C)C)c1cccc(NCc2cccc(Br)c2O)c1	2040720531	CCZWYIMOAAHIRG-UHFFFAOYSA-N	407.308	5.138	10	10	HKCE	
CC[C@@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O	2090028554	MATMSJNDQKATFL-FOIQADDNSA-N	414.347	5.201	10	10	HKCE	
O=C1C(=Cc2ccccn2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2296883338	TZIVOGYHYMYKRI-UHFFFAOYSA-N	400.834	5.160	10	10	HKCE	
Cc1cc(C=C2NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1	2297457969	FHWDXDSIZBPBGY-UHFFFAOYSA-N	421.500	5.340	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	2332099747	AEQFRLRQQBPICT-UHFFFAOYSA-N	412.508	5.953	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332114732	LCKUTWBSBZKGQU-UHFFFAOYSA-N	422.834	5.867	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116543	ZHWQVLOKDMOFRL-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
CC(C)(C)CC(C)(C)Nc1c(-c2ccccn2)nc2ccc(Br)cn12	4589630	RONFABYJEAFKMM-UHFFFAOYSA-N	401.352	5.786	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462319	DNAAFAQHAUNIRA-HWBMXIPRSA-N	417.597	5.888	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21	14474297	MYIIHJJBQDGRNB-ZYLNGJIFSA-N	410.517	5.491	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477446	AEHIWJPWPWSWJW-AXHZCLLHSA-N	408.328	7.612	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(SC)cc1)[C@@H]1CC=C[C@H]21	14552208	SJEARSDUOATMNR-JQVVWYNYSA-N	408.567	5.001	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1	19888475	DQIQIGZJMPAPNB-MDZRGWNJSA-N	403.263	5.126	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@@H]21	20697400	GOZRBABEZGTATK-OTNCWRBYSA-N	406.570	5.775	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2)N1CCCC1	20706448	PIYOCVMSYSDOKK-YVHKJVDXSA-N	423.900	5.311	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	33657645	UJZDOKLZHIVIGT-PILJQMSFSA-N	404.354	5.412	10	10	HKCE	
CC[C@H](Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1O	37392250	FEFNIASSSNBFQW-ZDUSSCGKSA-N	419.544	6.134	10	10	HKCE	
O=[N+]([O-])c1c(NC[C@@H]2CCCO2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1	40585768	COYHTKWJVOHATG-BDSWOBDFSA-N	419.445	5.135	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1	59367317	HSEMDOJXGWBDJH-ZHZULCJRSA-N	421.269	5.423	10	10	HKCE	
CC(=O)OCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1	90443444	KZDRESFERCPAGY-PAMTUDGESA-N	416.481	7.240	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250501720	GXVDVFXPFIISKP-UMEGOILYSA-N	410.448	6.867	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	250585207	GOJSFPQXBUAQOR-RQTOMXEWSA-N	416.546	5.338	10	10	HKCE	
CC[C@@H](N[C@H]1CN(Cc2ccccc2)CC1(C)C)c1cc(Br)ccc1O	720738425	YLQHIOLABYLECN-CTNGQTDRSA-N	417.391	5.106	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)c1	1860085656	HXESDCUVJWVFHA-DEDYPNTBSA-N	413.564	5.526	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860085697	UVHJCEFKSWOKRE-SFQUDFHCSA-N	423.481	5.900	10	10	HKCE	
COc1ccc(OC)c(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	1865668316	QUYXWDYINWOMPR-STZFKDTASA-N	418.880	5.192	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(C(F)(F)F)cc2)cc1	1865678807	FOLLTUIZJYCOGD-RCCKNPSSSA-N	422.406	5.549	10	10	HKCE	
COC(=O)c1c(NC(=O)C2=Cc3ccccc3OC2)sc(C)c1-c1ccc(C)cc1	1866046104	WNLFQMYAQUJORG-UHFFFAOYSA-N	419.502	5.233	10	10	HKCE	
CN[C@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977944618	IILIJGLWIIMKHR-HSZRJFAPSA-N	411.590	5.231	10	10	HKCE	
CCCN[C@@H](c1ccccc1O)c1scc(Br)c1Br	2090038033	TUOXDJQPDMZRDF-ZDUSSCGKSA-N	405.155	5.068	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1CCCc1ccccc1	2293772170	LHOQNSPNKOCZFB-UHFFFAOYSA-N	424.374	5.533	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1F	2321664170	MZAZTXJCWKVTRC-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2323680946	YCBOPIZPQSARPS-PCODUJHASA-N	401.597	5.501	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106733	AJQBSYXELYCQOP-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cccc(OC)c1OC	2332130594	GYTRJIVCFKTCDZ-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	1028637	YBZQULKZGNQBAU-PXNMLYILSA-N	410.347	5.403	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475271	GTDULIMGCXUZDM-RQTOMXEWSA-N	418.562	5.353	10	10	HKCE	
Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Cl)cc1	15728508	XVUGDHFSCZKGTD-UHFFFAOYSA-N	411.977	5.516	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21	20752876	FLZNRVLWCMIHJP-NRYAXDJKSA-N	400.547	5.847	10	10	HKCE	
Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	33330805	DNSKSLLWLMQALZ-LPFYXSTISA-N	422.575	5.171	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\C2=Cc3cccc(OC)c3O[C@@H]2C)SC1=S	33514423	KFCZUUNJOIWNEF-QFGUUYLXSA-N	403.569	5.184	10	10	HKCE	
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(C(C)(C)C)cc1	40942092	VQRXBECRZBDUFT-XDHOZWIPSA-N	413.564	5.061	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)/C(=C/c2ccco2)S1	54201157	UNMXPQYLSSVCFA-UOIFGXKSSA-N	415.474	5.443	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2oc3cc(O)ccc3c2Cl)SC1=S	102862902	BGJQGOFADUKWBU-MUOOZZNISA-N	415.923	5.754	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226841249	ITHICTYULOQTJV-SIFCLUCFSA-N	423.365	5.070	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CC)cc1Br	387289638	WTQXETMKNZUHMC-MSOLQXFVSA-N	403.408	6.315	10	10	HKCE	
CC[C@@H](NC[C@]1(C)CCCN1Cc1ccccc1)c1cc(Br)ccc1O	398124538	YIKMSUBHZHLZNM-IRLDBZIGSA-N	417.391	5.250	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccccc1Cl	1860076507	FRXNAWCYLDFPCC-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1	1865675519	MAJCJUDWRCQTJP-LFIBNONCSA-N	417.292	5.366	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679367	JUMKFLIBZILTQR-RCCKNPSSSA-N	402.881	5.725	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CC)CCCOCc2ccccc2)c(Br)c1	2096847098	ZUPUGEUIIQUHAX-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(F)c(F)c3)SC2=S)cc1OCC	2318753425	YVXKJMROINXVJF-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
Cc1ccc(CN(C)c2sc(C)c(C)c2Br)c(O)c1Br	2380750880	GNLNGZVRVMHPPG-UHFFFAOYSA-N	419.182	5.540	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458577	XJMAPEDFWHMHSD-FXSPECFOSA-N	408.545	6.691	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc(Cl)cc1	17094238	IFLZMFZHXBCUFB-XSFVSMFZSA-N	424.957	5.516	10	10	HKCE	
COc1cc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O	20070756	SKXNYHUOXSATSX-WZONZLPQSA-N	422.868	5.002	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1	33405182	HRUCPOXLJTXBQN-VKGGKSIRSA-N	420.563	5.320	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	226728458	NYUBYVFQVRAGES-OHUGHZGNSA-N	407.510	5.626	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1	226786245	KYZRZPJRPOAGSJ-DPLHUUCSSA-N	402.538	5.538	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226857019	GQZUNICHPKTZDL-MQNCWCGJSA-N	418.584	7.666	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526233846	FHCSWMLBCAPVRJ-VWLOTQADSA-N	412.533	5.681	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(Br)cc2)c1	1084296146	GCSVZMHGWPQLKH-UHFFFAOYSA-N	412.125	6.630	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OCC	1858590225	CQHATIKSBTUJQV-QGOAFFKASA-N	421.628	5.900	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S	1858590999	SPEWCXGCIWUTKK-NISQSXRWSA-N	407.601	5.654	10	10	HKCE	
CC[C@@H](C)N(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917163	LUVQSVZMFRWLFG-IYICPGQYSA-N	409.485	5.307	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1	1860086001	CKFWGUGVRNEHQK-LTGZKZEYSA-N	411.592	6.360	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087320	PDXKMWNSEJOKHD-RIYZIHGNSA-N	401.381	5.389	10	10	HKCE	
CC[C@H](N[C@@H]1CCCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2102361880	IFBHGUBBFSTMRW-CTNGQTDRSA-N	417.391	5.250	10	10	HKCE	
CCOc1ccc2ccccc2c1C=C1C(=O)N(c2nc3ccccc3s2)N=C1C	2297460919	UIJQJDMRFBVJKX-UHFFFAOYSA-N	413.502	5.654	10	10	HKCE	
CC(=O)Nc1cccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	2318776000	SGQYKCFOLOQYGH-UHFFFAOYSA-N	413.525	5.051	10	10	HKCE	
CC[C@@H](C)N(C(=O)C=Cc1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	2329725949	KAQHVPWGIFZNIT-LJQANCHMSA-N	423.512	5.615	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2CCC)cc1OCC	2332114049	NHPDDBFSMLDUEJ-UHFFFAOYSA-N	400.563	5.692	10	10	HKCE	
O=C(Cc1ccccc1)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O	855591	APNYAIWPQZJKMP-QHCPKHFHSA-N	402.881	5.042	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3CC)[C@H](C)CC)ccc21	3585634	SKEVSQHWDOCOTB-HXUWFJFHSA-N	423.670	6.409	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc12	3626317	OYYOAIKNBTYXHP-FMIVXFBMSA-N	405.929	5.839	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13636052	UINANLCAMGVKMV-JCYRPKCISA-N	413.517	5.980	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464527	POBILPMSIQMFII-BSWQBHCVSA-N	416.952	7.058	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466128	PZRFJMMPBRSFDA-IXFSTUDKSA-N	406.957	6.229	10	10	HKCE	
Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1[C@H](C)CCc1ccccc1	43223915	DXUUVOSFTGJQBP-LJQANCHMSA-N	401.554	5.356	10	10	HKCE	
COc1ccc(OCCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	1858586557	BGWADOZEXBKAEZ-XSFVSMFZSA-N	413.564	5.099	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	1860085141	PYTLGARKTIHEMF-HMMYKYKNSA-N	409.620	6.687	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c1	1865668486	AEIYIWKZSPITIK-HKWRFOASSA-N	424.422	5.977	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(NCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873169517	CMJSLAKPTIRSSB-NRFANRHFSA-N	421.585	5.142	10	10	HKCE	
O=C(O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S	2040446207	DEEPUUXMQPURFK-UHFFFAOYSA-N	411.548	5.200	10	10	HKCE	
Cc1ccc([C@@H](C)Nc2ccc(Cl)c(I)c2Cl)c(O)c1	2150345446	MGVBUJVFSYLREG-SECBINFHSA-N	422.093	5.785	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231433366	AZYVPNUSIOAJKP-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cccc(Br)c1	2296441798	RCIYRKIGLAIKMP-UHFFFAOYSA-N	415.337	5.336	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2296883110	NWMWDMKULDLWSL-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S	2297357890	ILSSRYZZZUXINM-UHFFFAOYSA-N	407.919	5.279	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)SC2=S)cc1Cl	2297498603	XPISLJXRGHGYRZ-UHFFFAOYSA-N	414.939	5.246	10	10	HKCE	
CCCCCCN1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323718837	INNMAYXNWPGQHG-UHFFFAOYSA-N	402.354	5.370	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133408	KNBACWQEQRLHSU-UHFFFAOYSA-N	410.517	5.766	10	10	HKCE	
Cc1cc(NCc2ccc(C)c(Br)c2O)cc(NC(=O)OC(C)(C)C)c1	2352942810	KSVQFVSYKWWDHI-UHFFFAOYSA-N	421.335	5.731	10	10	HKCE	
Cc1ccc(CNCc2ccc(Cl)cc2Br)c(O)c1Br	2381135388	PSVVTIRUZRFKFW-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635694	FAYSCGOUXOOHSD-AWRGLXIESA-N	402.538	5.538	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2)c1ccccc1	13638257	YDJAEHDIBUHYHV-FXSPECFOSA-N	410.517	5.885	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468162	DEWXQNSZZGERNA-AVYPCKFXSA-N	404.293	5.754	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	19890611	RNCXLUFPNPISRE-GGUMNFRJSA-N	422.355	7.399	10	10	HKCE	
COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN23)ccc1O	20070826	YWGRYVMRUYWRCD-JPYJTQIMSA-N	422.868	5.002	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	33661969	QIPMQWGEVNNSKD-CIAFOILYSA-N	405.885	5.153	10	10	HKCE	
Cc1ccccc1OC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3	40568370	GUVUEHAZGOVSBI-UHFFFAOYSA-N	404.491	5.545	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2ccccc2Cl)cc1	96642884	PBMWSPLGRJWIJB-UHFFFAOYSA-N	409.961	5.305	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226857007	GQZUNICHPKTZDL-YIIWZEITSA-N	418.584	7.666	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1	245241324	AFLVJSJCGOFTTI-FRXCHKAYSA-N	407.642	6.540	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	250881760	VUHRDWAXUASMPY-JXHRLWIKSA-N	406.595	6.288	10	10	HKCE	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1	254722121	XANADBBKVAVPKN-UHFFFAOYSA-N	407.495	5.375	10	10	HKCE	
CN(C)c1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C2CC2)cc1	1857878102	ICPIILDJGSKZNR-UHFFFAOYSA-N	417.576	6.879	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668957	YXWAIWWOLGKMLD-KOEQRZSOSA-N	410.517	5.766	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc(C)c1-c1ccc(C)c(C)c1	1865742267	VXYPHKYHXZXLQU-UHFFFAOYSA-N	421.562	5.925	10	10	HKCE	
CCCCN(CCCC)C(=O)c1ccc2[nH]c(-c3ccc(N(CC)CC)cc3)nc2c1	1873506861	PJJOUNJUYDQHBQ-UHFFFAOYSA-N	420.601	6.119	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2034746353	JLVNSGZLOGVNJC-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccc2)SC(=S)N1c1cccnc1	2040446418	GSVJRDQMZZTQCM-UHFFFAOYSA-N	404.516	5.066	10	10	HKCE	
CCCN[C@H](c1ccccc1O)c1csc(Br)c1Br	2093977419	PRWSGACCQGKTFA-CYBMUJFWSA-N	405.155	5.068	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1cccnc1	2297349605	YEPCQOPHCHKIPA-UHFFFAOYSA-N	412.923	5.396	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323790650	AXIZNTMHWJHNBB-HZMBPMFUSA-N	414.365	5.368	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c1	2332119130	GYYOBNAMIPGGBV-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cccc(F)c2)cc1	2332140845	OJFUQBSRYYXWRK-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1cccc(Cl)c1	2332148267	MZOMSKMYQGXOMU-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CN(C)c2cccc(Br)c2F)c(O)c1Br	2380746992	YDDCSCBCLIZUDZ-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471013	YHOVTCIWUWWTBL-BXTJHSDWSA-N	411.889	5.213	10	10	HKCE	
CCc1ccccc1NC1=NC(=O)/C(=C(\C)c2ccc(Br)cc2)S1	39870347	ICXJXIDOGDFBQO-ATVHPVEESA-N	401.329	5.484	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	54620414	OABZJFNBQKWNFL-QHCPKHFHSA-N	412.489	5.707	10	10	HKCE	
CCN(CC)c1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)cc1	85988082	ZDJGIXIKNMMOKS-LEWJYISDSA-N	418.368	5.349	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226691757	VIBGYTFVPQKPQV-CKNLXJGOSA-N	403.309	5.874	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	226895392	GSYLJCFFZDPYMY-SWYRRKHMSA-N	410.517	5.608	10	10	HKCE	
O=S(=O)(O)c1ccc(N=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	254819049	VFJNYADUKAOBAP-UHFFFAOYSA-N	404.451	5.406	10	10	HKCE	
Cc1ccccc1/N=N/c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1	1088691059	YYHGSRRASSBHMI-ZQHSETAFSA-N	412.415	7.382	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4ccc(O)cc4)SC3=S)cc2)CC1	1860085673	SISJAMIPRCIYFH-XSFVSMFZSA-N	410.564	5.034	10	10	HKCE	
c1ccc(Oc2ccc(/N=N/N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	1860483513	WUXOEJPDSFRIGS-OCEACIFDSA-N	416.481	5.024	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664974	VGXQWARRMLCUSZ-WOJGMQOQSA-N	401.337	6.192	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)cc1OCC	1865666572	MTTTWCONEFUIID-XMHGGMMESA-N	410.489	5.205	10	10	HKCE	
COC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc(C)c1-c1ccc(C)c(C)c1	1866029490	JZYIPDRXKVLSFZ-UHFFFAOYSA-N	420.745	5.436	10	10	HKCE	
CCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873421773	QAOJLBZXWAAQTE-UHFFFAOYSA-N	413.521	5.005	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(CNC2CC2)cc1F)Cc1ccccc1	1946823950	HTSAYKBGOBKAJS-UHFFFAOYSA-N	417.572	5.216	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2095891060	ZHEITRCYCDAHJY-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
CCc1cccc(CNc2ccc(Cl)c(I)c2Cl)c1O	2150349818	WHNJUAJKGNLYGL-UHFFFAOYSA-N	422.093	5.478	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	2321708962	AJQVQRMEWYIKJP-UHFFFAOYSA-N	402.544	5.387	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)cc(OC)c1OC	2323725317	DKPYJVXSGGXCLO-UHFFFAOYSA-N	421.584	5.027	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323850796	LWMMVZXMSQMQLY-CQSZACIVSA-N	402.412	6.554	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104815	UVKBVJYXUBJVIE-UHFFFAOYSA-N	414.119	6.102	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CCCC2	920891	XASZJTVNABIHPU-UHFFFAOYSA-N	407.539	5.285	10	10	HKCE	
CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1cccc(Cl)c1	2137332	JUASZKDQGXYDJK-DEOSSOPVSA-N	418.928	5.334	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(NCc4ccccc4)c1c23	6737982	KBZBGZHZRBLIFZ-UHFFFAOYSA-N	423.516	6.032	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1Cl	14476889	MTYOASBFZFPMIX-LLJLJFOGSA-N	408.328	7.612	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	14549731	HTGLVLWKSDMPQZ-SGIRGMQISA-N	412.508	5.625	10	10	HKCE	
CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1	20071280	NCALGPLTBLDDCX-RCZVLFRGSA-N	416.477	5.042	10	10	HKCE	
COc1ccc(-n2c(CCC(=O)NC3CCC3)ccc2-c2ccc(Cl)cc2)cc1	23325523	MVTALFWOKRVSKM-UHFFFAOYSA-N	408.929	5.408	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(F)(F)F)c3cccs3)c(O)c2n1	54619593	VDIQCCMSBAVDFI-HXUWFJFHSA-N	414.452	6.531	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1Cl	59396717	XZWYNRBDSQKOLU-AUWJEWJLSA-N	400.739	6.053	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccccc4C(F)(F)F)c2c1N)CCCC3	96586969	AXOAPHTWMSDRKK-UHFFFAOYSA-N	420.456	5.620	10	10	HKCE	
C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1ccccc1	109625038	FEPAYJCKDOUCMY-OAHLLOKOSA-N	419.472	5.082	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1C	526221631	JQFXZTBWZVRUAF-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
Cc1cc(Br)ccc1NCc1cc(Cl)cc(Br)c1O	708173851	YLPZJEXEBLDHQM-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670060	GLHJUDMUXIHTLW-LFVJCYFKSA-N	414.480	5.597	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCc2ccccc2C)c(OCC)c1	1865676521	HYAADXIZWVIRDC-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679441	NNQOGGZJFYGYCH-BUVRLJJBSA-N	400.453	5.206	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2095845962	WXSWLQXWCYTOCL-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	2296706810	WBIHCPQEXXGOKO-SNVBAGLBSA-N	412.363	6.253	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N12	2297314570	MOMZRWCSQPMYTR-UHFFFAOYSA-N	409.898	5.086	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1	2314736642	QWDRBLGFEJTIIQ-UHFFFAOYSA-N	405.500	5.032	10	10	HKCE	
FC(F)(F)c1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	2330251908	UEVBJUJNHVGWRP-UHFFFAOYSA-N	424.470	6.111	10	10	HKCE	
Cc1cc(Br)sc1CN(C)Cc1ccc(C)c(Br)c1O	2381148460	ZGUHHRDFVHKMKX-UHFFFAOYSA-N	419.182	5.228	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	6953043	SOELNBRTBGOSRU-IYOUNJFTSA-N	401.260	5.192	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461220	JVMDNRMRSPWTFI-MDOVXXIYSA-N	400.316	5.768	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469655	LYTZXRPXJWKEMF-MCEYFSPLSA-N	401.937	7.054	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCCc4ccccc4)c3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	14545047	ASVDJZYSISLQTG-ZKOMGTKCSA-N	420.556	7.006	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549134	QTQCNKDVWXTWFP-IBGGVINMSA-N	419.524	6.996	10	10	HKCE	
CCc1ccc(N2N=C(C)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	33301363	LCIXJJUGHZYCTR-STZFKDTASA-N	400.434	5.013	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250657215	WFHWCCPGJAAVQG-KHCICDEESA-N	414.461	5.706	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588516	KBLAEKDUISBREN-DZLAMVCTSA-N	401.597	5.500	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3c(F)cccc3Cl)C2=O)c1	1865664279	JERCWKKSWJKPHK-STZFKDTASA-N	418.899	5.926	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccccc2F)sc(C)c1-c1ccc(C)c(C)c1	1866002411	BMKHWJONTMGWGT-UHFFFAOYSA-N	411.498	5.447	10	10	HKCE	
O=C(O)CCCC(=Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1	2040475471	JXNAGQMUTYRMOX-UHFFFAOYSA-N	406.551	6.082	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C=O)c2Br)C2(C)CC2)cc1C	2080025397	PCXFYBOFZVXHLR-GOSISDBHSA-N	419.363	5.468	10	10	HKCE	
CCCN[C@H](c1ccccc1O)c1scc(Br)c1Br	2090038032	TUOXDJQPDMZRDF-CYBMUJFWSA-N	405.155	5.068	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323850908	WWMXDFNYJBVSCK-CYBMUJFWSA-N	412.964	5.808	10	10	HKCE	
Cc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	2330210089	FQLZXBOUZUOJCO-UHFFFAOYSA-N	404.945	6.054	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1	6311461	DRDKYGNKGOIGFX-WCWDXBQESA-N	409.511	5.505	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458143	DWFMFZHNXOFTSW-QHWMMSMNSA-N	416.609	6.701	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461502	BKGJQTGSZSDCIN-SLSDLSHTSA-N	404.554	5.926	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467603	UXMGBOVNICWEOZ-RCDCFZSISA-N	417.336	5.664	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476341	GRFCPPKMBKOZSX-SXDGJLEOSA-N	424.544	6.075	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c1Cl	14476981	RYFNMXBLKQIFDF-BTKFHORUSA-N	419.566	7.780	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691473	YQUDNNYFHOBFQQ-RRTYAWIHSA-N	416.565	5.347	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1	33897846	PBWBIJJMPBFZJD-HMMYKYKNSA-N	424.591	5.178	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1N1CCCCC1	40609552	GTVJTRJPEBRGSU-OCEACIFDSA-N	403.446	5.534	10	10	HKCE	
COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl	103365583	GJIZECYHRGKBFW-QGOAFFKASA-N	420.852	5.193	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226681242	CXXNCKQSCBNRKC-OTNCWRBYSA-N	424.610	5.667	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385500099	HJSRSBYRMZNMJD-QGZVFWFLSA-N	401.392	5.752	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cc(F)ccc1F	1860087460	ZIEUPNQITDXTJA-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
Cc1cc(C=C2C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1cccc(Cl)c1Cl	2042446067	QBGAGHYIASKYCJ-UHFFFAOYSA-N	417.723	6.547	10	10	HKCE	
CC(C)(C)OC(=O)NCc1cc(F)cc(NCc2cc(Cl)cc(Cl)c2O)c1	2280487805	UFEWVLBNTRHPKA-UHFFFAOYSA-N	415.292	5.475	10	10	HKCE	
CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1	2297303274	SOXKWWCSRSMAHI-UHFFFAOYSA-N	405.500	5.555	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cccc(Cl)c1Cl	2313541356	CXKQTFKSDVIOLJ-UHFFFAOYSA-N	416.304	5.175	10	10	HKCE	
COc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1	2318755966	FFGVWCZZGCFVEJ-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2318756713	RLOYDAIBDMQATA-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)c1	2321718087	XQONCQHKXKCHPK-UHFFFAOYSA-N	422.531	5.141	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(C2CCCCCCC2)C1=O	2323725257	AXPYOVTXTMAZRV-UHFFFAOYSA-N	405.614	5.327	10	10	HKCE	
CC[C@H](C)N(C(=O)C=Cc1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329788193	LUVQSVZMFRWLFG-SFHVURJKSA-N	409.485	5.307	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3cccc(Cl)c3)N=C2CCC)cccc1OC	2332117568	WFHZQNOBANWZBS-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458217	CORUKKWVRGLUDJ-QHWMMSMNSA-N	408.545	6.691	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1O)N2	14460031	IZIWGHBOBYKAOB-DGCWBMGLSA-N	412.917	5.619	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	14469200	AMHWEWIKCOINIY-IECBHUPTSA-N	420.509	5.042	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(F)cc2)[C@H]2CC=C[C@H]32)cc1C	14549813	KCRPJMWSQBBBTP-WRALFONMSA-N	412.508	6.521	10	10	HKCE	
Cc1ccc(C(=O)O)c(NC2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)c1	16933964	UYCKAGUOOHTONZ-NVNXTCNLSA-N	407.278	5.082	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	226897954	MVIHFJPKVULNCX-PQNGQFLHSA-N	420.509	5.453	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1	526174956	UEAYTFTTWZZHIB-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
O=C(Cc1ccc(-c2ccccc2)s1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1858765072	JDEMEFMQQFITTE-UHFFFAOYSA-N	423.493	5.372	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	1860084009	KGNUCCIKXRWCFM-PXLXIMEGSA-N	424.635	6.058	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667433	WMKREKKTWLRBPC-PXLXIMEGSA-N	402.469	5.569	10	10	HKCE	
N[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O	2016691311	MODLGBBGNPWCCC-HHHXNRCGSA-N	411.501	5.598	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2034746354	JLVNSGZLOGVNJC-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
CC[C@@H](C)N1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)SC1=S	2040467198	ZKUSORSMIGUWPK-LLVKDONJSA-N	422.369	5.709	10	10	HKCE	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)c3ccccc32)cc1	2042446347	GLOQRJUPOIVXHG-UHFFFAOYSA-N	407.473	5.065	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1cc(Br)ccc1O	2138093733	KJRBCROTQPGRQM-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1ccc([C@@H](C)O)c(Br)c1	2186640027	ZWDBQNBXWYWAJX-VHSXEESVSA-N	419.182	5.524	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OC)c(COc3cccc(Cl)c3)c2)SC1=S	2295452448	HYXBFRUMCQHPFR-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	2296382133	LLAKCYHWWYXNRR-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321743504	WQEJCCUXYBXQND-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323831763	BLPZHXOHHGOZFL-UHFFFAOYSA-N	416.534	5.029	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129690	CBNXGIIPBPMEKT-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CC[C@H](C)C2	2909544	AUCVDDROZROUEE-AWEZNQCLSA-N	410.539	5.647	10	10	HKCE	
COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@@H](C)C3)cc1	2909553	JQSWUCCWGIXUTM-CQSZACIVSA-N	410.539	5.647	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477123	OWHLLPJFGCKNRP-YRVVQQKDSA-N	401.337	5.960	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478376	CFMRJSUIIXPJTJ-XLNZFTOWSA-N	419.525	5.684	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546972	RMIIIRIHOODEPM-RAWGQGSESA-N	422.355	7.399	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(C)n(-c2cccc(F)c2)c1C	96400915	KPKAXCJCWRVQBJ-SSDVNMTOSA-N	407.876	5.693	10	10	HKCE	
CN1/C(=C/C=C/c2sc3ccc(Cl)cc3[n+]2C)Sc2ccc(Cl)cc21	169323916	ITLUDAWWCRLOKR-UHFFFAOYSA-N	406.383	6.129	10	10	HKCE	
Oc1c(F)cccc1CN1CCC(N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1	581803303	TYYRXAGKNDQYAB-RUZDIDTESA-N	408.561	5.503	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	1858591290	BHGCSYYYEBOUJW-GZTJUZNOSA-N	407.482	5.669	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1O	1860073502	LAXAHUGIALPJHP-MHWRWJLKSA-N	405.928	5.159	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860075479	XRXWZUCYNURPJU-OQLLNIDSSA-N	413.873	6.073	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865666497	NXFAMHBYCRDRGO-JYRVWZFOSA-N	401.171	5.048	10	10	HKCE	
COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865668393	UXRWTIUVFDDFJN-QNGOZBTKSA-N	418.880	5.192	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675209	UUWHPVPXKDRIRQ-OVCLIPMQSA-N	405.281	5.294	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c(=O)oc2cc(Cl)ccc12	1866292824	KSTQGWUECVUMER-UHFFFAOYSA-N	420.852	5.382	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2095920271	AJYXEKWFJMNTJA-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
Cc1cccc(COc2ccc3ccccc3c2C=C2SC(=S)N(C)C2=O)c1	2297560760	NHSQEDFMCOGGJK-UHFFFAOYSA-N	405.544	5.558	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1Cl	2313610533	YSMLIIRHWJUHMB-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(N2CCCC2)cc1	2321692930	RCCBRNLYARZLAU-UHFFFAOYSA-N	400.956	5.346	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(C)cc2)cc1	2332105104	YRDJZABSYFXRLS-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
Cc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(Br)cc3)C2=O)cc1	2332147787	XYHDZOFHDOUSPU-UHFFFAOYSA-N	409.205	5.106	10	10	HKCE	
Oc1ccc2ccccc2c1CN(Cc1c(O)ccc2ccccc12)c1ccccc1	1681087	ZXKJIHLKKGQDOW-UHFFFAOYSA-N	405.497	6.611	10	10	HKCE	
COc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	10910120	VCEHSKBZPUQJFL-RUZDIDTESA-N	413.473	5.082	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13644691	UPGBOXYWRSBAPH-IWVFXYMLSA-N	424.588	6.591	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459411	IJVYSWQJMSYYMR-DFIYOIEZSA-N	420.553	5.490	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463438	DZKILBOXYMCIQS-FBLLAGFSSA-N	402.538	5.109	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465592	WYHWFVWWWHFFGK-ZOCZFRKYSA-N	401.337	6.559	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469149	XBUXYFZDGWNJAA-LJZUKVSMSA-N	407.510	5.624	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478373	CFMRJSUIIXPJTJ-YDIMBITNSA-N	419.525	5.684	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479458	FUEMGJOFIVSWES-GSHUGGBRSA-N	406.526	5.059	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20718157	MSUYQDTUYGTWJC-PLXFJCCSSA-N	416.565	5.928	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753769	RYEBGPRMZVCNAI-MYIHVTGJSA-N	404.513	6.179	10	10	HKCE	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1	20763836	KRHHVDRHIPGCBO-OXQOHEQNSA-N	413.340	5.439	10	10	HKCE	
Cc1cccc2cc(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCCCC3)nc12	38732118	YMJJFPIJJZVKCR-AQTBWJFISA-N	411.596	5.143	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3Cl)c3cccnc3)c(O)c2n1	54621900	KGYAFYAGFPPHBC-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1ccc(Cl)cc1	59397047	HOEYURCIXZGWQX-XFFZJAGNSA-N	416.774	5.570	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2cc(Br)cs2)c(Br)c1	110360543	LEFANBYKAGOOFJ-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
Cc1c(CNCCCN(Cc2ccccc2)Cc2ccccc2)n(C)c2ccccc12	390578690	GJAYSMXEUMRCMO-UHFFFAOYSA-N	411.593	5.669	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1	1858590786	ISJSVJVEFXHXCW-CPNJWEJPSA-N	416.999	5.588	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2sccc2C)cc1	1865670458	APOVCILRHQMGAN-CPNJWEJPSA-N	408.910	5.553	10	10	HKCE	
Oc1c(Br)cccc1Cn1ncc(C2CCCCC2)c1Br	2070289384	DGZUIHLXNISISA-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
C[C@@H](N)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	2077052322	QRWWBZGCGOOOTR-IERDGZPVSA-N	403.364	5.045	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079025826	QCLMVWMOKFQTFC-SFHVURJKSA-N	402.922	5.168	10	10	HKCE	
Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079997443	CSSAZZUVVNHQMG-IBGZPJMESA-N	403.320	5.047	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3cccc(Br)c3O)cc21	2088951441	WUZVVWFSIDHFDI-UHFFFAOYSA-N	419.319	5.064	10	10	HKCE	
CCCN[C@H](c1cc(Br)c(Br)s1)c1ccccc1O	2090036042	YRCYBVDBFLTUHG-ZDUSSCGKSA-N	405.155	5.068	10	10	HKCE	
COc1ccc(Br)c(CNc2cc(Cl)ccc2Br)c1O	2236051140	OSSAGTJPBWNYRQ-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	2321607279	WZXMHFFPZSNEJZ-UHFFFAOYSA-N	412.388	6.121	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323680626	KRPRURLQOVMUFW-OSFYFWSMSA-N	422.413	5.475	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	2332130569	GLQZVDFLHVLHOB-UHFFFAOYSA-N	419.422	5.016	10	10	HKCE	
CCOc1ccc([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1	1066515	RDJCCPWITAIICC-OAQYLSRUSA-N	405.885	5.589	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466096	JOKVQFWKOBXMKN-WHSLLNHNSA-N	416.974	5.243	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476434	WFHWCCPGJAAVQG-GLDPYIMESA-N	414.461	5.706	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14546098	WDOARMDOWCSJHL-GLDPYIMESA-N	402.538	5.584	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21)c1ccccc1	14548928	RWGVGDJHGGLJTA-DRMXPCRNSA-N	400.547	6.241	10	10	HKCE	
CCc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	20071813	XEHPOJCGXZKEFF-LICLKQGHSA-N	423.390	5.827	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@H]2CC=C[C@@H]32)CC1	20698904	QRSKBPNEYOQXRJ-VIICAESSSA-N	423.560	5.054	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664694	KSOHGYDILMXJFQ-NTEUORMPSA-N	424.125	5.952	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)cc1	1866010656	PUYYBQPMSWSHPQ-UHFFFAOYSA-N	407.684	6.274	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl	2079849250	UOMMXOCCFULWLV-GOSISDBHSA-N	420.937	5.114	10	10	HKCE	
CCC(CC)(CNCc1cc(Br)cc(F)c1O)N(C)Cc1ccccc1	2098947344	DYMMPTVNRXBXDX-UHFFFAOYSA-N	423.370	5.074	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CC[C@H]1CCCN2Cc1ccccc1	2145604763	ORRIUQUOGMDWDE-XMSQKQJNSA-N	405.369	5.233	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H](C)c2cscc2Br)c(Br)c1	2186628900	QVISYSOZPLAFMP-NXEZZACHSA-N	419.182	5.524	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2296382154	REMYWQVJWSXDCH-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
O=C1NC(=S)SC1=Cc1c(OCc2ccccc2Cl)ccc2ccccc12	2297347864	FAEVDWVLKXXCKW-UHFFFAOYSA-N	411.935	5.561	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1cc(Cl)cc(Cl)c1	2313609804	NPTVJDFRKLTYHS-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1Cl	2321609696	YZLKSPVTUWZPQS-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
Cc1ccc(NCc2cc(Br)cc(F)c2O)c(Br)c1C	2361766073	VPPYQMQRPJKKPJ-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
Cc1c(Cl)cccc1/N=N/c1cc(Br)cc(Br)c1O	6473137	JFHKXHSVUOSPCH-ISLYRVAYSA-N	404.489	6.294	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635613	BQHQICPWQPKSAH-PVLDIMPDSA-N	424.544	6.013	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13636061	KSYBJFKDSTXEML-XFAFFCHDSA-N	411.545	6.533	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14467006	VVFACDGOHVZMEB-IUKKYPGJSA-N	424.327	7.318	10	10	HKCE	
O=C1/C(=C/c2ccccc2F)SC(=S)N1c1ccccc1Nc1ccccc1	59397633	KIWRVBVKKSMRSL-ZHZULCJRSA-N	406.507	5.975	10	10	HKCE	
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)/C(=C\c2ccco2)S1	206370590	UNMXPQYLSSVCFA-IOVUBPJKSA-N	415.474	5.443	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(N(C)C)cc2)cc1	526559118	YYAWGCXQAJYSQD-HSZRJFAPSA-N	420.459	5.396	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Br)c1O)c1cccc(Br)c1	708098937	MMTOCWBANXLGMH-VIFPVBQESA-N	419.544	5.421	10	10	HKCE	
Cc1cccc(NCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1C	1083907703	KRPDPAYENXKWCQ-IUXPMGMMSA-N	423.390	5.881	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc3c[nH]nc23)sc(C)c1-c1ccc(C)c(C)c1	1866056622	OWHAHFBXYJINDI-UHFFFAOYSA-N	419.506	5.256	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3ccc(CC(C)(C)C)cc3)c2)c1	1872845023	IQTFNWOYWOKIQD-UHFFFAOYSA-N	416.565	6.173	10	10	HKCE	
COCC(C)(C)N(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	1915439569	WJISOTHSZOHKAX-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915460632	CVWRUJGGHYUNQW-HXUWFJFHSA-N	417.391	5.133	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	2297303026	JRHOTRFDENIQLM-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2C(F)(F)F)cc1OC	2332124232	GWRNNFLXGANFJE-UHFFFAOYSA-N	412.452	5.208	10	10	HKCE	
CCCCCN1CCN(c2ccc(/N=N/c3cnc(OCCCC)nc3)cc2)CC1	5250174	NOMNPEUTBMUPLV-CYYJNZCTSA-N	410.566	5.383	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	9805693	DEADXKUXPPWZRI-IYOUNJFTSA-N	418.718	5.716	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463403	KBOZJTZXWQSQNR-IECBHUPTSA-N	408.973	7.029	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548309	VLFIQQLCORMUOH-ZYLNGJIFSA-N	412.533	5.900	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20749549	XYNJSCYMGBJMAG-MVOZIGHISA-N	411.545	6.533	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(I)cc1Cl	37105478	VFRHKMHCPQGFON-IINYFYTJSA-N	413.686	5.619	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1cc(Br)ccc1Br	37121845	OKWINKBDELBMLE-YGRLFVJLSA-N	411.137	5.886	10	10	HKCE	
CCc1cc(Br)ccc1N[C@H](CC)c1cc(Br)ccc1O	128053339	LBPCLKNGTYSGBE-OAHLLOKOSA-N	413.153	6.043	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	251466531	IXBLDLZFOBVUGO-RQTOMXEWSA-N	416.546	5.622	10	10	HKCE	
O=c1oc2ccc(N=Nc3ccc(Cl)cc3)cc2cc1-c1nc2ccccc2[nH]1	254412111	JRCGWSQOYNGNSY-UHFFFAOYSA-N	400.825	6.405	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1	255066687	VFXMYSQJOLJNSJ-QHCPKHFHSA-N	415.497	5.710	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526181823	DRTIYBASEKTHQK-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526472874	AQPVMGUQUQNVMA-HSZRJFAPSA-N	419.452	5.418	10	10	HKCE	
CC(C)N(C(=O)/C=C/c1cccc(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859892050	VTGPUGAHVQFBPF-JLHYYAGUSA-N	413.448	5.056	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)c1	1860086601	UWRBARMZOGSKRL-KGENOOAVSA-N	418.543	5.850	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Cl)cc(Br)c1	1891186259	MAODSUIHJFKGDP-LIRRHRJNSA-N	419.750	5.021	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1	2297560077	JKVZKCKFCLFCMZ-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
Nc1ccc(N(C(=O)NC=Cc2ccc(Br)cc2)c2ccccc2)cc1	2325909458	LCSONZAGQSNALG-UHFFFAOYSA-N	408.299	5.550	10	10	HKCE	
CCc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1	4729535	SGSSSPWKJGSXRN-TZIWHRDSSA-N	401.348	5.223	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641061	LTTOSZJGXVJENP-XEKQOVJPSA-N	406.309	5.846	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(N)=O)cccc4[C@H]4C=CC[C@H]43)ccc21	13642326	RQLFHTUYKAGSCH-SXMMONRFSA-N	407.517	5.740	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14461942	JYQWBBDKMKIPBC-HFMPRLQTSA-N	403.570	5.499	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543370	CIHIGOPUGCRNIJ-WRALFONMSA-N	416.565	5.784	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549761	FGKOFPHZVQGCBV-AOOPRCNYSA-N	412.508	6.143	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551360	OCEDAURGKUSHRX-HFMPRLQTSA-N	410.583	5.324	10	10	HKCE	
OC1=N[C@H](c2cc(Cc3ccccc3Cl)ccc2O)Nc2sc3c(c21)CCCC3	35668938	YYGRSCQWSUNJNX-NRFANRHFSA-N	424.953	6.006	10	10	HKCE	
CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	83262550	ILNMCFQRUVBVFC-MHWRWJLKSA-N	418.280	5.734	10	10	HKCE	
O=C1/C(=C/c2ccc(OCc3ccccn3)cc2)SC(=S)N1c1ccccc1	84549196	UBTNAILBUODYSJ-ZHZULCJRSA-N	404.516	5.066	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	251387096	VIIMYRWSGYHLMU-KXXRBXEXSA-N	416.974	5.243	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1C	1860076576	LUONKVWXEQWRDV-CXUHLZMHSA-N	404.900	5.271	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860076909	YNUOJWQWCXHMJY-SFQUDFHCSA-N	422.402	6.742	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2O)C(c2ccccc2)=NN1c1cccc2ccccc12	1865654517	WKWQSQWAHAXBNQ-JCMHNJIXSA-N	406.441	5.086	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664674	JOQCTQDJBHXOBI-XSFVSMFZSA-N	423.299	5.837	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1	1865674418	FAFMTPLDKBBKCV-NKFKGCMQSA-N	412.489	5.319	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c2C)cc1	1874142722	YLTOSKDZDLPNFD-UHFFFAOYSA-N	411.505	6.099	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	2034715855	UKEOOGALBHKMCE-UHFFFAOYSA-N	415.297	5.516	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)[C@@H]1C(C)(C)C	2192489618	WYNDAEGJNQPWNU-NVXWUHKLSA-N	417.377	5.213	10	10	HKCE	
CCCN[C@@H](CCCNC(=O)OCc1ccccc1)c1ccc(N(CC)CC)cc1	2236025403	WVXQDIDJNAEFEB-DEOSSOPVSA-N	411.590	5.280	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@H](C)N)cc2Br)s1	2237725913	OYTCCZWQBIKPIX-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
Ic1ccc(N=NN2CCC(Cc3ccccc3)CC2)cc1	2330186165	ZKKOPCLOONDHMM-UHFFFAOYSA-N	405.283	5.245	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457463	NJINPETZHITLOY-KIMHZCHSSA-N	412.917	5.619	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	14460749	APASFXXOOIHGDT-XWCIJXRUSA-N	411.126	6.288	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccccc2Cl)[C@@H]2CC=C[C@H]32)CC1	14466314	GVBGNUHJUORRMF-YZZKKUAISA-N	406.957	6.039	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477321	HWOLHNRGSXXAGK-DOQJBMMISA-N	401.337	6.559	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(Cl)c1	14477447	AEHIWJPWPWSWJW-KHCICDEESA-N	408.328	7.612	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	14478091	NBRUXGAUFBCOTC-IXFSTUDKSA-N	417.509	5.484	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479526	IEQJBWMWDHHWRJ-BCQCSXDESA-N	413.517	6.109	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1OC	14479536	VPVGPFHQLWJVOW-UVPKRVSESA-N	407.510	5.088	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14544162	UVBLWEFQRJIXOF-QSAZIKIQSA-N	406.323	6.437	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550356	KVFLPZJBNIIORJ-AKBCKCPUSA-N	424.544	6.013	10	10	HKCE	
COc1c(Br)cc(Cl)cc1NCc1cc(Cl)cc(Cl)c1O	36981888	LVXNKQQSBVQPBG-UHFFFAOYSA-N	411.510	5.736	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1O)N2	226704013	GGRSHPYFDGKGEG-IMWIBFENSA-N	420.553	5.490	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	226788722	LTULJTYUFQZWEU-PQNGQFLHSA-N	419.525	5.684	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	1084228148	IQDPALZGZNORLM-RCCKNPSSSA-N	418.543	5.845	10	10	HKCE	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1	1084370566	PDRYHJZTZJWPJD-UHFFFAOYSA-N	415.453	5.271	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076635	RGBXUWTZBLBNCV-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865673412	CIFKRUUQSGKKAE-UNOMPAQXSA-N	408.835	5.448	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4cccs4)ccc3[nH]2)cc1	1872734721	UCIUHCIZXHUDGT-UHFFFAOYSA-N	404.539	5.068	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2034780712	AGVORPYCGDPBNX-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
Cc1cc(C=C2C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@@H]1COc2ccccc2O1	2040445110	ZYMOUWKZPLFJNE-GOSISDBHSA-N	420.896	5.091	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1Br	2079972698	YOQQCMZRKOLDGP-HNNXBMFYSA-N	423.351	5.268	10	10	HKCE	
CCN(CC)c1ccc([C@H](O)c2scc(Br)c2Br)cc1	2163101044	XGLJPJQRYHWXEY-AWEZNQCLSA-N	419.182	5.201	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCCOc3ccccc3Cl)c2)SC1=S	2297335665	AXXHVNMBBYDLAP-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2297512858	GVJKFBQVZICNBE-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	2313657279	KBIOOXMKDMLMGU-UHFFFAOYSA-N	407.919	5.279	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)cc1Cl	2321664109	LROXXOBTOKPXJQ-UHFFFAOYSA-N	417.320	5.369	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332119338	CQEBBVQOAATSJK-UHFFFAOYSA-N	402.416	5.128	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccccc1OC(C)C	2332133874	LPZGXFNIXQKJPO-UHFFFAOYSA-N	400.881	5.458	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]2CC=C[C@H]32)CC1	14478179	NEDWPXTWTKOZLA-IXFSTUDKSA-N	417.509	5.293	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544677	WONYJBUIDROMRY-JJHGTGHCSA-N	405.501	6.247	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548300	SOUFZDXNVHOSST-YZIHRLCOSA-N	412.533	5.854	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549058	GQZUNICHPKTZDL-DIIXFEDBSA-N	418.584	7.666	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549176	GXVDVFXPFIISKP-ZYLNGJIFSA-N	410.448	6.867	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549529	XXRUIGZJVJWOPY-FMGHJNRGSA-N	418.540	6.569	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226745830	GVJNTUJTGYRXFO-YVHKJVDXSA-N	416.974	5.197	10	10	HKCE	
Cc1ccccc1-c1ncc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	1859706776	AIHUPFWLTRWWCF-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664930	SGYYIOXGZRNFGY-DHZHZOJOSA-N	400.092	6.106	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)cc1Br	1915189334	ORGKDOCNARZLPX-HTAPYJJXSA-N	419.407	5.287	10	10	HKCE	
O=C(O)c1ccccc1-c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)o1	2297355622	WFBHPOADSUFDHU-UHFFFAOYSA-N	407.472	5.051	10	10	HKCE	
O=C1NC(=S)SC1=Cc1cc(Cl)ccc1OCc1cccc2ccccc12	2313538536	OJKLHYGDVNWCNQ-UHFFFAOYSA-N	411.935	5.561	10	10	HKCE	
Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)n12	2323766811	CQYLQMDDSCLIFF-NSHDSACASA-N	419.984	5.320	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(O)c1Br	2327796788	MSOGDYXBDJDAOC-GOSISDBHSA-N	404.348	5.033	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCCCC1	2992582	CSWZENPLBSWICD-IMSXRSKXSA-N	406.957	6.183	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477339	HWUSAPDVRQJHBZ-LRAJWGHMSA-N	401.337	5.960	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	14547050	SULXPSXJUCVIIB-WJONJSRFSA-N	413.348	6.056	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552065	DKCVKOVTHIUXMF-AWRGLXIESA-N	418.606	6.107	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20716939	ASOPNUKHULMGAI-JQYIIUTOSA-N	408.545	6.488	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1	53363122	LRJGRPNDSGZUHH-WIOPSUGQSA-N	402.494	5.022	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1ccc(-c2ccccc2Br)o1	96663562	ZAVSURCFVVPGAN-CPNJWEJPSA-N	421.294	5.824	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@@H]32)s1	226642613	RGCLBNXLBLDDGH-QYXIYQDXSA-N	414.574	6.752	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226722791	GHLKUJPNEOUJII-SLSDLSHTSA-N	415.581	5.024	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226739735	RUIMFAJRYXIYMI-PNCHPQGNSA-N	412.917	6.500	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226883968	LVJOJBZADYEREM-SLSDLSHTSA-N	410.517	6.164	10	10	HKCE	
COc1cc(N[C@@H](C)c2ccccc2O)c(Br)cc1Br	234965563	VVGAQRYFECPADN-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc(N2N=N2)cc1)c1ccccc1	1081165348	HANUGJYYNNCKLQ-HMVXRPTCSA-N	405.461	5.679	10	10	HKCE	
CCOc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccccc4)cc3c2)cc1	1083862915	RIWHFEPMWLLDSM-UHFFFAOYSA-N	413.433	5.859	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	1865656428	KCYWUZHLNBPVPM-NTCAYCPXSA-N	403.707	5.689	10	10	HKCE	
COc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C(=O)OC(C)(C)C)c(O)c1	2069892171	HCBLPOBWYJVKNB-OAHLLOKOSA-N	400.519	5.210	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2095920780	JWYLCHFEVDKGRD-GOSISDBHSA-N	417.435	6.562	10	10	HKCE	
CC[C@@H](N[C@H](C)c1cc(Br)cs1)c1cc(Br)ccc1O	2177666779	ZOBYJLRFZJOZDW-NOZJJQNGSA-N	419.182	5.781	10	10	HKCE	
Cc1cc(CN(C)c2ccc([C@H](C)N)cc2Br)sc1Br	2202287057	NVUDDBNMQQRFFI-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2314735989	NDJWUQXCJFQWMU-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321721379	SBGVOVBWFQCJHI-UHFFFAOYSA-N	409.454	5.428	10	10	HKCE	
CC[C@@H](C)N(C(=O)C=Cc1ccc(C)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329788209	SUDAIQASZNUXHJ-LJQANCHMSA-N	423.512	5.615	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141208	LCEHKLSLHBOGIX-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468047	PBCYKHXHPLJMEJ-BXTJHSDWSA-N	417.336	5.665	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479602	LAGGYKHWHODWON-ISJBWFOZSA-N	413.517	6.109	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(C)cc(C)cc2C)N3)c1	14553543	HOPAZTXKFYSWTA-FMGHJNRGSA-N	422.572	6.999	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703186	XWCAEOWALJZDIE-MVERNJQCSA-N	412.489	6.309	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Br)cn3)c3ccccn3)c(O)c2n1	46085487	WTBBDIVBKRYDOS-HXUWFJFHSA-N	421.298	5.003	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1	54620422	JQMSSYOULNEKES-QHCPKHFHSA-N	413.477	5.102	10	10	HKCE	
C[C@H]1CCCN(c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])C1	101473397	LXQCXLWVMPZPFQ-FBQNGNFFSA-N	417.473	5.780	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226829319	FDPAMBOCNZZHEX-LOYIFYEOSA-N	424.544	5.842	10	10	HKCE	
Nc1ccc(N(C(=S)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1	242874683	GIGNVOGNFHGPDI-UHFFFAOYSA-N	423.585	6.394	10	10	HKCE	
CCOc1ccc(C)cc1[C@@H](C)NC(=S)N(c1ccccc1)c1ccc(N)cc1	243705294	PMHZDMSSDXCPBB-GOSISDBHSA-N	405.567	5.750	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)N1CCCCCC1	250206017	VIHIKQWEQDIELQ-YDIMBITNSA-N	406.957	6.183	10	10	HKCE	
O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086157	NGTBZQRFDBNDAW-RCCKNPSSSA-N	403.528	5.671	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2ccc(Br)cc2)o1	2053497997	FOLJNTIADWOFLO-UHFFFAOYSA-N	417.328	5.165	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2079992745	IPVZMYRJFYBKFS-HXUWFJFHSA-N	404.938	5.549	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)cc1Br	2095946295	ZVLYDFQPLFYFMX-LJQANCHMSA-N	417.435	6.246	10	10	HKCE	
CC[C@H](NCc1scc(C)c1Br)c1cc(Br)ccc1O	2156999857	FMDTVOOKBKDFAJ-LBPRGKRZSA-N	419.182	5.528	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cccc2c(O)cccc12	2321647146	DUPSXMPBZAVVEM-UHFFFAOYSA-N	402.500	5.433	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1	2332099972	YACYEXCZUISRPD-UHFFFAOYSA-N	408.545	6.123	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2CC)cc1OCC	2332107033	HMDALRYOPRCPJO-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Cl)ccc1O	2332107612	NFKINZJMWOWDMF-UHFFFAOYSA-N	409.700	5.939	10	10	HKCE	
CC(C)CNc1cc(N2C[C@H](C)C[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	6737902	DKTAJTYPLNAUOD-HZPDHXFCSA-N	403.526	5.589	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639237	CBIPDGRRENUFQU-BBTUJRGHSA-N	414.343	5.691	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	13645039	AXEGJRCFYVLTHN-ZEVJAHDQSA-N	417.597	5.841	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14460523	NBFUNIYHMGJABX-ZEVJAHDQSA-N	417.936	6.624	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461191	NYLITMLDNUZGDG-CKJXQJPGSA-N	414.343	6.160	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463458	IOMDTXAPFMGKGM-XFAFFCHDSA-N	416.609	6.899	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466203	GLPWBXPUIHANJW-JXQFQVJHSA-N	414.936	6.097	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469667	ZYFIOZFKFYTNLB-SKPFHBQLSA-N	414.461	5.706	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475592	SCDKSUFNBJZLCA-TTZMFTMZSA-N	424.544	5.575	10	10	HKCE	
CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S	33703099	JIPPAEVWQVQEGO-NHQRWSAVSA-N	423.559	5.307	10	10	HKCE	
CC[C@@H](Nc1cc(Br)cc(OC)c1)c1cc(Br)ccc1O	168987363	ZMFKEHBTKDCPBJ-OAHLLOKOSA-N	415.125	5.489	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@@H]2C=CC[C@@H]21	226901610	PEINXZXFRYNTRD-JCECZYFLSA-N	413.517	5.930	10	10	HKCE	
COc1ccccc1CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858589024	MEGWLCSBUFMVCH-CXUHLZMHSA-N	410.347	5.403	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860073403	BPSSSTNHBCKJCS-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860073413	CQFAYPOBWXZFCF-RIYZIHGNSA-N	414.766	6.361	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(N)ccc2Cl)sc(C)c1-c1ccc(C)cc1	1866096761	IVTGWABFPCUHGS-UHFFFAOYSA-N	414.914	5.306	10	10	HKCE	
CCCCOc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871107832	HEDXBLJBNQEQQU-UHFFFAOYSA-N	421.541	5.029	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1	1872852084	XGCOORKUUOZEJU-UHFFFAOYSA-N	416.521	5.297	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](O)CC)c(Br)c1	1915399651	OLMKOPYAHMPDHC-PXNSSMCTSA-N	419.407	5.287	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080000643	XRCRETZVZLCOQH-SFHVURJKSA-N	402.922	5.087	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S	2296538173	CTPSGSQJQXIPOG-UHFFFAOYSA-N	419.575	5.377	10	10	HKCE	
CCN1C(=O)C(=CC=C2Sc3ccc(-c4ccccc4)cc3N2CC)SC1=S	2297298223	MHCSYPJEEZMWRW-UHFFFAOYSA-N	424.616	5.891	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1C	2297534926	GQYSBNVMEUFHLK-UHFFFAOYSA-N	410.347	5.722	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(Cl)c1	2313510798	RZZBMOKJHDDZQA-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc[nH]2)sc(C)c1-c1ccc(Cl)cc1	2321270363	LUXGYBLGMHIADE-UHFFFAOYSA-N	414.914	5.534	10	10	HKCE	
CCC1=NN(C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	2332133026	UNGHWZCGRGVKAT-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2ccccc2s1	1659172	WJMZWTVDTJOJFC-XMHGGMMESA-N	415.905	5.784	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)cc1	6404547	UMWAPCIEERQAGE-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469382	AMSWPGVQCSXARA-DPZBCOQUSA-N	410.517	6.051	10	10	HKCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2ccccc2C(F)(F)F)o1	27344976	MFDNWHKVARAHQP-UHFFFAOYSA-N	414.335	5.148	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3C)c3ccc(F)cc3)c(O)c2n1	54621674	CUQWJQCWABAXCH-QFIPXVFZSA-N	406.888	6.551	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(Cl)c3)c3ccccn3)c(O)c2n1	54621845	GRPHZBBOWQGJIJ-NRFANRHFSA-N	410.304	6.152	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226672491	NOOHABGKPJVXHP-LLGFUMIMSA-N	415.318	6.043	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1	226715218	MKIFZKXMUVVQEW-VIICAESSSA-N	410.517	5.139	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226859185	KJMWDFQDCCOZJA-YZIHRLCOSA-N	424.544	5.494	10	10	HKCE	
CC1=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@@H]2C1(C)C	247981880	XJJYBALJTNSPDP-DSITVLBTSA-N	414.505	5.732	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	251333453	JBDBFJUXOJVUHR-AUSRVFDOSA-N	404.337	6.703	10	10	HKCE	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1	255497011	PWLCZROOMQEMBD-UHFFFAOYSA-N	406.530	5.552	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(Br)c1	384165467	RMOFNBHCMGYVCJ-IEBWSBKVSA-N	417.391	5.163	10	10	HKCE	
Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H]4CCCC[C@@H]4C)C3=O)n12	1858589948	QLRQWGXMGWJMIM-JVJNQSDNSA-N	412.005	5.138	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	1858591295	BNGWRXISUVPGSA-GZTJUZNOSA-N	423.481	5.506	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865656325	DZMAVXDCCDSQIE-STZFKDTASA-N	407.300	5.824	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2cc(C)ccc2C)N=C1C(F)(F)F	1865674638	PJGKUVVOMLKAFI-UYRXBGFRSA-N	416.443	5.436	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1	1866094119	FQYLEKAPWDJNNF-XMMPIXPASA-N	407.602	5.007	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Br	1915124817	RVDDYQMUOLRLMW-KRWDZBQOSA-N	413.359	5.919	10	10	HKCE	
CC(C)CCOc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1	2296538207	FOIWUJJUXGJNSI-KRWDZBQOSA-N	411.592	6.074	10	10	HKCE	
S=C(C=C1SC(Cc2ccccc2)=C(c2ccccc2)S1)c1ccccc1	2297463808	AUKHPGMZMDZNAO-UHFFFAOYSA-N	402.609	7.338	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1	2321703777	STFQHJYRCKYPGP-UHFFFAOYSA-N	412.580	5.193	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466762	NJUKCGDGRJZKFF-VOLVWJTLSA-N	408.929	5.075	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468073	VXEPVSTWGXOTFG-BIENJYKASA-N	403.309	5.227	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477292	IKMQJQRVVJSKCK-PONJGIIJSA-N	415.364	6.350	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546628	MSODWZFZLZCKIP-VTJXTGGHSA-N	402.321	6.387	10	10	HKCE	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1	33441599	HUFTZYLXECYBFL-CPNJWEJPSA-N	423.584	6.141	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2)C=C1c1ccccc1	33674564	TYGJNODRSXMDKD-HKWRFOASSA-N	416.318	6.229	10	10	HKCE	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1	40564257	CACROHVSBCDKTN-AQTBWJFISA-N	415.536	5.101	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	250800336	DOEDBGLTFHOYMH-LGVFNWMJSA-N	408.567	5.124	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cc(Cl)cc(Cl)c1	1084008224	IYYSWUMEFUALFE-LHHJGKSTSA-N	411.291	5.307	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)c1	1860083858	AIGHAGUKHOBEAT-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1	1865656833	UVXLNMIBCUYNTJ-MHWRWJLKSA-N	407.728	6.229	10	10	HKCE	
Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2Br)c(O)c1	2079007253	PLVFHIRXBWKPMC-SFHVURJKSA-N	419.319	5.015	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079970402	RLADNHJWOQFUBN-IBGZPJMESA-N	404.938	5.549	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(Br)c1	2231471915	MHFGUPHYAHFIKP-ZWKOTPCHSA-N	419.407	5.115	10	10	HKCE	
Cc1cccc(NC(=O)CN2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1	2314842374	SNOXRBYPOPOKFY-UHFFFAOYSA-N	424.591	5.132	10	10	HKCE	
Cc1ccc(-c2nc(-c3cccnc3)ncc2/N=N/c2cc(Cl)cc(Cl)c2)cc1	12955194	DADUKGRPVZDQTG-ZQHSETAFSA-N	420.303	7.236	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463007	GRLPFYJDHIHMFO-YZUZCNPQSA-N	402.538	5.109	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc4ccccc24)N3)CC1	14464533	DXYMKVIGPICXLR-AGJHTDJMSA-N	422.572	6.538	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476845	FDPAMBOCNZZHEX-OREGWCPLSA-N	424.544	5.842	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478796	IGVXOLCPDJCEBN-RZOLNQLPSA-N	408.545	6.313	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc1)CC[C@@H](C)C2	20532491	SSVHYWMEZXNGEW-NJYVYQBISA-N	421.629	5.008	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678572	SUOGDQFSTRBFLS-PLXFJCCSSA-N	424.544	5.494	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S	40928399	LVBOFPWLXMYEPY-OBGWFSINSA-N	419.612	5.309	10	10	HKCE	
CC[C@H](Nc1ccc(F)c(Br)c1)c1cc(Br)ccc1O	163806060	ISGTVSVLMXUBAV-AWEZNQCLSA-N	403.089	5.620	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccc(F)cc4)n3)cc2)cc1	1857850525	QKIHKFWJPKITKR-UHFFFAOYSA-N	406.551	6.632	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	1860074772	LYQJBLZTPVOPTL-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c2ccccc21	1865670744	OWRKLJDUVGZYDK-HAHDFKILSA-N	409.464	5.148	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1	1865670878	WZNKKDGLWOGDCY-AQTBWJFISA-N	423.335	5.654	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1OC	1865671079	JFCLOMTXWFCECX-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1	2296879800	CXMAAVOCFYXCBV-UHFFFAOYSA-N	407.564	5.420	10	10	HKCE	
COc1ccc(N2C(=O)C(=C(C)c3ccc(Cl)cc3)SC2=S)c(OC)c1	2314539105	LARCDKPNHPYEDX-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1CCc1c[nH]c2ccccc12	2321618017	ILEPHSNVEPHRRG-UHFFFAOYSA-N	416.930	5.404	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131411	PFZBXKQNKBWUKK-UHFFFAOYSA-N	403.869	5.120	10	10	HKCE	
CC(C)[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729944	PMAFALHVXTYBAT-IEBWSBKVSA-N	407.739	5.314	10	10	HKCE	
O=C(COc1cccc(Cl)c1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	5604354	IDPZYRICUVERNF-RUZDIDTESA-N	417.892	5.483	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Cl)cc2)[C@H]2CC=C[C@H]32)CC1	14465255	WSEDJNUBHVGRLB-JTAQYXEDSA-N	406.957	6.039	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21)C1CCCCC1	14474319	NGTMWJIMVJVGKK-AXHZCLLHSA-N	402.538	5.623	10	10	HKCE	
C1=C[C@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475401	UEVWVYYFPPGCMU-ALTZYDRJSA-N	403.525	7.245	10	10	HKCE	
CCc1ccccc1NC(=O)CN1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S	33330985	PQWRXHZYAODHML-LWIMMYMYSA-N	422.575	5.035	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)c(Cl)c3)c3ccccn3)c(O)c2n1	54621848	GRPHZBBOWQGJIJ-OAQYLSRUSA-N	410.304	6.152	10	10	HKCE	
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C2CCCCC2)SC1=S	100199207	ZTYUVRKYGLPPML-ICFOKQHNSA-N	411.017	5.634	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226746345	OWQGXZQRYZRYDE-OHUGHZGNSA-N	417.936	6.624	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c1	226869942	FDPYUXQTYZNELD-SLSDLSHTSA-N	400.566	6.226	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNCc1cc(Cl)sc1Cl	708077212	PVGDTJRTAPHWIS-UHFFFAOYSA-N	401.540	5.466	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	1865664504	GIVPGLJRLWJIKC-LCYFTJDESA-N	415.198	5.351	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865674188	RQPCLBLDDRGOLG-HMMYKYKNSA-N	417.896	5.510	10	10	HKCE	
COc1ccc(N2CCN(C(=O)[C@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1	1867942707	YOWCEJSFMUHMAM-NRFANRHFSA-N	421.368	5.090	10	10	HKCE	
Cc1ccc([C@H](CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1	1868170630	FXQYIQSHJZSEKR-JOCHJYFZSA-N	411.501	5.539	10	10	HKCE	
CCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871057480	PQQFWWFTLCURPX-UHFFFAOYSA-N	417.553	5.959	10	10	HKCE	
CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)s1	1891589703	UYISKXNLHQTVJP-UHFFFAOYSA-N	419.380	5.542	10	10	HKCE	
CC1(NC(=O)OC(C)(C)C)CCC(NCc2cc(Cl)cc(Cl)c2O)CC1	1924761575	GCWWXYYGXJFTCY-UHFFFAOYSA-N	403.350	5.015	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	2034711927	ABRPNVLGZQWZAE-UHFFFAOYSA-N	415.297	5.518	10	10	HKCE	
CC(C)c1nn(Cc2cccc(Br)c2O)c(Br)c1C(C)C	2079697903	CBHLJIZFIUGHFO-UHFFFAOYSA-N	416.157	5.409	10	10	HKCE	
CC[C@H](N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)c1cc(Br)ccc1O	2100144656	CDBHKPMBXBLYBN-ZVDOUQERSA-N	418.375	5.579	10	10	HKCE	
Cc1c(NCc2cc(Br)ccc2O)ccc(Br)c1Cl	2138178236	ZWKRBWNHTJZFOD-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2223535513	OTUCVWOTEZLPPP-KRWDZBQOSA-N	401.392	5.754	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296729482	PZFTVJAZJWHCHQ-UHFFFAOYSA-N	419.575	5.397	10	10	HKCE	
Cn1cc(C=Cc2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21	2297363440	FQFIFDBDVYHTNI-UHFFFAOYSA-N	405.501	5.301	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1	2313681857	PAGRSSAQAHZQDL-UHFFFAOYSA-N	411.546	5.293	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709048	WTPQAPWRGUMVFV-UHFFFAOYSA-N	424.497	5.356	10	10	HKCE	
COc1ccccc1CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323759404	WKWRINFNJDCTRL-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	2332130662	MREWNLUTXYVKML-UHFFFAOYSA-N	409.533	5.363	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2C)ccc1OCc1ccccc1C	2332133760	XBOHWYRJEXYDQH-UHFFFAOYSA-N	406.526	5.230	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	2332141738	VAXWQFQFBGFHGF-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccccc2OC)cc1	2332143399	QVMGLTTYHKPEOC-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464029	OMNAGYWTTHIUHZ-WFIHMLKPSA-N	422.572	6.729	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465588	WYHWFVWWWHFFGK-XFQAVAEZSA-N	401.337	6.559	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14466530	OWQGXZQRYZRYDE-RLSLOFABSA-N	417.936	6.624	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1	14479968	ITHIEARWUICTKX-HWBMXIPRSA-N	422.594	5.242	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480109	JQOOPRMVTZBTSZ-PPJWLVRDSA-N	408.545	6.094	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	14544003	XVCSMHMUIJRWRM-CTVOUCONSA-N	419.524	7.467	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544678	WONYJBUIDROMRY-OFUUFJSKSA-N	405.501	6.247	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546100	WDOARMDOWCSJHL-JXQFQVJHSA-N	402.538	5.584	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccccc1-c1ccccc1	17089576	MGDSAFOSOZYGDN-XIEYBQDHSA-N	413.496	6.382	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363525	OZLHEDSIVWQAMT-ILBGXUMGSA-N	404.941	6.139	10	10	HKCE	
Cn1cc(/C=C2/C(=O)N(CN3CCCCCC3)c3cc(Cl)ccc32)c2ccccc21	97514589	CGNURARBAHRMDM-HYARGMPZSA-N	419.956	5.552	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226695701	PWEPJVVQSPJDOB-VWKPWSFCSA-N	400.862	5.100	10	10	HKCE	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(-c2ccccc2F)c1C	247854325	XEHBBYHMJDBOTF-UHFFFAOYSA-N	402.473	5.288	10	10	HKCE	
COc1ccc(-c2csc(N3N=C(C)[C@@H](N=Nc4cccc(C)c4)C3=O)n2)cc1	575733009	QCADXQHJRYMBHX-LJQANCHMSA-N	405.483	5.002	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)SC1=S	1858591125	YSYIVGLEPBFGKI-NISQSXRWSA-N	407.601	5.654	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	1860086312	XSBUEQFCZPPRLW-HYARGMPZSA-N	419.571	6.280	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1	1865674839	ASGUOSOXZJEAGG-NLRVBDNBSA-N	409.533	5.515	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865680009	RYESOJXKFBANQU-STZFKDTASA-N	417.852	5.078	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc(C)c1-c1ccc(Cl)cc1	1865979631	VEEPKWFFGVJSAW-UHFFFAOYSA-N	419.955	6.176	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccccc1CCc1ccccc1	1891719732	GJGAFNYEMOHJPT-OZXSUGGESA-N	410.561	5.391	10	10	HKCE	
CC(C)(C)c1ccc(OCc2c(Cl)cccc2Cl)c(/N=N/c2ccccc2)c1	2295356097	KAWCFKRRFFYFLP-CYYJNZCTSA-N	413.348	8.285	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	2297559831	NFVXLZQNFSZBEJ-UHFFFAOYSA-N	411.470	5.823	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3cc(C)n(-c4cccnc4)c3C)SC2=S)cc1	2297560586	QBHVDLIWQGYYDS-UHFFFAOYSA-N	419.575	5.199	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1O	2332098160	VHKSWZNLKXLKEU-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccc(O)cc2)[C@@H]2CC=C[C@H]32)cc1C	13637585	OMDUBRZPWRARLR-FBLLAGFSSA-N	410.517	6.088	10	10	HKCE	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640774	OAICMBVHVXZLMP-PJSUUKDQSA-N	406.309	5.846	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC)ccc(OC)c4[C@H]4C=CC[C@H]43)ccc21	13642475	WVQXAJQCVCCDQN-VKIDHGPPSA-N	424.544	6.658	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14469198	AMHWEWIKCOINIY-JXQFQVJHSA-N	420.509	5.042	10	10	HKCE	
CC[C@@H](C)n1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc21	33918709	ZCJNBJASVDSGDD-VCRXTVNUSA-N	405.429	5.258	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N12	49589741	HXXUXZPCTZUGTA-GMFWLFBISA-N	423.925	5.394	10	10	HKCE	
Oc1c([C@H](Nc2ccccc2C(F)(F)F)c2cccs2)ccc2cccnc12	54619547	QGVXKRAUOVTVHJ-IBGZPJMESA-N	400.425	6.222	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=S	97411162	XFLPPDHQUWVTAV-DABDWFRDSA-N	409.507	6.048	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S	208283330	NCMZHJXQOZYJKQ-CPNJWEJPSA-N	411.596	5.001	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226662489	LUTGDELHSMOMHS-UMFSSWHCSA-N	409.533	5.831	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910736	MLUPNUVFZTVNOO-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	1860086092	JMWBBKFMNNQEOL-CXUHLZMHSA-N	404.354	5.472	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CCC)cc1OCC	1865666575	MXUFNZABUXYJKK-LVZFUZTISA-N	421.541	5.636	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	1865669221	HYALHLHWCYOYSJ-HYARGMPZSA-N	420.553	5.620	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1ccc(C)cc1	1866095955	BLARCSXFVDAOJH-UHFFFAOYSA-N	400.887	5.119	10	10	HKCE	
Cc1ccc(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c(C(C)(C)C)c1	1872855145	IOPWZWCAGGBWAI-UHFFFAOYSA-N	416.565	6.190	10	10	HKCE	
CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCC)C1=O	1873164667	MKGDCLGFVKDJEF-UHFFFAOYSA-N	421.585	5.144	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100206208	BGILAUMTCSTCKS-NPFVIJTESA-N	417.391	5.304	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)[C@H]1C(C)(C)C	2192489620	WYNDAEGJNQPWNU-RDJZCZTQSA-N	417.377	5.213	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S	2293116076	YHHZEBWNPXIUEW-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC2CCCCCC2)cc1	2313682413	BYMVOILBCITKRB-UHFFFAOYSA-N	421.516	5.172	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	2321730161	JNYMRUNWXVMFDW-UHFFFAOYSA-N	416.999	5.588	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OCC	2323790889	SDHISBGVBDAQCR-RDJZCZTQSA-N	419.612	5.654	10	10	HKCE	
CCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCc2ccccn2)c1C	4418209	CFMHVLGQUSCWKD-UHFFFAOYSA-N	411.505	5.176	10	10	HKCE	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)C1	6782085	ADOVDINPHCPOPV-CYFREDJKSA-N	414.549	5.178	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	13645030	AXEGJRCFYVLTHN-UMFSSWHCSA-N	417.597	5.841	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21	14543987	XRSFFHGWAMKICL-YZZKKUAISA-N	406.323	6.437	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549135	QTQCNKDVWXTWFP-PRVBGKCFSA-N	419.524	6.996	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550385	UBDWBIAJIHJVQM-AWRGLXIESA-N	402.538	5.394	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703174	NOIHVSWYEMCGSL-TVZXLZGTSA-N	412.489	6.309	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1Cl	526420130	BCRJZHAUQGKKPH-LJQANCHMSA-N	413.882	5.178	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F	705536802	DCHHSHUBFITTLT-LJQANCHMSA-N	412.499	6.583	10	10	HKCE	
Cc1cc(F)c(Br)cc1NCc1cc(Br)cc(F)c1O	715744491	HVUNJJFORPGJPX-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(N2CCCCC2)cc1	1860085725	WJVHWCBAXWSGGW-KGENOOAVSA-N	419.575	5.564	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	1860086377	CLWOAVFDJYZOAE-GZTJUZNOSA-N	423.481	5.898	10	10	HKCE	
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc1	1865931727	PCTNZZMTCKESTL-UHFFFAOYSA-N	416.565	5.955	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(-c2ccccc2)c1	1891710190	LXVVIKSHORQYOK-UHFFFAOYSA-N	410.495	5.417	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C(C)(C)COC)c(Br)c1	1915495273	BZSQZJRENLLPHD-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	2243958177	IAROUYGJGGWQNG-HSZRJFAPSA-N	401.598	5.414	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=C2Sc3ccc(Cl)cc3N2C)SC1=S	2295196154	YSPKQKWJPKHKKR-LLVKDONJSA-N	418.996	5.673	10	10	HKCE	
O=C1C(=Cc2cccc(Br)c2)SC(=S)N1c1cccc(Cl)c1	2297303041	NTPVTYNAPQPAJG-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CCOC(=O)c1ccc(C=C2C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1	2297452815	UFKLFJXGPQBDTQ-UHFFFAOYSA-N	409.485	5.643	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	2297470042	NWZOKQXLPSTAMY-UHFFFAOYSA-N	423.517	5.043	10	10	HKCE	
Cc1ccccc1NCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2313503120	RCEQTNCRIIETJE-UHFFFAOYSA-N	409.363	5.573	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccc(F)c(Cl)c1	2321579683	KZTIGYCYOOTGAF-UHFFFAOYSA-N	400.283	5.244	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099374	OMDYNTIMILXPAC-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Cc1cc(Br)c(O)cc1NCc1cc(Cl)cc(Br)c1O	2370426050	KWFUDGUKTQUHFY-UHFFFAOYSA-N	421.516	5.197	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	14472491	MMRYWHATPBOGMI-LGVFNWMJSA-N	411.461	5.674	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546869	RDMWXXWQMHJZRE-CGSMKXTHSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@H]2CC=C[C@H]32)cc1C	14548761	KSQULPQNYAEGRT-WWEVIYMKSA-N	400.547	6.444	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(O)c1	20682195	QDJBRALZXBKBNQ-UMEGOILYSA-N	415.489	5.382	10	10	HKCE	
CCCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21	40839846	TYEUSCWDXOYXNF-HNENSFHCSA-N	414.596	5.128	10	10	HKCE	
Cn1cc(/C=C\c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21	96505337	FQFIFDBDVYHTNI-NXVVXOECSA-N	405.501	5.301	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21)N1CCCC1	226829476	NGTWEQRHZHCACC-WIEQDCTASA-N	413.348	6.056	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1C(F)(F)F	1084303180	HSNHNRYLXXIBQP-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CCc1ccc(O)cc1	1858587897	GVUAMVKCTIETPK-MHWRWJLKSA-N	410.347	5.143	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCC	1858590044	VDYKHFNOBQEYSU-FTRLWIBISA-N	405.585	5.264	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1cccc2c(O)cccc12	1860085023	GYPAPAGTKXTDSN-VCHYOVAHSA-N	413.907	5.310	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	1860085664	ILRNTRMEAHBCEY-RCCKNPSSSA-N	411.592	6.395	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675970	KAQQXYVALZLDGO-PTGBLXJZSA-N	410.473	5.492	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)cc4)ccc3[nH]2)cc1	1872734934	YNDAIVZKZHTXGD-UHFFFAOYSA-N	402.473	5.468	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(Br)c1	1915456206	GMLANRNKQUSSQE-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
CCN(CC)c1ccc([C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)cc1	1977941848	QFYIZSOBHNCNND-QHCPKHFHSA-N	411.590	5.231	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Cl	2080023670	YWGJCIRUMPWMFI-LJQANCHMSA-N	418.921	5.084	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)CC2(CCC2)C1	2151122183	QPRCGUAAWNTBBE-IBGZPJMESA-N	405.369	5.233	10	10	HKCE	
Clc1ccccc1COc1ccc(Br)cc1/N=N/c1ccccc1	2295356296	ZZIJWVVWGSVNER-GHVJWSGMSA-N	401.691	7.097	10	10	HKCE	
O=C(C=Cc1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1	2296441418	GXQVKTRLDIKLCQ-AREMUKBSSA-N	418.496	5.937	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2321660788	XWYDBIVHXZDGER-UHFFFAOYSA-N	408.331	5.602	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1cccc2ccccc12	2332144745	KNLHNAZNIOUFDK-UHFFFAOYSA-N	419.440	5.583	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3O)C2)cc1	4730040	FIKBKRWWPDWUPY-FYYLOGMGSA-N	411.332	6.230	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701641	YNXAMIFHSZFXJY-KPHUOKFYSA-N	417.336	5.665	10	10	HKCE	
CC1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1	102476556	NGRNOPIIKCAHJQ-WOJGMQOQSA-N	421.349	5.956	10	10	HKCE	
COc1ccc2[nH]cc(/C=C\c3nc4ccccc4c(=O)n3Cc3ccccc3)c2c1	102720425	WBCOSDZHEJLNMD-KAMYIIQDSA-N	407.473	5.105	10	10	HKCE	
CC1(C)[C@H](NCc2cc(Cl)cc(Br)c2O)C[C@H]1OCc1ccccc1	708192825	QUPHGXXYCNTAEP-QZTJIDSGSA-N	424.766	5.282	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-]	1865678205	ZHDIRTBFQXSALQ-GXDHUFHOSA-N	404.253	5.093	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2095888345	FNJPRHKMUZWESV-SFHVURJKSA-N	415.419	6.459	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC	2321734000	ASVLCSREXRUSIG-UHFFFAOYSA-N	417.577	5.222	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113829	NRYKDQSQCVWONM-UHFFFAOYSA-N	422.887	5.833	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc1OCC	2332114028	KZKDEARRQNDNFQ-UHFFFAOYSA-N	420.553	5.846	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134415	VZYVHRJZPMQZGU-UHFFFAOYSA-N	419.868	5.988	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl	1160345	RYYYFFTXMNDWKA-FRKPEAEDSA-N	405.331	5.881	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCC1	13639376	MTWZOMYMUFGQCP-NNMXDRDESA-N	423.354	5.512	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458017	IQDVFUKWESKMSB-BOCWGRARSA-N	409.573	7.060	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458042	IBUTXXYOYQUXFO-JCGRVDTESA-N	423.600	7.450	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463041	VTAIQAXVQAPZJK-FBLLAGFSSA-N	400.566	6.263	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465088	HXIMPCSTCDQPQI-SXWKCWPCSA-N	406.957	6.229	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(OC)ccc(OC)c4[C@@H]4C=CC[C@H]43)ccc21	20684401	WVQXAJQCVCCDQN-DVHCVUMVSA-N	424.544	6.658	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	20696295	UAYFAKNCLMIFRJ-ZOCZFRKYSA-N	414.343	6.016	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	33332256	LLJZJAAICNRPKR-FRYOISGKSA-N	417.321	5.178	10	10	HKCE	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	35131136	KAJOMFIHBWQVPB-GZTJUZNOSA-N	407.322	5.710	10	10	HKCE	
COc1cc(Br)cc(NCc2cc(Cl)cc(Br)c2O)c1	708111493	SOFXPWTZCNMUPV-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
C[C@H](NCc1cc(Cl)cc(Br)c1O)c1ccc(Br)cc1	708111499	SPRFNLSOYCGXPI-VIFPVBQESA-N	419.544	5.421	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858590196	BOXQTDZPNJUUDK-NTEUORMPSA-N	402.412	6.409	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	1860074828	QQTYPNVCTBTWPZ-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860074946	BJSUGUKKFSOGFG-RIYZIHGNSA-N	414.766	6.361	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc(C(C)C)cc2)C1=O	1860084367	URKYJLGTUKDXPR-RQZCQDPDSA-N	413.593	5.542	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccccc2Oc2ccccc2)c1C	1874142473	JYNMQCFHYSSSNP-UHFFFAOYSA-N	412.489	6.147	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1ncc(C2CCCCC2)c1Br	2070288437	PXGAXVTXNAYPIZ-UHFFFAOYSA-N	403.242	5.466	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079972518	VZLKMMRDUQOLQK-LJQANCHMSA-N	406.954	5.795	10	10	HKCE	
CC[C@H](Nc1ccc(Cl)c(I)c1Cl)c1ccccc1O	2150345836	YSHUSLCHTDNCAW-NSHDSACASA-N	422.093	5.867	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc(C)c1-c1ccccc1	2314754091	KMVWBFBZDXRUDI-UHFFFAOYSA-N	411.910	5.815	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2318756121	HUITWGPQGPMFKT-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1Cl	2321666846	RQKZEOWYHFOLLS-UHFFFAOYSA-N	401.984	6.352	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332097820	FNXFRPNOALITLC-UHFFFAOYSA-N	424.125	5.558	10	10	HKCE	
Cc1ccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	2332104981	KVFBEEWYDIPKIR-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12	2332132602	QYYVQIDQGBFMNN-UHFFFAOYSA-N	412.533	6.211	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	2332141665	OHDTVXONTDWBAP-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
COc1cc(Cl)c(/C=C2/SC(=S)N(CCC3CCCC3)C2=O)cc1OC	1133604	DNUVLPLQOQJMQK-LICLKQGHSA-N	411.976	5.139	10	10	HKCE	
CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@@H](C)CC)ccc21	3585590	XRIDALCWBYRSNY-NRFANRHFSA-N	423.670	6.545	10	10	HKCE	
Cc1c(C(=O)NCc2ccco2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1	4417467	QGUSWJCDZBDCDM-UHFFFAOYSA-N	408.860	5.768	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460867	IMPPOLCQKRFDTC-IQUTYRLHSA-N	401.260	5.198	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477121	KFQAFUUSZXDYPX-MNVSYLFESA-N	401.337	5.958	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	14479619	ZPFPMLBAJUUGDW-IXFSTUDKSA-N	406.526	5.060	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(-c3cccs3)o2)c1C	59271004	TUOLXEVATJYRQK-UHFFFAOYSA-N	409.536	5.489	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1O)N2	226704027	GGRSHPYFDGKGEG-IECBHUPTSA-N	420.553	5.490	10	10	HKCE	
C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)no3)ccc2O1	254520712	QJJZZDZNYCBQRR-MRXNPFEDSA-N	424.460	6.333	10	10	HKCE	
Cc1ccc(OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(Br)c1	1084344497	UDKXUHOPRBIAPD-UHFFFAOYSA-N	424.298	6.190	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865674353	BCKOLSMFMZSLLQ-HMMYKYKNSA-N	417.896	5.510	10	10	HKCE	
COc1cccc(COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1	1871287893	ZMOUXMZGVUJIGX-UDWIEESQSA-N	413.564	5.131	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1	2296707943	ZQPJQDLZWFPXIJ-UHFFFAOYSA-N	417.555	6.189	10	10	HKCE	
CCOc1ccccc1C=CC(=O)Nc1ccc2nc(N(CC)CC)cc(C)c2c1	2297333266	KJFWPYOTEZWINP-UHFFFAOYSA-N	403.526	5.440	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1	2313681431	DRXYGDCRUXMQQK-UHFFFAOYSA-N	416.840	5.276	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cccc3ccccc23)cc1	2332099810	HDIFQUHACMLXCI-UHFFFAOYSA-N	418.496	5.991	10	10	HKCE	
CCc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1	4729530	SGSSSPWKJGSXRN-PZJWPPBQSA-N	401.348	5.223	10	10	HKCE	
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S	6462995	LFZSBOVLKQGJGG-DHDCSXOGSA-N	408.342	5.239	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635513	SUOGDQFSTRBFLS-FXSPECFOSA-N	424.544	5.494	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(O)c1	13640223	UEMNUECSCFOROG-LZCXECNNSA-N	415.489	5.382	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O	14457364	ONFSVVBVSMAHMV-OREGWCPLSA-N	413.517	5.849	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462000	WYRPFBXSRVYQLL-NLJOTIRTSA-N	404.598	6.784	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14471972	UIFDJJSMJVRYOT-MZKRTTBSSA-N	417.509	5.438	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547063	SRISMDXKOXIWMI-VTJXTGGHSA-N	415.364	6.348	10	10	HKCE	
CCOc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1	34973544	PEKGUSKFFZKZKW-UHFFFAOYSA-N	419.525	5.399	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2cccc(Br)c2)c(Br)c1	110359274	BEQWBGUOCQKIBN-LBPRGKRZSA-N	412.169	5.128	10	10	HKCE	
CC[C@H](Nc1cccc(NC(=O)OC(C)(C)C)c1)c1cc(Br)ccc1O	311310741	UXFKTTLQJKQTSE-KRWDZBQOSA-N	421.335	6.065	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865669947	ZSPWWPTUVPMEPB-PLRJNAJWSA-N	418.496	6.073	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677628	USIXHDWVMGPUSE-BUVRLJJBSA-N	414.480	5.281	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079998871	DNBLAPSUVMXMLS-IBGZPJMESA-N	402.922	5.303	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccccc1F	2297624903	DACAFUPOWAVHIG-UHFFFAOYSA-N	415.898	6.145	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321594047	ZQEYCBIUEZLTEW-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CC(=O)Nc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	2330251268	FCICFGTWARJPAF-UHFFFAOYSA-N	413.525	5.051	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1Cc1ccccc1	2332104270	QIYVCQSCXQKKQZ-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c1	2332116660	LUJBQWQWAZRVMX-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	2332122518	ZPMIGMURRCWXKU-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
O=c1[nH]c(/C(Cl)=C/c2ccc(N3CCCCC3)cc2)nc2sc3c(c12)CCC3	7488905	LCISFPIQOLWQHS-LGMDPLHJSA-N	411.958	5.201	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc5ccccc45)[C@H]4C=CC[C@@H]43)ccc21	13642077	KMZYHZDVUIYMQE-AQGBOPFGSA-N	414.552	7.794	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457884	OQNWPNPHUZADPE-FAHANXHHSA-N	422.572	6.368	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467815	VHPRHOJUCROLQN-MDOVXXIYSA-N	420.336	5.941	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477266	KMFNOGLLGAZPJC-TWJGEFDFSA-N	416.348	6.378	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477442	XEJGGXPYRBOOQC-AXHZCLLHSA-N	407.344	7.564	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477638	OLKRQNQNWYLUQD-MDOVXXIYSA-N	415.364	6.348	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546136	OSLXBQQGKMCOIV-DFIYOIEZSA-N	410.517	5.452	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549155	VGQJBVWXILRRLL-ZYLNGJIFSA-N	408.457	6.433	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21	20708242	KBZVLYRMQROZBR-DUOVIKOCSA-N	424.544	5.575	10	10	HKCE	
CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	58821990	VPUOKDBIEBMMPU-LZYBPNLTSA-N	410.347	5.403	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2ccccc2C(F)(F)F)C1=O	59397150	RQQQSGALTAQLGL-QJMZJAKPSA-N	400.491	5.176	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	59860303	CHDCJBNYXHGPLT-XMHGGMMESA-N	400.434	5.134	10	10	HKCE	
C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F)c1ccccc1	109625035	FEPAYJCKDOUCMY-HNNXBMFYSA-N	419.472	5.082	10	10	HKCE	
CCN[C@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc21	380886155	OYSFHRVZPVMALS-HSZRJFAPSA-N	405.929	5.150	10	10	HKCE	
CC[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)c1cc(Br)ccc1O	717996846	HQPYGADTUNKVFP-LEWJYISDSA-N	417.391	5.106	10	10	HKCE	
FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	1081254082	FVNRKKPVVBAPDH-FMTVUPSXSA-N	400.227	6.719	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S	1860086514	NBNJUNIXXUADQX-VCHYOVAHSA-N	403.956	5.878	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)ccc1O	1865649835	HATZGVZIHDUMJL-NTEUORMPSA-N	405.281	5.294	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)cccc1OC	1865670300	SJPAEXBQOHCAMH-LTGZKZEYSA-N	400.478	5.443	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccco2)c(Br)c1	1915124462	QOVZZJREMMLNFU-QGZVFWFLSA-N	413.359	5.919	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1Br	2095948570	CJBWQOLGKMJIAY-ROUUACIJSA-N	417.435	6.561	10	10	HKCE	
O=C1C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC(=S)N1Cc1ccco1	2296441539	CNNUKOWZNIIGQX-UHFFFAOYSA-N	424.528	5.551	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2321594012	JKBIPGBTOOELLV-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2	2321611107	QGHQNDXWHVIZHJ-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)ccc1OC	2323802736	HAGHFPYGJPXQTF-UHFFFAOYSA-N	407.601	5.510	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549189	XAEGNUSYYHQMKQ-QSEAXJEQSA-N	405.497	6.606	10	10	HKCE	
CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/SC(=S)N(CC)C1=O	33782059	HBJHZLQRDYRFQY-LRRBOCHQSA-N	406.598	5.013	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226887575	NVVPVGPMALLZSC-SWYRRKHMSA-N	412.533	5.815	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526264378	LCPLZYXAIAEJAJ-QFIPXVFZSA-N	418.518	5.074	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865656255	DGVOBXUXCDMCDS-GHXNOFRVSA-N	419.617	5.995	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865658845	UHLJVJORMVXQDO-QPEQYQDCSA-N	415.198	5.043	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865665003	WMCVSPOEDLSYSF-SDQBBNPISA-N	419.617	5.995	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)cc1Br	2113623499	NSTSFAXRSYIDDG-IRXDYDNUSA-N	419.407	5.286	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2231452618	NFJVLNMFXQHXKP-MOPGFXCFSA-N	417.435	6.388	10	10	HKCE	
Fc1cccc(Cl)c1COc1ccc(Br)cc1/N=N/c1ccccc1	2295356104	KFTJAAXUULPDDB-WCWDXBQESA-N	419.681	7.236	10	10	HKCE	
COc1ccc(Nc2ccc(NC(C)=C3C(=O)N(c4ccccc4)N=C3C)cc2)cc1	2313682183	WZPWDQVQHLZAQO-UHFFFAOYSA-N	412.493	5.547	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1	2321733986	VAAMNKVOULMUHO-UHFFFAOYSA-N	422.394	5.577	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332099864	LOVJTPFYGHPIPY-UHFFFAOYSA-N	422.915	6.323	10	10	HKCE	
Cc1ccc(CN(C)c2cccc(OCc3ccccc3)c2)c(O)c1Br	2352949235	ATTXBWDYDKWKQC-UHFFFAOYSA-N	412.327	5.679	10	10	HKCE	
Cc1ccc(CNCc2cc(Cl)cc(Br)c2)c(O)c1Br	2380795070	HTUTWDBJERQSOO-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641708	QCQBYXCEPLZWMM-CWNDDBTHSA-N	409.526	5.716	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)ccc21	13642438	WFNYOCOVEJVKEX-NJVGLYJLSA-N	423.516	6.858	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465726	WHQKUPZUXJQWNG-HWBMXIPRSA-N	414.936	6.443	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480061	HDIIWKDTQPEOSH-PPJWLVRDSA-N	408.545	5.794	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2)c1ccccc1	14550637	XSDKGJMCKGYONJ-DXBVXKBHSA-N	424.544	6.188	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)N1CCCCCC1	20695563	RTHGAVSKAPUXQI-LGVFNWMJSA-N	406.957	6.183	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703201	LYTZXRPXJWKEMF-XLGIIRLISA-N	401.937	7.054	10	10	HKCE	
O=C1/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C1CCCC1	38732007	HDZXRXTZBRZPNT-HKWRFOASSA-N	423.607	5.369	10	10	HKCE	
CC[C@H](NCc1cc(Br)ccc1F)c1cc(Br)ccc1O	41069204	YMGYPFWRWMBTGF-HNNXBMFYSA-N	417.116	5.297	10	10	HKCE	
COc1cccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3cccc(OC)c3O)N2)c1	53363857	VMTZICDTVHKJJU-QPPBQGQZSA-N	422.912	5.285	10	10	HKCE	
O=C(/C=C\c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1	102651445	GXQVKTRLDIKLCQ-GOACCAMTSA-N	418.496	5.937	10	10	HKCE	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccccc1	1084359662	WBYLQUJPROQJAX-QNGOZBTKSA-N	403.528	5.671	10	10	HKCE	
COc1ccccc1CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858589284	UWUWMKYOOWGLJR-LZYBPNLTSA-N	410.347	5.403	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(O)cc1	1860075269	HCMDRELLSAXNQG-KGENOOAVSA-N	419.527	5.377	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)c(OC)c1	1865677400	HHWNCONHNMDAKB-OQLLNIDSSA-N	419.308	5.202	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1Br	1915478203	VYTPDMVAVJBCRU-FQEVSTJZSA-N	417.391	5.133	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2095950226	SVSPAAZVTMJWDA-ROUUACIJSA-N	417.435	6.561	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1	2296680769	VSUVQWWKEOZMIE-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321601580	HAHWGSQIBMXJFJ-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1c(Cl)cccc1Cl	2332104308	UOBUBYZDHQPNNP-UHFFFAOYSA-N	409.316	6.733	10	10	HKCE	
COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C	9572285	JFBNUMIHUDMTIK-UHFFFAOYSA-N	422.337	5.133	10	10	HKCE	
COc1ccc(OC)c(/N=N/c2cc(Br)cc(Br)c2O)c1	13980715	VMZPYTHKZIJBKK-ISLYRVAYSA-N	416.069	5.350	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459853	BOZXTOHFXVPARW-IUKKYPGJSA-N	418.537	5.244	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c1	14475856	HGLCRCDCTRJZDU-GBNMTWHSSA-N	411.672	6.087	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477316	DVLNOWKWCUCNQP-CFZSEITHSA-N	415.364	6.348	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14480395	JMUBKEXAWIKJQM-IBGGVINMSA-N	408.545	6.393	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549369	YMOGFWXGYLJFEG-MQRABVPWSA-N	419.568	7.854	10	10	HKCE	
O=C1S/C(=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)C(=S)N1c1ccccc1	35516510	UKWZORXHOUBEGM-YBEGLDIGSA-N	408.464	5.027	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1	40867581	ZVTBAWURIHCGLO-ZHZULCJRSA-N	419.527	5.422	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=S)Nc4cccc(N(C)C)c4)cc3)sc2c1	243495484	NSIWUNVWJWLTGQ-UHFFFAOYSA-N	418.591	6.147	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1	526316570	CLSSQMKHOBTHSF-NRFANRHFSA-N	421.518	5.514	10	10	HKCE	
COc1c(Br)cc(Cl)cc1NCc1ccc(Br)cc1O	691500060	AHZGHMHUZIRPNW-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C1/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1	1084366844	NAVRUXPDWCLSKU-HGQWFLLGSA-N	402.884	5.210	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	1858587317	VJZTUDPXNIHZAQ-LTGZKZEYSA-N	411.592	6.047	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2)cc1	1865650096	VIZCNCNTMXYGLV-PXLXIMEGSA-N	402.881	5.179	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079051597	HWPJTBIZHBQDMV-HNNXBMFYSA-N	400.853	5.300	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@H](CC)c2cc(C)c(C)cc2O)c1Br	2079978912	IVPSXPLXYYABTR-OAHLLOKOSA-N	421.335	5.022	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccncc2)cc1	2332129647	YLTDFVKQTKRDLQ-UHFFFAOYSA-N	405.457	5.078	10	10	HKCE	
CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	2332131456	VEZSYUHHAWGGQI-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1sccc1C)[C@@H]1CC=C[C@H]21)c1ccccc1	14456163	OGPNGOSWNYBSPE-ZYKOEDHHSA-N	414.574	6.550	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470480	IQIPZKLNRWZTDU-DPZBCOQUSA-N	424.544	5.842	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccs2)[C@@H]2CC=C[C@H]32)cc1	14548748	FLDFZWRMTWEJEX-DRMXPCRNSA-N	416.546	6.226	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1	101486275	JTRJRWSNUMOZLD-BYYHNAKLSA-N	411.425	6.287	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(Nc2nc3ccccc3s2)C1=O	210511152	VSLIUCVRDUAFAI-RQGFIEOQSA-N	409.561	5.471	10	10	HKCE	
CC[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)c1cc(Br)ccc1O	379656508	PIKWCXTZCKTHLU-TZIWHRDSSA-N	417.391	5.250	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCOC)Cc2ccccc2)cc1Br	384363098	PIOLXEACNMCRCP-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
CC[C@@H](C)N(C(=O)CCC1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910503	JSQBOYZGBYYDCZ-GOSISDBHSA-N	417.549	5.954	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc1	1865670025	DWFOAXQJLGCFKW-JJIBRWJFSA-N	420.553	5.550	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F	1865674743	WIBIZNSIWZBOOB-VBKFSLOCSA-N	422.834	5.473	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(C)n(-c2cccc(F)c2)c1C	2053614295	KPKAXCJCWRVQBJ-UHFFFAOYSA-N	407.876	5.693	10	10	HKCE	
CN(Cc1cscc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2214604489	ZSUJDXIMYYMNTN-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2231466352	XQXAKYYMFKSCIQ-SFHVURJKSA-N	419.407	5.380	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OCC)c1	2293497259	BRCJVWKXCBHUPB-OAHLLOKOSA-N	413.564	5.446	10	10	HKCE	
CC(C)Cn1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21	2293783543	NSQVALTZFCAFGG-UHFFFAOYSA-N	420.603	5.741	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-]	2297533926	XHXHAWHRTXBHLK-UHFFFAOYSA-N	406.488	5.462	10	10	HKCE	
O=C1C(=CN2CCCCC2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2313608996	CNANKTVFXFGZMN-UHFFFAOYSA-N	406.882	5.051	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1cc(F)ccc1F	2321757958	HYNAZIJMZRFCIV-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3cccc(Br)c3)C2=O)cc1	2332098181	XQABCQNNWUXRFG-UHFFFAOYSA-N	423.232	5.102	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1Cl	2332100046	GAKIZLGEUWZQPE-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)cc1OC	2332124259	JPYUVQRTPIOQMV-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(Br)cc1	2332147792	YKOCMXQAOWATLL-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CC[C@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	11636713	IJGFSPJQUTTWPN-CQSZACIVSA-N	419.399	5.131	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635609	BQHQICPWQPKSAH-SHWFOLOFSA-N	424.544	6.013	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)cc1	13635783	ZVJDJAWVFODXFI-ZEVJAHDQSA-N	424.544	6.391	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459423	ATUWBUVGFPJWHW-RLSLOFABSA-N	418.537	5.244	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471829	PEQKRNKVNCPNBB-JTAQYXEDSA-N	417.509	5.484	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546262	SCJLHXZQGGXZFM-BERHBOFZSA-N	413.517	5.980	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546989	ZGZJVHJPEBHQBX-CGSMKXTHSA-N	417.336	5.196	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548672	SHCMSJHJLUJLOR-YCRNBWNJSA-N	422.575	5.053	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14552146	ARDMILDOTRNXGM-XFAFFCHDSA-N	413.586	6.857	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588714	UUTXHYAWKPCTNY-XGCBPCLTSA-N	422.959	5.274	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(O)c1	1860075374	QZVSZUDOMXAEEN-FYJGNVAPSA-N	419.527	5.377	10	10	HKCE	
CC(C)c1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c2cc(F)ccc2n1	1866277915	GMAOFLPSNHCYLA-UHFFFAOYSA-N	413.496	5.923	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ccccc4Cl)CC3)c2C)cc1	1873834494	KWGHZWDBLWEDAH-UHFFFAOYSA-N	407.945	5.018	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(C(F)(F)F)cc1	2313608938	AXIOKZXEKHHZJO-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1	2321613583	RVHZPEMHDIDYDT-UHFFFAOYSA-N	422.394	5.577	10	10	HKCE	
Nc1ccc(N(C(=O)C=Cc2cc3c(cn2)[nH]c2ccccc23)c2ccccc2)cc1	2326269386	LPGFBKOVKAMHEG-UHFFFAOYSA-N	404.473	5.676	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	2332094774	GGHBKZYZQOYZAL-UHFFFAOYSA-N	406.844	5.015	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332099822	HWIBJYNDKYRKNO-UHFFFAOYSA-N	414.936	6.472	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104768	PKRGCIKPMMRHPF-UHFFFAOYSA-N	414.119	6.496	10	10	HKCE	
CN1N=C(c2ccccc2)C(=Cc2c(OCc3ccccc3)ccc3ccccc23)C1=O	2332132604	REYMTXNAFYSNGY-UHFFFAOYSA-N	418.496	5.679	10	10	HKCE	
CCc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1	4729533	SGSSSPWKJGSXRN-CTNGQTDRSA-N	401.348	5.223	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	6172081	BSTSKKAJTLBLHS-UKTHLTGXSA-N	406.240	5.010	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546726	UPNJKNLWFMMHKR-LRDNONRASA-N	423.365	5.070	10	10	HKCE	
COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1O	20070744	MNFBIVTZUKIBJQ-WZONZLPQSA-N	422.868	5.002	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c(C)c1	20691483	WMZORVUJNJSVLY-UNIVCBNLSA-N	400.566	6.064	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1O	20694307	BOZXTOHFXVPARW-PMAPCBKXSA-N	418.537	5.244	10	10	HKCE	
Oc1c([C@H](Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)ccc2cccnc12	54619488	QGJZESQWLWKGFF-HXUWFJFHSA-N	412.386	6.300	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1cc(C)ccc1C	101112998	MFVMMKBFSQDHKO-NTEUORMPSA-N	408.716	5.982	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\Nc2ccccc2Br)SC1=S	102985154	IMTMTPVPHLHOAE-JASJWYONSA-N	419.369	5.324	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)c(OC)c1)c1cc(Br)ccc1O	168898650	NHAHWILDRDDRJQ-CQSZACIVSA-N	415.125	5.489	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	226883043	WHIYVVMAIJFQJO-IECBHUPTSA-N	417.509	5.438	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226900294	JRJTUXUSVXTPNF-GGUMNFRJSA-N	416.392	7.779	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526148858	IMAIFQKBRTWHRT-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860086000	CKFGOHLILHORPE-RQZCQDPDSA-N	424.374	6.186	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086102	JZNAGSVIJOXATD-KGENOOAVSA-N	419.527	5.377	10	10	HKCE	
O=C1/C(=C\c2cccs2)C(c2ccccc2)=NN1c1ccc(Br)cc1	1865671489	FDMNQWOEWCTIJW-AQTBWJFISA-N	409.308	5.345	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1cccc2ccccc12	1865677923	KNLHNAZNIOUFDK-XLNRJJMWSA-N	419.440	5.583	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC	1865679678	ZRVWBVHCMUXAFG-FOWTUZBSSA-N	403.309	5.584	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc(C)c1-c1ccc(C)c(C)c1	1865991506	LCAAUNCDBLLWKB-UHFFFAOYSA-N	407.535	5.617	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	1927022158	RYXMCDPYGXKVQU-LBPRGKRZSA-N	411.329	5.897	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)cc1Br	2095877576	NHDBMYZQVTTZCG-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	2296710718	UAENLGHMGOWYHK-UHFFFAOYSA-N	411.577	5.210	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc1OC	2314490402	YFADZGAIGMXWSJ-UHFFFAOYSA-N	405.585	5.408	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC	2321591177	BHAIXDCCNWDSBR-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
Cc1ccc(CN(C)c2sc(C)c(Br)c2C)c(O)c1Br	2381140609	NCZWYYVAKDWPIR-UHFFFAOYSA-N	419.182	5.540	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457503	HLAUFWPVRUAAKC-RLSLOFABSA-N	418.537	5.244	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21)C1CCCCC1	14460449	HWSJEDYPRFYJBQ-HFMPRLQTSA-N	420.984	6.571	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14460863	KUKFQILELUVBII-XEKQOVJPSA-N	401.260	5.198	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467795	YCRJDTABVMDNPH-AVYPCKFXSA-N	404.337	6.704	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14544783	HHSIAMOENSXZMH-ROMRWMGNSA-N	421.566	5.025	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753401	KCTFBQCMQXJCDK-LOYIFYEOSA-N	407.513	6.837	10	10	HKCE	
CN(C)c1ccc(/C=C\C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1	33760664	GWPLRBJONSCRSH-MNDPQUGUSA-N	411.593	5.500	10	10	HKCE	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2coc3ccc(F)cc23)cc1	39882912	LXYIKGBHCAKZHF-UHFFFAOYSA-N	406.457	5.002	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1	218426053	QHUJSHVTJSFPPJ-YVLHZVERSA-N	419.955	5.067	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226745456	AFYMRZQLYGGOLE-WHSLLNHNSA-N	411.889	5.215	10	10	HKCE	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cc(Br)ccc1O	398049674	XAYHJQAEHGLHJK-CZAAIQMYSA-N	417.391	5.106	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCC	1858590045	VDYKHFNOBQEYSU-GNRRYOLQSA-N	405.585	5.264	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(Cc2ccc(C)cc2)N=C1C(F)(F)F	1865667281	OMGNHWNDYDAVDT-MOSHPQCFSA-N	424.422	5.501	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)cc2)cc1	1866010748	VZYLDBFPPARUTE-UHFFFAOYSA-N	405.712	6.072	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(-c2cccc3ccccc23)on1	1891897312	SNBJLWYSFGXLND-UGKGYDQZSA-N	423.516	5.414	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)c(Br)c1	2034739852	QUEHEXMBXMUIQA-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	2293490533	YSERVZBDVUTNHQ-UHFFFAOYSA-N	414.461	5.477	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	2318683698	SFHUEFBITLCTFM-UHFFFAOYSA-N	422.497	5.173	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC	2321698318	APFQXUVIQMPNIC-UHFFFAOYSA-N	421.543	5.653	10	10	HKCE	
CCCCc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	2330164763	PLWQFIAGHFCEFT-UHFFFAOYSA-N	412.581	6.435	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099360	NEAZZZIZLVQHIR-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)ccc1O	2332107665	SADUXGFGIFCYDN-UHFFFAOYSA-N	405.679	5.004	10	10	HKCE	
Cc1ccc(CNCc2c(C)sc(C)c2Br)c(O)c1Br	2380811029	YNFXFMLMWAZSRV-UHFFFAOYSA-N	419.182	5.194	10	10	HKCE	
CCc1cccc2c(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)c[nH]c12	2830438	ZVGXVGFVWWWHKN-LICLKQGHSA-N	409.898	5.055	10	10	HKCE	
COc1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)cc1	2909461	PWTPTYHENNUSOW-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462902	HANFXXQTCRAHEL-JCYRPKCISA-N	414.593	6.699	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1	14475478	ZASLGYURTHHENS-VBOOUTDYSA-N	403.525	7.245	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476843	FDPAMBOCNZZHEX-BCQCSXDESA-N	424.544	5.842	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14549012	HYLAUMAHNWEVJB-WZOHSFFVSA-N	400.547	6.146	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549333	JBBCXSYCLCKWFE-IALVYGIMSA-N	405.541	7.608	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711865	QMFONGLCDORXKD-WIEQDCTASA-N	404.337	6.235	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21	20750371	CHJYDZYFTNCEBY-PGKMIFDNSA-N	404.337	6.235	10	10	HKCE	
C/C(Nc1cccc2ccccc12)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	205957645	SDQOTJITRLXKLH-NCELDCMTSA-N	403.485	5.977	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	226696137	XBVQSGUNIZXRPB-XLGIIRLISA-N	412.489	6.309	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2)N1CCCCCC1	226899028	AGZGSYMPWZWAHM-FGSXEWAUSA-N	414.596	5.139	10	10	HKCE	
C[C@@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2	242645442	CQIRXRHSOMGFPQ-GOSISDBHSA-N	401.579	5.921	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1[nH]cnc1C	299784566	HFVIFQYQTKVSSE-JOCHJYFZSA-N	409.555	5.287	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	1860084175	OGQRKTFNOHTKEX-RCCKNPSSSA-N	410.608	6.062	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc(OC(F)(F)F)c1	1860087626	KMSAHQIUFWGJGN-LZYBPNLTSA-N	420.437	5.472	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1	1865665972	WDUFHNLRPVTZCE-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OC	1865669834	YSHWLAHHTFLDMX-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(Cc2c(F)cccc2Cl)N=C1CC	1865674374	BXBDVNASKCAZFD-DTQAZKPQSA-N	400.881	5.460	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2coc3ccccc23)sc(C)c1-c1ccccc1	1866199360	PRPGABIYJJUBGE-UHFFFAOYSA-N	405.475	5.438	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C	1875046139	NXZUYNQGXWKKOL-UHFFFAOYSA-N	422.834	6.027	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)c1OC	2042448450	AKMSNJMALYAXDD-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1	2296657744	NPLHPEFVNGXRCT-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323680571	JPJCMIXHRRLUQR-IMIFBBOLSA-N	412.407	6.019	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	2332105184	GJETYGSSUBOMPD-UHFFFAOYSA-N	402.881	5.184	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CCC)cc1OCC	2332106626	NVAXMYQKBMIRKW-UHFFFAOYSA-N	406.526	5.851	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(Cl)ccc1O	2332107503	JGGUFKNHDUUGME-UHFFFAOYSA-N	407.272	5.420	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141529	BNEHMFSQKRDATE-UHFFFAOYSA-N	424.544	6.156	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CC[C@@H](C)C2	6878001	HMCCDACSMNACEL-LJQANCHMSA-N	416.565	5.628	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14478485	PORDYLCTJDDNJN-FBLLAGFSSA-N	416.546	5.622	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1OC	14479664	CKGMQPKEYKULEC-WYEJZRMESA-N	406.526	5.515	10	10	HKCE	
Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	14886532	QFWNGGNAPXIZLM-KRWDZBQOSA-N	411.908	5.330	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1sccc1C)[C@@H]1CC=C[C@@H]21)c1ccccc1	20688553	OGPNGOSWNYBSPE-LEEZEASISA-N	414.574	6.550	10	10	HKCE	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)c1	33330973	YSQOHPFAMZIPFB-VUPUIVBDSA-N	422.575	5.171	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)cc1	39194311	VIGAXGNNRGFKFJ-JOCHJYFZSA-N	402.450	5.302	10	10	HKCE	
Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1	53364938	NGNRASULLBIOSE-WZONZLPQSA-N	424.859	5.136	10	10	HKCE	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c2C)cc1	137905434	RPRUOEQNNOUZFB-MIIKUUBMSA-N	404.539	5.385	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1	226846256	BXUUDLPFIBXYFT-MVERNJQCSA-N	410.517	5.139	10	10	HKCE	
CCCNCc1ccc(N2CCC(OCc3ccccc3)CC2)c(Br)c1	384086361	FAHKAKWQJBNZJQ-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
C/C(=C\c1ccc(N(C)C)cc1)c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1	685944280	IDEBFCIGOGDKBC-DYTRJAOYSA-N	408.590	7.990	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OCC	1858590043	VDYKHFNOBQEYSU-ATBVVXCQSA-N	405.585	5.264	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2F)cc1	1865654320	QDGARAJVHIKTAD-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1	1865664695	KTPKGRCSSPKTRL-QPEQYQDCSA-N	417.189	5.477	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2CCC)cccc1OC	1865670347	VPWFYHSWVPEENQ-XDJHFCHBSA-N	412.917	5.724	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccc(F)cc2)sc(C)c1-c1ccc(C)cc1	1866124794	ASDKNMYNWBJWJC-UHFFFAOYSA-N	411.498	5.529	10	10	HKCE	
C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	1915423186	IDLZCOWVNWIKON-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
CCCNCc1ccc(N(C)C2CC(OCc3ccccc3)C2)cc1Br	2100211580	AYEIKNCVRSIQSU-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
CC(C)(C)c1cc(CN2CCN(CC=Cc3ccccc3)CC2)c(O)c(C(C)(C)C)c1	2297318342	YPVCQKVQWMCQOP-UHFFFAOYSA-N	420.641	5.818	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1CNc1cccc(C(F)(F)F)c1	2297578455	HJQCEJXBRPMREJ-UHFFFAOYSA-N	412.433	5.115	10	10	HKCE	
COc1ccc2ccccc2c1C=C1SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	2313507309	DSEMANJPWRIFBC-UHFFFAOYSA-N	422.487	5.162	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c2c1	2323865212	VDARUHCSLFWEFE-UHFFFAOYSA-N	414.939	5.231	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129766	LIHRGGPMVJLPTB-UHFFFAOYSA-N	421.697	5.433	10	10	HKCE	
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	10012468	CYTOEBLJHMZOOF-CYYJNZCTSA-N	402.523	6.352	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1O	14460036	YCGYYEVSKMXPHT-KHCICDEESA-N	418.537	5.099	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14465920	HHSLGDWITQJAJF-IUKKYPGJSA-N	400.909	6.419	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20695387	CSWWPAXILKNZPF-RQTOMXEWSA-N	417.936	6.624	10	10	HKCE	
Cn1cccc1/C=C1/SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O	27229769	WYJCYPFYKGPSJT-MDWZMJQESA-N	402.850	5.103	10	10	HKCE	
O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1ccc(Oc2ccccc2)cc1	33793388	BBFCRUBDNMIUHP-ZHZULCJRSA-N	406.894	6.215	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	226803335	OCTGVUZWDHKZAW-TZBSWOFLSA-N	414.936	6.727	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526231351	DMWBYZPIPGGPCW-XMMPIXPASA-N	416.496	5.511	10	10	HKCE	
COc1ccc(Br)c(NCc2cc(Cl)cc(Br)c2O)c1	708111275	OTCJJEWOUGGMKC-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860075493	YMXJDZPIESTHKX-SYZQJQIISA-N	410.303	5.128	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	1860085100	MVHYMKGELDCCGM-LICLKQGHSA-N	424.374	6.188	10	10	HKCE	
CCCCCCOc1ccc(/N=N/N2CCN(c3cccc(Cl)c3)CC2)cc1	1860485530	NGBKCGQDOJBXCN-OCOZRVBESA-N	400.954	6.120	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OC	1865669387	KYHLDIWXYIHUSE-RELWKKBWSA-N	420.553	6.241	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)cc1	1865975735	LBHQYCCYZRYHOB-UHFFFAOYSA-N	422.282	5.557	10	10	HKCE	
CCC(CC)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1	2296968820	BWOZSJRDVGVEHS-UHFFFAOYSA-N	410.474	5.141	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1	2313682271	YXOPWTPTUYCTOW-UHFFFAOYSA-N	423.582	5.162	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672417	QHLHODQABPGWSQ-UHFFFAOYSA-N	422.962	6.489	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(N2CCCCC2)cc1	2321684722	ZZXLTYPANHWHDS-UHFFFAOYSA-N	414.983	5.736	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1	2321706161	TWCUENWZLMOTPX-UHFFFAOYSA-N	414.508	5.035	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1C1CCCCCCCCCCC1	2323739733	JQOLODGXVWTJQJ-UHFFFAOYSA-N	422.059	7.215	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641465	LFXULZYPBIRMJR-BSRJHKFKSA-N	409.526	5.574	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	14458405	KWNUQJYKRSAFEU-FBLLAGFSSA-N	422.594	5.242	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14475345	AEULOSWULRQMDK-CLCZQPDDSA-N	422.572	6.683	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477842	WJSPCZYXRQKINT-DRSNIGMVSA-N	415.364	6.350	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546976	CHJYDZYFTNCEBY-VKIFBMEASA-N	404.337	6.235	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764640	QYYUDNNKBVTBBK-VWNXMTODSA-N	424.903	5.806	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccccc3C)N2)c1O	53365015	CUUIRQQHRLBKLC-ZEQKJWHPSA-N	416.521	5.330	10	10	HKCE	
Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C3C(=O)OC(c4ccccc4)OC3=O)c2c1	58833846	UHKLFVCTSOMSCZ-UHFFFAOYSA-N	423.468	5.634	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	226871328	JKIZRSQMQGLJHI-YZIHRLCOSA-N	407.554	6.489	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1	526245669	GXBCPXQIIKDNRF-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1cc(Br)ccc1O	716219866	IWAOPFHNETZCML-ORYQWCPZSA-N	417.391	5.106	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S	1858590008	STIUIGQYMZEGKO-ZSCUNEJQSA-N	423.603	6.046	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858590605	AIAVXWVAEZPMOS-XYGUXCPDSA-N	401.519	6.266	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(OCC)c1	1865650087	UVWXOXHOUYUVRU-XNTDXEJSSA-N	419.308	5.684	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1Cl	1865664174	DOCFQITWVWBNFQ-WQLSENKSSA-N	417.189	5.477	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc3[nH]2)cc1	1872739010	QBZWOQMOAFDBLF-UHFFFAOYSA-N	408.864	5.341	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	2034709345	QCILDFKOKMUPAM-CQSZACIVSA-N	415.297	5.689	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CN)c2Br)C(C)(C)C)cc1C	2079987810	YQLITHQOVGECCK-LJQANCHMSA-N	420.395	5.330	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cc(Br)ccc2O)cc1	2089185651	CKRUTHXQLKDUML-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O	2296808155	YJPFURNVXOAARB-UHFFFAOYSA-N	422.575	5.090	10	10	HKCE	
CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S	6178447	ILSSRYZZZUXINM-LICLKQGHSA-N	407.919	5.279	10	10	HKCE	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1	13913930	PNDHOBDBALMAMP-KQWNVCNZSA-N	412.489	5.470	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457367	ONFSVVBVSMAHMV-BERHBOFZSA-N	413.517	5.849	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457788	UBNBMMKKGYXJFR-TYBLODHISA-N	424.610	5.469	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476543	FBWYBAIXUOXLDW-HOOSLVGPSA-N	422.355	7.399	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21)N1CCCCC1	14478159	PMWITDKHAIRZLT-HOIFWPIMSA-N	403.482	5.047	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2n1Cc1ccccc1F	20034011	WLJFHOOWKQKXDG-KQWNVCNZSA-N	409.464	5.635	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703236	LLJDMHPKUSZSEN-PQNGQFLHSA-N	414.461	5.706	10	10	HKCE	
CC(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	20902503	NWTCCTXOEIDYOZ-UHFFFAOYSA-N	400.566	6.189	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)SC1=S	35239812	SWKWYIHSXIUAFQ-PXLXIMEGSA-N	424.635	6.363	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2sccc2C)N3)c1	226804566	FIPGFEXYBLCIGW-QTEQDKRBSA-N	400.547	6.444	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250645829	KVKAAEORUYBRCM-QZTZHPFYSA-N	416.452	6.139	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1	526496424	NUXWXFWNYMFNFN-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865656586	MJIBXNWGFPNSNK-STZFKDTASA-N	407.300	5.824	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667512	ZWVRSQDLTZXVIN-KGENOOAVSA-N	404.897	5.694	10	10	HKCE	
CC(C)CN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2223531451	MTNMCHMZBGWGTK-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CN[C@H](C)CC)c(Br)c1	2223538835	FZNFSMZZGWGSAX-MSOLQXFVSA-N	403.408	6.142	10	10	HKCE	
CSCCCN1C(=O)C(=Cc2cccc(Oc3ccc(C)cc3)c2)SC1=S	2294821408	ZFBGROMCNIJPIT-UHFFFAOYSA-N	415.605	5.742	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1	2297457938	UPJHDYBFFSDAOY-UHFFFAOYSA-N	413.518	5.086	10	10	HKCE	
CCOC(=O)c1ccc(-c2ccc(C=C3C=C(c4ccc(OC)cc4)OC3=O)o2)cc1	2313510652	ZUXIUEUISHCZPB-UHFFFAOYSA-N	416.429	5.113	10	10	HKCE	
CCCCOc1ccc(C=C2SC(=S)N(c3ccccc3[N+](=O)[O-])C2=O)cc1	2313610566	ZWBVWNMLVRJCDQ-UHFFFAOYSA-N	414.508	5.180	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2318683870	KBLAEKDUISBREN-WMEZAQDKSA-N	401.597	5.500	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4ccc(O)cc4)SC3=S)cc2)CC1	2321683316	SISJAMIPRCIYFH-UHFFFAOYSA-N	410.564	5.034	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3F)SC2=S)c1	2321717800	DFGRDKPYMNJVEW-UHFFFAOYSA-N	415.511	5.188	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321753985	TWWVQZAWVIPCQB-UHFFFAOYSA-N	404.438	5.593	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S	2323852003	GFIYDFBAVYITHE-HNNXBMFYSA-N	423.600	5.273	10	10	HKCE	
FC(F)(F)c1cc(N=NN2CCN(CC=Cc3ccccc3)CC2)ccc1Cl	2330184838	GEMGQEKGLFFMRQ-UHFFFAOYSA-N	408.855	5.689	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134097	KAQQXYVALZLDGO-UHFFFAOYSA-N	410.473	5.492	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(N(CC)Cc2ccccc2)cc1	2332140039	VKIFIJAIUXEGAO-UHFFFAOYSA-N	409.533	5.909	10	10	HKCE	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	6172077	HFLWIOOGECWVSL-HNEYUBDGSA-N	416.304	5.427	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635530	GBBNSXIQMYGZBA-SGIRGMQISA-N	410.517	5.452	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547089	XNLKXTITCYEKMD-LRAJWGHMSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1	14634275	GXMGTJLZCLKXFU-OCEACIFDSA-N	421.522	5.516	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	20700053	ZBBQYALDNISNMV-VAWZGJIGSA-N	408.929	5.075	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753833	KLORZZFGWPRBOM-ZBAJWAEMSA-N	405.541	7.607	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(Nc3ccc(O)cc3)ccc(Nc3ccc(O)cc3)c21	140617368	PQLIQCMTQBHGIB-UHFFFAOYSA-N	422.440	5.360	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	226676354	QPYZHBRTJLMRHX-ZRCGQRJVSA-N	400.909	6.419	10	10	HKCE	
Cc1ccccc1/N=N\c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1	229012578	ACOYDVICKLLXEB-DFRLBGBJSA-N	416.352	7.249	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	385533893	ARQLETGLQPIYBG-ROUUACIJSA-N	415.419	6.315	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1cc(Br)c(OC(C)C)c(OC)c1	1865671431	ASNUROCOZBNPJU-XNTDXEJSSA-N	423.351	5.037	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	1865678397	KOLCVDXOAKACII-RGEXLXHISA-N	420.871	5.318	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C	1874130858	SQKMJVXIQQPXGR-SFHVURJKSA-N	402.538	5.473	10	10	HKCE	
CC(C)(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Cl)c1C(F)(F)F	2079701327	FLUZDQJFUCSHQV-UHFFFAOYSA-N	400.750	5.626	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100218536	DOSNPJNBIYIGRE-GQWLDOHISA-N	418.375	5.323	10	10	HKCE	
COc1ccc(C2=CC(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1	2313510521	NRGGLDRUYTZPCZ-UHFFFAOYSA-N	423.262	5.699	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)c1	2332119143	IKVQMVSIBRTQMU-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462315	DNAAFAQHAUNIRA-FBLLAGFSSA-N	417.597	5.888	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)N1CCCCCC1	14466720	VIHIKQWEQDIELQ-AXHZCLLHSA-N	406.957	6.183	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469586	NBJIZZSOUCMFEN-BKSPAHHJSA-N	422.355	7.399	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546987	HVCFLPMDYSBMFM-YGHRGLEHSA-N	415.364	6.350	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CC=C[C@@H]32)CC1	20705268	ACPFPOIDHFJMQG-TXTKFYIRSA-N	417.509	5.293	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1ccc2c(c1)OCO2)c1ccc(C)cc1	33571397	YRHOSSYRHUPJNW-OUYQTAHCSA-N	422.484	5.613	10	10	HKCE	
Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1	39869738	BKCAXLBNFITCGK-WOJGMQOQSA-N	410.882	5.696	10	10	HKCE	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1	58834269	TUZBAUAMNBNNHL-UHFFFAOYSA-N	420.848	5.101	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c(C)n1-c1ccccc1F	111014647	GFPVEKJAUKVASM-UHFFFAOYSA-N	411.502	5.259	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226830443	CXOCUSGAJRHZEH-WIEQDCTASA-N	415.364	6.348	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1	1858590807	JZYOEQMHTOFZJW-KEBDBYFISA-N	413.608	5.644	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076548	IPIILAVZOMVISI-MKMNVTDBSA-N	416.738	5.758	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656624	OPCLUDCVGQQNDS-KGENOOAVSA-N	420.871	5.318	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1	1865953858	YANGCTQQBCKXQC-HHHXNRCGSA-N	406.529	5.825	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2Br)cc1C	2080022307	ILZDUHDFYLRSFO-INIZCTEOSA-N	423.351	5.209	10	10	HKCE	
Cc1cccc(C(=O)N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1	2297451047	DUNQBXXZZRRJCW-UHFFFAOYSA-N	408.331	5.343	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2314720493	SBJXLZUTEPIZSC-UHFFFAOYSA-N	405.500	5.032	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1	2321706172	YPAYSYDTYWRINS-UHFFFAOYSA-N	408.548	5.609	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc1OCC	2332106834	LSXYSSVVZDTDDJ-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cccc(OC)c1OCC	2332117389	BEJUOBYXSFVWKB-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1	4729447	DLTVNGKCSIWRRJ-PZJWPPBQSA-N	417.347	5.059	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457896	YXXNFSZDPWHJLW-JXALWOEJSA-N	410.583	5.127	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462937	PCWHGFLIHQIKLL-IMSXRSKXSA-N	410.583	5.323	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14463760	NASZQGNHZHSODS-KPLVRAHFSA-N	423.297	6.271	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469380	AMSWPGVQCSXARA-DXBVXKBHSA-N	410.517	6.051	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477830	ZRTWYEQNNRUYIB-WHSLLNHNSA-N	401.337	6.414	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=N)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	15053920	URUWJMIUKFMDDL-QDLOHUEYSA-N	419.472	5.607	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)OC)cc4[C@@H]4C=CC[C@H]43)ccc21	20684494	SIKQHTCFIBXJGO-ZOIIRCJOSA-N	422.528	6.428	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@@H]21	20720248	WIYNHHFDVCJJIA-JNMBUGSCSA-N	419.528	5.924	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754430	HTGLVLWKSDMPQZ-TZBSWOFLSA-N	412.508	5.625	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccccc3F)N2)c1O	20763954	DQQMJARVLLGBLC-RDGATRHJSA-N	420.484	5.161	10	10	HKCE	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1C(F)(F)F	59396475	VOGNWCBMOWFXRB-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2cn(C3CCCC3)cc2s1	97161416	FHMCQUQNXDNIGT-UHFFFAOYSA-N	407.583	5.738	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)s1	226657635	WWXLKKHAKXHQCP-TVZXLZGTSA-N	401.575	6.895	10	10	HKCE	
COc1ccc([C@@H](C)Nc2c(Br)cccc2Br)c(O)c1	232119302	BEHVRDVROCHFQB-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
COc1c(-c2nnc(N)s2)nn(-c2cccc(Cl)c2)c1N=Nc1ccccc1	255978970	ILKKHANRRUZWIT-UHFFFAOYSA-N	411.878	5.050	10	10	HKCE	
CC[C@H](Nc1ccccc1OCc1ccccc1)c1cc(Br)ccc1O	311382017	BJOBYFPHHHJKRI-IBGZPJMESA-N	412.327	6.297	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1CCc1ccccc1	1858586759	SDDKQGAWHRNMOE-LFIBNONCSA-N	422.344	5.032	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	1860084971	CSGZSIFQRNOOPV-CXUHLZMHSA-N	409.363	5.465	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3ccccc3Cl)N=C2CCC)cccc1OC	1865668614	HYPXOOXVCVUOGJ-BMRADRMJSA-N	412.917	5.724	10	10	HKCE	
Nc1ccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1	1865896460	PVGYEQHACYVLDG-UHFFFAOYSA-N	421.541	5.014	10	10	HKCE	
O=C(C[C@H]1CCCC[C@@H]1c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	1866152280	SHXSTPNZKKNAPW-WOJBJXKFSA-N	423.512	5.765	10	10	HKCE	
CCNCc1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	1892545710	FBFAMFKVNDFARI-QFIPXVFZSA-N	417.391	5.134	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231477108	UCZMLOHITMUTRD-QGZVFWFLSA-N	413.403	5.896	10	10	HKCE	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)o1	2293328954	MJPGDUHXFGJELE-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
Cn1c2ccccc2c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc21	2295203911	WJJKXXPHOFNOOL-UHFFFAOYSA-N	400.528	5.737	10	10	HKCE	
C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccc(N(C)C)cc1	2313504779	UZGVMJTZLSHECX-NBGIEHNGSA-N	411.549	5.744	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc1	2332119337	COSPEQMMKGMOON-UHFFFAOYSA-N	416.443	5.436	10	10	HKCE	
CCOc1ccccc1CNc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCC2	3065965	QRWQPHVUJFECMZ-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
CCOc1ccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc1OCC	6518168	GLSICHSEFNINCB-UYRXBGFRSA-N	416.930	5.244	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13643542	VNIPOXQTKAPXPQ-FBLLAGFSSA-N	409.533	5.831	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14460841	WZEGWDMTXKMIGU-WTOJCKNJSA-N	401.260	5.198	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461232	SIWTVQCLZFTVHX-AYBUPXMNSA-N	414.343	6.159	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@@H]2CC=C[C@H]32)cc1	14548747	FLDFZWRMTWEJEX-FPGHNAPASA-N	416.546	6.226	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	96577922	MYXAZPATCUNVKE-OMCISZLKSA-N	424.330	5.124	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCC)cc1)N2	226858839	ZDRKFRPHARMXJA-JQYIIUTOSA-N	418.581	6.174	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	250798342	CIBZGPSMXNRKIV-LGVFNWMJSA-N	402.519	5.314	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1OCC	1860074694	DLDJBEDPSZCLHZ-CPNJWEJPSA-N	417.527	5.419	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665425	SHJFZIYLRSUMER-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
CCN[C@H]1CCc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21	2012692874	TVCVQGMUCDKOPD-NDEPHWFRSA-N	413.609	5.422	10	10	HKCE	
Cc1ccc(O)c([C@@H](C)n2nc(C3CCCCC3)cc2I)c1	2070176886	PIIZJHRBKVBDFP-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
CNCc1ccc(N(C)[C@H](C)c2cc(Br)cs2)cc1Br	2186576365	MDSUPBSJMQNJAN-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCC[C@@H]1CCN2Cc1ccccc1	2197377673	YPVIISSUTIWDRP-XMSQKQJNSA-N	405.369	5.233	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccccc1C(F)(F)F	2321672142	QHHZKWKICCSFPH-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1F	2332099861	LGXJMQUBQZRVRS-UHFFFAOYSA-N	406.460	5.809	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	2332104954	IMSDTUHIDSYQTB-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1	2332119526	OBMOUFQAGYMOHM-UHFFFAOYSA-N	403.309	5.978	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332128172	WADRCFAGVJDJHU-UHFFFAOYSA-N	411.892	5.651	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(OCC)c1	1160323	ORVLGKWFCNREAT-WOJGMQOQSA-N	403.500	5.029	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(C)C)cc2)N3)CC1	14463406	OHEHMBRGDULWOP-DXBVXKBHSA-N	414.593	6.509	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474676	ZRERZUZPDLUZLP-RLSLOFABSA-N	410.517	5.885	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c(Cl)c1	14477538	QLBZQAYJSMLLPR-GBNMTWHSSA-N	419.566	7.780	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21	14478093	NBRUXGAUFBCOTC-BSRJHKFKSA-N	417.509	5.484	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@H]2C=CC[C@H]21	14545860	TUAQFTKLOTUKFR-UZINWLIJSA-N	410.517	6.164	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547072	OTFVXVKMUPNUAH-SMASLZHESA-N	401.337	6.559	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549077	PFIDHRBIAABDOG-BEYSDYMESA-N	418.540	6.802	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1	15037208	ARZORCTUFFCVTI-CYVLTUHYSA-N	424.591	5.214	10	10	HKCE	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(F)cc1	33294122	HLCRLBLOMPBESR-REZTVBANSA-N	406.240	5.010	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1	33447890	ZQPJQDLZWFPXIJ-PXLXIMEGSA-N	417.555	6.189	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	33644309	HYIYISKBWYVWBD-JHBSOEOQSA-N	414.893	5.054	10	10	HKCE	
Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)cc2c1	40562413	DAZOURZVHFMPTK-UYRXBGFRSA-N	411.596	5.143	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)o2)c1C	59270987	QMLUBHLKTUJKJH-UHFFFAOYSA-N	403.507	5.428	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21)N1CCCCCC1	226695774	RIIZAYKZASOHEE-STSQHVNTSA-N	406.957	6.183	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226904982	ACEBKECZKZZDAW-YZIHRLCOSA-N	413.517	5.980	10	10	HKCE	
O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1	254305582	JNLPUKIWJQOGTE-UHFFFAOYSA-N	421.522	5.436	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)cc1OCC	1860086966	SBASGCNLFRTBHF-YBFXNURJSA-N	417.527	5.337	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675127	PTIPJEPQOSIVFU-GZTJUZNOSA-N	406.869	5.404	10	10	HKCE	
COc1ccc(COc2ccc3cc(C(=O)C(=O)c4ccnc(F)c4)ccc3c2)cc1	2059923372	MXIPVEZBGRYMKC-UHFFFAOYSA-N	415.420	5.027	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(CO)c2Br)C(C)(C)C)cc1C	2079969955	LCWPQEYJCSFAIL-SFHVURJKSA-N	409.368	5.219	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(Br)c1	2113613223	OVHVTGLREINDNF-KRWDZBQOSA-N	419.407	5.113	10	10	HKCE	
Cc1ccsc1C=C1SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	2293308764	SDMIVYMMOIJHSA-UHFFFAOYSA-N	409.557	6.255	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	2313609451	ISRQLCCSJHUDRS-GFCCVEGCSA-N	401.384	5.464	10	10	HKCE	
Cc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2314842218	HLMCPBJUISTXNN-UHFFFAOYSA-N	424.591	5.132	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccc(Cl)cc1Cl	2321664231	OKYCDSVXUFIUFH-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332104348	YBPGOENRKQKEKS-UHFFFAOYSA-N	400.909	6.298	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@H]4C=CC[C@H]43)ccc21	13642364	XWDAWWRXHGXLOY-VKIDHGPPSA-N	423.516	6.858	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	14460838	KPVDZFXLJBSEEU-PZROIBLQSA-N	411.126	6.288	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363963	PAXNZKFDOVYBQJ-WIOPSUGQSA-N	420.940	5.975	10	10	HKCE	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(N=Nc2ccccc2)cc1	1084240489	SLKPKBPBHGAQRT-UHFFFAOYSA-N	405.330	5.198	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)c1	1858591181	BBLQWWNQRQRDKY-XMHGGMMESA-N	401.528	5.058	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673452	FMXDBERSJOPEKT-CJLVFECKSA-N	409.961	5.768	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865676799	LCKFJPROVFUVOJ-STZFKDTASA-N	417.852	5.078	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cccc4c(-c5ccccc5)[nH]nc34)cc2)cc1	1866211025	HAPXZQRZGLWNOO-UHFFFAOYSA-N	418.500	5.655	10	10	HKCE	
Cc1c(Cl)cccc1NC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1	1872738315	FSROPZGIIZACCD-UHFFFAOYSA-N	404.901	5.510	10	10	HKCE	
CCCN[C@H](c1ccccc1O)c1cc(Br)sc1Br	2090034350	GWZBERAFPRQHMS-CYBMUJFWSA-N	405.155	5.068	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1Br	2095953224	DMXPQFBPGIWBQX-GOSISDBHSA-N	417.435	6.388	10	10	HKCE	
CCN[C@@H](c1ccc(N(C)C)cc1)c1cc(Br)c(Br)s1	2163078161	HAAOBDPFDYIONN-AWEZNQCLSA-N	418.198	5.038	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1	2293201972	AQOHOSGMSHELRG-UHFFFAOYSA-N	404.539	5.802	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1	2313681985	SCJPNQAZIRMRQH-UHFFFAOYSA-N	406.288	6.021	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1	2321635585	RYMRLONGEZDPMG-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)C2=Cc2ccccc2)cc1	2332094410	BXWWTGPYEIPMLO-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332130623	IMWXKOCLZDHFNK-UHFFFAOYSA-N	411.549	6.272	10	10	HKCE	
CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141389	SISCKLDJWIMOHJ-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=S)N1c1ccccc1	6344433	HGPAADDYQURJSJ-PDGQHHTCSA-N	408.460	5.897	10	10	HKCE	
COc1cc(OC)c(NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1Cl	9228847	WQNDHOCXJHIQLP-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476602	VPSAIRMFWCEZLE-WOVHNISZSA-N	424.544	5.794	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21	14543988	XRSFFHGWAMKICL-BSRJHKFKSA-N	406.323	6.437	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCCc4ccccc4)c3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545050	ASVDJZYSISLQTG-TWLCBMPQSA-N	420.556	7.006	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	14550820	UVOFXRSELYQECE-JTAQYXEDSA-N	417.509	5.484	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20718576	XZHFFKOZONRKCX-QZMQVMSPSA-N	402.450	5.592	10	10	HKCE	
CCN1C(=O)/C(=C\C=C2/Sc3ccc(-c4ccccc4)cc3N2CC)SC1=S	27520449	MHCSYPJEEZMWRW-JFUXKBHTSA-N	424.616	5.891	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2ccc(N(C)C)cc2)c(Br)c1	37248578	ZCYKEOPNROABAT-GFCCVEGCSA-N	412.169	5.759	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	1865658165	BWZFICTYPJKRFZ-ATVHPVEESA-N	420.862	5.982	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2ccccc2O)cc1	1865679098	UZXAAXZTUDERHH-HAVVHWLPSA-N	420.468	5.389	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(C)nc2)sc(C)c1-c1ccc(Cl)cc1	1865767746	GPFOLDCEJJSYLK-UHFFFAOYSA-N	414.914	5.509	10	10	HKCE	
Cc1cc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)ccc1C(C)C	1872957743	GCJFKGKSLZJQHO-UHFFFAOYSA-N	414.505	5.368	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1OC	2040482498	RHKWRWBLECIVBT-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](CC)c2ccc(C)cc2O)c1Br	2079034037	GCYOMOMKYRMJCK-CQSZACIVSA-N	423.351	5.133	10	10	HKCE	
CSc1ccc(C=C2SC(=O)N(CNc3cc(Cl)ccc3C)C2=O)cc1	2297533341	AGLVOIZGOPNYKI-UHFFFAOYSA-N	404.944	5.476	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1	2313681309	BDTVQJIUVWRUQQ-UHFFFAOYSA-N	400.866	5.197	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S	2321631347	YZICTFHYSVAGBH-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	2321647068	FHNCPIOQPWTENL-UHFFFAOYSA-N	405.544	6.075	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1ccccc1C(F)(F)F	2321672195	HUIHRTLEMGVSDO-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1c(F)cccc1Cl	2332100237	ZAJTYUGPLZSGHD-UHFFFAOYSA-N	409.263	5.854	10	10	HKCE	
Cc1cc(NCc2ccc(C)c(Br)c2O)c(F)cc1Br	2380808868	ZYWZEDDVDUGAMX-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764401	JHFPSOQHSTXSGR-JYFHCDHNSA-N	418.512	5.715	10	10	HKCE	
Cc1cccc(OC(=O)c2sc3nc(-c4cccs4)c4c(c3c2N)CCCC4)c1	40568275	DSBGJLISULPDEA-UHFFFAOYSA-N	420.559	6.013	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226866479	CYPYGJSDUIIDKA-YPENRWOSSA-N	411.889	5.813	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCN(Cc1ccccc1)Cc1ccccc1	390569538	RXDZEDHCTPWDII-WIOPSUGQSA-N	414.593	5.931	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526174553	SOLZPEUUSRRHDY-QFIPXVFZSA-N	422.525	5.791	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)cc1	526254756	WCLBPIODKLDNOB-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2cccc(NCc3c(O)cccc3Br)c2C1	706863882	WLLMXGHRBZRVBT-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)SC2=S)cc1	1084468008	AOASEHMTQRNWTN-UKTHLTGXSA-N	410.383	5.479	10	10	HKCE	
Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)Cc2ccc(Cl)cc2)cc1	1857992570	TUZLCIAWEUXIHW-UHFFFAOYSA-N	403.913	5.222	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccccc2Cl)SC1=S	1860083921	FPIGBAGEZFVLJO-LZYBPNLTSA-N	410.347	5.716	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1860084441	YJKQQBCUPNXLOX-OQLLNIDSSA-N	422.344	5.611	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	1860086071	IKHIDOCROGSOER-CXUHLZMHSA-N	420.353	5.172	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	1865668123	HGHREMHKHJCWPX-AQTBWJFISA-N	420.406	5.349	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)cc1	1874129706	MSGDRLIORRUBFE-UHFFFAOYSA-N	404.388	5.254	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OCc4ccccc4C)c3)c2C)cc1	1874176360	AAPVSQAKOONNCC-UHFFFAOYSA-N	424.544	6.542	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(N)c2Br)C(C)(C)C)cc1C	2080022313	IOPCKNBVXOZWRS-KRWDZBQOSA-N	406.368	5.237	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2318684172	SKNAJAWZHMCRLB-UHFFFAOYSA-N	412.418	5.865	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(Br)c1	2332097790	DMMNMMWPIOUKRJ-UHFFFAOYSA-N	420.104	5.018	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3cccc4ccccc34)C2=O)cc1	2332099792	FBGAMARCVJZDNT-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
COc1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	2332104770	POVNRBQBGAQNLN-UHFFFAOYSA-N	415.198	5.351	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cc1OCC	2332107164	VNHNORRWJRQNHQ-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
Cc1ccc(CN(C)c2cccc(Br)c2Cl)c(O)c1Br	2381141128	UYPDIZOUMILXOX-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
COc1cc([C@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]23)cc(Br)c1OC	13152795	OSSFWALRIZNRFB-SNUQEOBHSA-N	404.279	5.432	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468043	PBCYKHXHPLJMEJ-AUSJPIAWSA-N	417.336	5.665	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469384	AMSWPGVQCSXARA-OASJLCFRSA-N	410.517	6.051	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469458	DOHASHBYCPGDRI-HFASVGIHSA-N	424.588	6.938	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477681	DPABWWOQBXTGAH-AXHZCLLHSA-N	416.392	7.779	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546315	ZZHMYGGIJGYHET-BCQCSXDESA-N	411.545	6.533	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548301	SOUFZDXNVHOSST-ISJBWFOZSA-N	412.533	5.854	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549080	PFIDHRBIAABDOG-BOCWGRARSA-N	418.540	6.802	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712505	XLAOLEFTBNDPDF-SXGZJXTBSA-N	401.337	5.958	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=S)N1Cc1ccccc1	34891048	OFOPZFSGVSWFFK-UNOMPAQXSA-N	422.487	5.892	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3cccc(F)c3)N2)c1O	53364176	VGGOJQIGQUTQGQ-DHLKQENFSA-N	420.484	5.161	10	10	HKCE	
Cc1cc2c(n1-c1cc(Br)ccc1Br)CC(C)(C)CC2=O	110035905	HJFLYRGKTKNQKZ-UHFFFAOYSA-N	411.137	5.466	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860075482	XVCKULVGFNKNCL-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
CCCCCCOc1ccc(NC(=O)CCNCc2cc(Cl)ccc2O)cc1	1860661273	XQXJMUADLUGCOH-UHFFFAOYSA-N	404.938	5.123	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccccc2OC(C)C)cc1	1865676096	PONRUDOOXMHHRT-HAVVHWLPSA-N	412.489	5.317	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677052	UBDMCCLGMOLNGC-XYOKQWHBSA-N	422.243	5.233	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865677149	YSLQFRONEBEXJM-PXLXIMEGSA-N	416.908	6.034	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2095951285	YKSVUCBZTVAIQD-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
CC(C)NCc1ccc(N(C)C2CC(OCc3ccccc3)C2)c(Br)c1	2100219727	NHVZBEQFLNHPDM-UHFFFAOYSA-N	417.391	5.131	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1	2293140461	BSKQUBVHGABUIA-UHFFFAOYSA-N	416.999	5.900	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)SC2=S)cc1	2313533055	SATLAJCTBIHRNH-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1c(C)nn(-c2ccc(C)c(C)c2)c1C	2313547871	FDIRHWTYWMWADC-UHFFFAOYSA-N	413.525	5.133	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456083	OWVAHUMBGXRRQI-HWBMXIPRSA-N	401.575	6.895	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458523	OVAMUJKZQMGGBN-AHMOOEFLSA-N	408.545	6.313	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477833	VTXCVCIBVFFPOG-HKARXFIJSA-N	415.364	6.805	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14478468	KLHIASGVBZGOBM-FBLLAGFSSA-N	422.594	5.433	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14547000	DIQATWDVIANZFU-FELRVUOQSA-N	415.364	6.348	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547030	MBVCNRSYACWQSL-VFCRVFHLSA-N	401.337	6.414	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1Oc1cccnc1	40645957	NYCZUNJKGVSLGF-CYYJNZCTSA-N	413.397	5.731	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)c(C)c2)o1	59863199	RJVOPMKAFWSFEX-UYRXBGFRSA-N	421.294	5.824	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2ccc(F)cc2O)c(Br)c1	109767548	QRTRFPRTVBIYGI-VIFPVBQESA-N	403.089	5.538	10	10	HKCE	
CC[C@@H](NC[C@]1(C)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	311975196	LQKAWUHGKXWDRM-IRLDBZIGSA-N	417.391	5.108	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	1860086212	QOXOUBIWLKMIER-HMMYKYKNSA-N	410.564	5.091	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086654	YVCJYLTVHNJKQT-XSFVSMFZSA-N	406.507	5.975	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	1860087394	UJOGIWUSENZNQY-SFQUDFHCSA-N	421.509	6.409	10	10	HKCE	
CCC1=NN(C)C(=O)/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	1865666263	HCHKKCHHYJQTCZ-GXDHUFHOSA-N	419.308	5.202	10	10	HKCE	
CN1N=C(c2ccccc2)/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O	1865677163	ZFZTVGLILKNGBZ-HKWRFOASSA-N	402.881	5.179	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(Cl)cc1	1866245817	HWFYJUUZVQGUIN-CXAGYDPISA-N	419.974	6.318	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Cl)cc(C(F)(F)F)c1	1891166943	FSJCABQUSWSWBZ-LIRRHRJNSA-N	408.851	5.278	10	10	HKCE	
CCN(CC)c1ccc([C@@H](O)c2cc(Br)sc2Br)cc1	2163094755	NZAHXCOBOUZHLM-CQSZACIVSA-N	419.182	5.201	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CCCc3ccccc3)C2=O)cc1	2297559742	FCCLCZHYFFHBSB-UHFFFAOYSA-N	410.608	5.367	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(N2CCCCC2)cc1	2318756159	JCHMZVMPCLJMPZ-UHFFFAOYSA-N	416.518	5.361	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2ccc(C(C)(C)C)cc2)cc1	2332099836	IVNHAAUKNQCZLY-UHFFFAOYSA-N	424.544	5.823	10	10	HKCE	
O=C(CCCOc1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	5775205	WFTQGQUSLPFRMS-MHZLTWQESA-N	411.501	5.610	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13645292	LUTGDELHSMOMHS-FXSPECFOSA-N	409.533	5.831	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455945	UCOHZWOHHWWSEC-FCMRVMJTSA-N	414.574	6.374	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470072	MRWFOLXSNMHZDB-QQNWGBJXSA-N	411.545	6.881	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14546893	LYAIKTDYFCIDJQ-HHJKRLRDSA-N	422.355	7.399	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546952	QVWBSGCAYHJVDG-WJONJSRFSA-N	404.337	6.235	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548388	YJMSLJBCHNFLRA-NPPFBWRTSA-N	414.596	5.186	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550506	UVMCKCDLPVBDBU-XFAFFCHDSA-N	411.545	6.533	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Oc2ccccc2)c1	17190930	XCFBEIQYVFWPDA-UHFFFAOYSA-N	419.436	5.507	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1	40940068	DUUJYZANVGOCSF-LICLKQGHSA-N	416.955	5.010	10	10	HKCE	
COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363611	LQLDRLSXCPUIGT-QPPBQGQZSA-N	406.913	5.585	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1CCOc1ccccc1	96480433	SWFSCGZAKMDUFJ-LFIBNONCSA-N	410.347	5.274	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(C(C)C)cc1	103515921	JHFJGDAOSRURMT-HZHRSRAPSA-N	403.522	5.694	10	10	HKCE	
COc1cc(C)ccc1/C=C1/C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C	209922658	QIRZNORPPSLGLL-VGOFMYFVSA-N	409.700	5.770	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526304750	UJDTUCZTTKUQIH-NRFANRHFSA-N	407.853	5.117	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(NCc2c(O)cccc2Br)ccc1F	706834235	PNIUYWDNCJVSGI-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	1084288640	TYAOZKMLWXAVAR-LERPTODRSA-N	401.384	5.464	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(C)c1	1084421232	YIBNAKSHHABBGO-CXUHLZMHSA-N	404.900	5.271	10	10	HKCE	
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(C(C)C)cc2)cc1	1615946170	BXUKDBSAPVSHSA-UHFFFAOYSA-N	402.538	5.853	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)c1	1858591207	CYGPLHYFKDXSJV-LDADJPATSA-N	403.956	5.530	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859889256	ZYYKJJUQKVSDGL-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860085289	BGIBHJXOMWMFHU-XSFVSMFZSA-N	413.564	5.668	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)cc1Cl	1860086501	MAFPKWXRNKXFJE-VIZOYTHASA-N	419.984	5.380	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865679933	NUZRYZGYJYXXDK-ATVHPVEESA-N	411.339	5.097	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1F	1891362399	IHMIMTOCKKJMFV-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2034662706	SVCWSINXPPVHKR-QGZVFWFLSA-N	402.376	6.089	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332104294	SGYYIOXGZRNFGY-UHFFFAOYSA-N	400.092	6.106	10	10	HKCE	
CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc21	3648257	DSODRTOQQIPZBP-UYRXBGFRSA-N	416.883	5.999	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@@H]2CC=C[C@H]32)cc1	14478832	YVXFIZXLGVMSSB-PPJWLVRDSA-N	424.544	6.473	10	10	HKCE	
COc1cccc(C(=O)N[C@H](/C=C\c2ccccc2)c2c(O)ccc3ccccc23)c1	33420367	DLQOOFHLGXPYRZ-GSQIGPBRSA-N	409.485	5.739	10	10	HKCE	
CCCCOC(=O)CCCCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=S	33688348	FPGQUOUTWZBKKH-SDXDJHTJSA-N	421.584	5.436	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362898	STXRYWYIMMCUAU-ISKFKSNPSA-N	406.913	5.585	10	10	HKCE	
Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3O)N2)cc1	53363386	MPFWYIHVDCGBSF-GGAORHGYSA-N	421.338	5.686	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1	97411160	RPKHGJLWTNLPTJ-NDENLUEZSA-N	409.507	5.796	10	10	HKCE	
C[C@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2	242681119	CUVNCTHBPJNHCI-SELVFMLMSA-N	405.611	5.886	10	10	HKCE	
Cc1ccc2cc(C3=C/C(=C/c4c5ccccc5cc5ccccc45)C(=O)O3)ccc2c1	1084247226	YKPTUPSVCTXHFM-UQQQWYQISA-N	412.488	7.436	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	1858588582	NINZZJBSLSBCKF-FSZRQVILSA-N	414.640	5.559	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(N(C)C)cc3)C2=O)c1	1865654323	QFXXXNOYYKBSMX-UQQQWYQISA-N	409.533	5.200	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670148	LAWQEEMVIDFYQV-HZHRSRAPSA-N	416.908	6.115	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccccc3OC(C)C)C2=O)c1	1865676084	PIDRCRVNMHSCQB-UQQQWYQISA-N	424.544	5.921	10	10	HKCE	
O=C1C(=Cc2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2296883032	KFZMKDFYKJWSSH-UHFFFAOYSA-N	406.319	5.276	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)c1	2321717831	RLLCPELSTWZGJE-UHFFFAOYSA-N	415.511	5.188	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(F)ccc3F)C2=O)cc1OCC	2321758166	ZIBOPLFVMKOQNS-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
Cc1ccc(O)c(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	2332105137	BGDLSYUNJBBKEK-UHFFFAOYSA-N	423.299	5.842	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2ccccc2F)N=C1c1ccccc1	2332133756	WOAUAFCDPMTRNO-UHFFFAOYSA-N	414.480	5.443	10	10	HKCE	
CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	2332151216	YRVCCQBXIUXBCK-UHFFFAOYSA-N	401.849	5.157	10	10	HKCE	
O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	14004222	HVWATKKQGXNIPM-WCWDXBQESA-N	405.439	5.137	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457856	DPKJBDROVRORMS-ROKPMTFOSA-N	410.583	5.125	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458177	NDMQJAXUYDFISY-BTKWVRSESA-N	416.565	5.347	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	36559320	GOJSFPQXBUAQOR-HWBMXIPRSA-N	416.546	5.338	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1O	226728817	SGWWROFWMMKOMR-IEGUWTFLSA-N	412.489	5.480	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226877691	WTWFXZYGFOYKLN-NYULUDCUSA-N	408.545	6.393	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1[nH]cnc1C	299758971	MMZAVLWXCWFZCB-FQEVSTJZSA-N	401.482	5.249	10	10	HKCE	
Cc1cc(NCc2cccc(Br)c2O)ccc1NC(=O)OC(C)(C)C	704777392	SWRDEKLLZDFZRH-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
Cc1cc(NCc2cc(Br)cc(F)c2O)cc(C)c1Br	715739215	XHEBIHYWFZJDJE-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1N=Nc1ccc(Br)c(Cl)c1	1084096098	WGJUXPGRACOSGP-UHFFFAOYSA-N	424.907	6.639	10	10	HKCE	
O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084472090	HQZGQPWMWLCKDE-RWNDARIESA-N	420.925	6.282	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cc(F)ccc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917120	LDMFHJFOOAFFDI-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	1860085731	WPHZNUGLJIGDTL-KGENOOAVSA-N	424.591	5.343	10	10	HKCE	
CCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675177	SEDKIKOFHGUUCG-LGUFXXKBSA-N	423.560	5.905	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2c[nH]c3ccccc23)sc(C)c1-c1ccccc1	1865991422	GSYKLECJZSLRHJ-UHFFFAOYSA-N	404.491	5.173	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccccc4OC)ccc3[nH]2)cc1	1872737369	KTPJCHXPHFKGHN-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H](c1c(O)c(Cl)cc(Cl)c1Cl)C(C)(C)C(=O)O	1951860138	NMGWKTZXUUVAFX-GFCCVEGCSA-N	412.697	5.029	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2095889947	HBZDGFAKYPVVTM-UHFFFAOYSA-N	415.419	6.288	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc1Br	2100222638	KMIAUYJSAAYOCH-IWMITWMQSA-N	417.391	5.289	10	10	HKCE	
CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S	2293500043	JQBBAZPUHGLLOH-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c(O)c1	2321628941	KRUJUGXMIANOPT-UHFFFAOYSA-N	424.316	5.008	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1	2321647834	HYWQBTURXMBMSC-UHFFFAOYSA-N	404.538	5.360	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Cl)ccc1O	2332107636	PIWWEVYXOQKVOW-UHFFFAOYSA-N	409.700	5.544	10	10	HKCE	
CC(C)C[C@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ccccc1C(=O)O	6708373	ZXZRAHJOKAUOLZ-SFHVURJKSA-N	420.578	7.126	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546877	JRJTUXUSVXTPNF-NXMSCROESA-N	416.392	7.779	10	10	HKCE	
CC(/C=C1\SC(=S)N(Cc2ccccc2)C1=O)=C\c1cc(Cl)ccc1O	33371855	BXWTZAIDGCXROD-LDFNIPPCSA-N	401.940	5.393	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1	33922333	DRLQEIQFMLWSMR-HEHNFIMWSA-N	423.899	7.071	10	10	HKCE	
CCCCc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1	103400480	NJIKPFQTFCEASA-JJIBRWJFSA-N	416.471	6.142	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	206213642	SBJXLZUTEPIZSC-CPNJWEJPSA-N	405.500	5.032	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226840449	IKMQJQRVVJSKCK-MCFFVMPBSA-N	415.364	6.350	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1	526543149	UUOKMCXYMQAJJX-QFIPXVFZSA-N	424.422	5.227	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(-c2ccc(F)cc2)cc1	1892033085	PNEVOUJTLANCOE-UHFFFAOYSA-N	400.456	5.010	10	10	HKCE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1	1912117855	HHGUFJLJZYVCEK-HNNXBMFYSA-N	400.316	5.352	10	10	HKCE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NCc1cc(Cl)cc(Cl)c1O)C2	1922267112	AFWDDVMMQWFRNG-HOTGVXAUSA-N	415.361	5.109	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100206207	BGILAUMTCSTCKS-HVETUWLQSA-N	417.391	5.304	10	10	HKCE	
C[C@H](c1cscc1Br)N(C)c1cc(Br)c(CN)cc1F	2186577226	FEFDHYPEOQAPSL-MRVPVSSYSA-N	422.161	5.068	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(I)c1	2231943460	HAOJSFJTSFPMTP-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)c1	2321644023	VHSSIMFIXGUSBF-UHFFFAOYSA-N	414.508	5.098	10	10	HKCE	
COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1	6077318	SGKCGBYXHQKVBI-JCMHNJIXSA-N	402.881	5.492	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1	20275486	AFLVJSJCGOFTTI-ITJADKPQSA-N	407.642	6.540	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(OC)c1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20755967	HWKPQQGVLXZQAM-JQYIIUTOSA-N	424.544	6.188	10	10	HKCE	
CCN1/C(=C/c2ccc3cc(NC(C)=O)ccc3[n+]2CC)Sc2cc(C)ccc21	20807349	RDANMAUBVWJBOC-UHFFFAOYSA-O	404.559	5.345	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	54619811	XDHHVHASJQXQQD-QFIPXVFZSA-N	416.452	5.458	10	10	HKCE	
COc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1	83260598	UZFHFWJGMIFHJS-FOWTUZBSSA-N	403.390	5.153	10	10	HKCE	
CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	102968233	XMPNIJKAFONFBU-NLRVBDNBSA-N	418.496	6.225	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250504880	JYWMOCDGJLOWRZ-YZIHRLCOSA-N	408.457	6.433	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1OC	1860085456	MIBNSAAGYBEYAW-XDHOZWIPSA-N	413.564	5.407	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccccc3OC(C)C)C2=O)c1	1860086180	OUEDNTNHSMFIAT-DEDYPNTBSA-N	413.564	5.667	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccc(F)cc1F	1860087124	BFQSZOYSMFMFOW-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865658155	BNGXWXLJOOTPJG-BOPFTXTBSA-N	406.835	5.986	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2CC)cc1	1865669320	IJYVSXIUMPLGOR-XMHGGMMESA-N	413.315	5.434	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cn(C)c3ccccc23)cc1	1865670488	CBXHHKHJFSTCPO-XQNSMLJCSA-N	407.473	5.021	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1cccc(Cl)c1	1865678046	QMUZWSOZUFMDCP-UYRXBGFRSA-N	403.825	5.083	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1	1866230544	LAQMYSMVCHOQLR-UHFFFAOYSA-N	419.481	5.660	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O	2296882277	MTLCPBWFZQXXBU-UHFFFAOYSA-N	422.575	5.090	10	10	HKCE	
COc1ccc(Br)cc1C=C1SC(=S)N(c2ccccc2C)C1=O	2297356979	HFZHAFQCNXBDHL-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(F)c(F)c3)SC2=S)cc1	2321579677	IDGBBQMAOAQCNO-UHFFFAOYSA-N	404.507	5.217	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1	2321585723	QKCMLIYKGZJCET-UHFFFAOYSA-N	418.337	5.058	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)cc1OC	2332140391	BTEQNQDYKXWFQS-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1	9228643	NUNRJHVQJGZSPH-UHFFFAOYSA-N	401.869	5.217	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458178	NDMQJAXUYDFISY-YGWSKSRPSA-N	416.565	5.347	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476505	RNCXLUFPNPISRE-LLJLJFOGSA-N	422.355	7.399	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@@H]2CC=C[C@H]32)cc1C	14548763	KSQULPQNYAEGRT-FPGHNAPASA-N	400.547	6.444	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1c(C)cc(C)cc1C)[C@@H]1CC=C[C@@H]21	20691719	TYAJLGVCGXSBFG-HWHXTQLESA-N	404.554	5.205	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701636	UXMGBOVNICWEOZ-KPHUOKFYSA-N	417.336	5.664	10	10	HKCE	
COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c2C)cc1	33458490	KWPXITIHJMLUTL-UDWIEESQSA-N	424.547	5.097	10	10	HKCE	
C[C@@H](Nc1ccc(I)cc1Cl)c1ccc(N(C)C)cc1	37313728	GUXVXPHNWCBUQQ-LLVKDONJSA-N	400.691	5.184	10	10	HKCE	
Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)oc2c1C	38643300	QFGVGSDLULALRM-JOCHJYFZSA-N	420.553	5.245	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363622	NUJKTDOUNFWJSY-NZQKXSOJSA-N	410.876	5.416	10	10	HKCE	
CCCOc1cccc(-c2c3c(nc4sc(C(=O)OCC)c(N)c24)CCCC3)c1	96586992	OONJUBGKMKNXRC-UHFFFAOYSA-N	410.539	5.390	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2)c1ccccc1	226899242	FTUYWBVCPDSSIG-MVERNJQCSA-N	412.508	6.319	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1ccccc1O	381651681	APJWLAGWUQXFRK-QMMMGPOBSA-N	405.517	5.744	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1c1ccc(F)cc1	1860074655	ATTKEXGKOKNSQI-VGOFMYFVSA-N	412.280	5.133	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1	1860085260	ZRBFMORIPHJEAP-LICLKQGHSA-N	422.402	6.697	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cc1	1865668068	DTWDGTXGIYEVAA-RGEXLXHISA-N	418.415	5.223	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	1865668575	FXETVCNKJDCXKJ-BWAHOGKJSA-N	410.517	5.614	10	10	HKCE	
CCOc1cc(F)ccc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC	1866118535	PMYIBRUDKQIUDV-UHFFFAOYSA-N	413.470	5.300	10	10	HKCE	
c1ccc(CN(CCCNCc2ccc3c(c2)CCCO3)Cc2ccccc2)cc1	1935605293	DRFYWGDSUOQURB-UHFFFAOYSA-N	400.566	5.194	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2034819089	BRZNUNPHCLKOKF-QZTJIDSGSA-N	403.408	6.171	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2095950227	SVSPAAZVTMJWDA-ZWKOTPCHSA-N	417.435	6.561	10	10	HKCE	
CCCN[C@@H](c1ccc(N2CCCCC2)cc1)[C@H](C)NC(=O)OCc1ccccc1	2163148828	BOLZARWLAURTBA-GBXCKJPGSA-N	409.574	5.033	10	10	HKCE	
C[C@@H](c1cscc1Br)N(C)c1cc(Br)c(CN)cc1F	2186577228	FEFDHYPEOQAPSL-QMMMGPOBSA-N	422.161	5.068	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1	2297452741	DRLQEIQFMLWSMR-UHFFFAOYSA-N	423.899	7.071	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2314532926	OAMOAXUFWNUFCW-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1cccc2ccccc12	2318756703	RIZDUIMIUVZNOV-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
Clc1cccc(N2CCN(N=Nc3ccc(OCc4ccccc4)cc3)CC2)c1	2330221598	NXSLTQRAMRBPTI-UHFFFAOYSA-N	406.917	5.740	10	10	HKCE	
Cc1ccc(CNc2cccc(CNC(=O)OC(C)(C)C)c2)c(O)c1Br	2352684428	RDPFCLPHXFOBPT-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
Cc1ccc(NCc2cc(Br)cc(F)c2O)c(F)c1Br	2381164125	JKKBYHQAUCUZMZ-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2833925	GJRFAWOSJFCTDT-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc(Cl)c1	5338048	KKERNZFWTVPSTE-LCLWPZTBSA-N	402.925	5.745	10	10	HKCE	
O=C(NCc1ccc(F)cc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782020	AAWJQUHEJZEAQL-UHFFFAOYSA-N	424.519	6.092	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14460555	UWGXTWPSDYLSQW-XFAFFCHDSA-N	415.964	7.178	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14462613	KVUISGIIODFQSP-UEXGIBASSA-N	415.318	6.241	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14463307	OWKMCOWIFZTAGU-IWVFXYMLSA-N	423.600	7.648	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475272	GTDULIMGCXUZDM-FBLLAGFSSA-N	418.562	5.353	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14549974	DYZKMTHQMWCNJX-HWBMXIPRSA-N	412.508	6.319	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CC=C[C@H]32)CC1	14550899	SUZGRBKHFQCPCF-MIZPHKNDSA-N	417.509	5.293	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)c1	14553560	CTRTXMMWRPNZDJ-HWBMXIPRSA-N	414.936	6.727	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C(F)(F)F)cc1	103299464	WZGCWVAEFUPEHB-UHFFFAOYSA-N	418.849	5.283	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2)c1ccccc1	226662985	JUMCYXBVHXPORR-DPLHUUCSSA-N	414.574	6.550	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cc(Cl)cc(Br)c1	715758068	IBQBJBYOIDJCFK-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
COc1cc(/N=N/c2ccc(N(C)C)cc2OC(C)=O)c(C)cc1/N=N/c1ncc[nH]1	725239727	XGCPBSGCIPHULT-JQRDNDPDSA-N	421.461	5.549	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1OC	1860075458	WIWXTRWSJYVISZ-WOJGMQOQSA-N	419.955	5.462	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667155	IGDVSHSWICHCMP-CJLVFECKSA-N	400.478	5.443	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2CC)cc1	1865670370	WWIPCEIDPCFZMX-LTGZKZEYSA-N	410.945	6.101	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc(C)c1-c1ccc(C)cc1	1865742097	MYNNVAQAHMJEJC-UHFFFAOYSA-N	407.535	5.617	10	10	HKCE	
COC(=O)c1c(NC(=O)C2CCCC2)sc(C)c1-c1ccc(Br)cc1	1866099197	NDFUUVMZYSWCKB-UHFFFAOYSA-N	422.344	5.401	10	10	HKCE	
COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1	1867935709	ONDWBHIZKLMYBD-RUZDIDTESA-N	408.586	5.297	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2034746351	JLKWIFWOCLRTLY-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2Br)c(O)c1	2079027143	OUYHVIPUFFHADZ-QGZVFWFLSA-N	405.336	5.159	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C(C)(C)C	2079743089	YKYROMBVQSITPK-UHFFFAOYSA-N	419.285	5.839	10	10	HKCE	
CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNCc1cc(Cl)cc(Cl)c1O	2184345773	NKYFSOYWVDJOSC-HXUWFJFHSA-N	407.385	5.479	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(C)CCCOCc2ccccc2)cc1Br	2231462620	GKEKIDSUDLTMRX-SFHVURJKSA-N	419.407	5.380	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O	2296038173	CBQKRGNQVRROSO-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1C	2313502045	KRPDPAYENXKWCQ-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(N=Nc2ccc(Cl)c(C(F)(F)F)c2)CC1	2330184952	UHOSKQUMSKTJLM-UHFFFAOYSA-N	406.836	5.300	10	10	HKCE	
Cc1ccc(CNCc2cccc(Cl)c2Br)c(O)c1Br	2380813755	BBBBAFZWKRPKCR-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O	2446686	IXPCPCNUBMTCOP-CVRKYSSXSA-N	422.859	6.388	10	10	HKCE	
COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(Cl)ccc3OC)c2C)cc1	9228637	LRNWUMUJDRJRHJ-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462101	XZWGDOWADXNFHI-FXSPECFOSA-N	406.570	5.775	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21	14478092	NBRUXGAUFBCOTC-YZZKKUAISA-N	417.509	5.484	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(C(C)C)cc2)N3)c1	14553572	ISXJSMOMMKTGTM-VBOOUTDYSA-N	422.572	7.197	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21)N1CCCCC1	20713301	PMWITDKHAIRZLT-JLHGSKIFSA-N	403.482	5.047	10	10	HKCE	
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(-c3cccnc3)c(O)cc12	85392430	UNWMFCIRHPQQBS-UHFFFAOYSA-N	418.518	5.415	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865650092	VDBUTNDOLCAEIN-PDGQHHTCSA-N	409.272	5.534	10	10	HKCE	
CC1(c2c(C3CC3)nn(Cc3cccc(C(F)(F)F)c3O)c2Br)CC1	2079716171	VSFCOODNHCSPBQ-UHFFFAOYSA-N	415.253	5.347	10	10	HKCE	
N[C@@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236172631	XKHSJTVWAVZQPY-DEOSSOPVSA-N	409.574	5.164	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3ccccc3Br)SC2=S)c1	2297578528	MTYIAKTZIRSORR-UHFFFAOYSA-N	419.369	5.028	10	10	HKCE	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)SC1=Cc1c[nH]c2ccccc12	2314656355	MGXCXZMDQYESFC-UHFFFAOYSA-N	401.535	5.093	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CCC)cccc1OC	2332117410	DGISZTHUNVAPNL-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c1	6412362	OQRSDDDSEGGCSZ-XDHOZWIPSA-N	411.935	6.314	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458019	IQDVFUKWESKMSB-IALVYGIMSA-N	409.573	7.060	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463232	LXYMTCUVSMTCEO-IWVFXYMLSA-N	409.573	7.258	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546131	KJMWDFQDCCOZJA-ISJBWFOZSA-N	424.544	5.494	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547036	APMHICKUVCUITI-NXHTTZLHSA-N	415.364	6.805	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1	14552493	ZKJXJXVMFKVYRB-CLCZQPDDSA-N	424.544	6.473	10	10	HKCE	
Cc1cc(Br)c(NCc2ccc3c(c2)CCN3C)c(Br)c1	109767617	COBIJUVYTCODAV-UHFFFAOYSA-N	410.153	5.124	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	250195688	NJUKCGDGRJZKFF-DDOIHHOZSA-N	408.929	5.075	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	1565517572	OOOVGVTVOBELIC-SANMLTNESA-N	417.512	7.047	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1	1860074999	CPXCJABRAHKUHQ-MHWRWJLKSA-N	421.902	5.062	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1860076918	ZQEYCBIUEZLTEW-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
CCN(CC)c1ccc(CNCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1	1860716998	OCLBPDUVEIVVLK-UHFFFAOYSA-N	402.542	5.005	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)C)cc1	1865664340	MMJZYJQVEPQBGU-LDADJPATSA-N	401.337	6.703	10	10	HKCE	
Cc1ccccc1COc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1	1865676377	FFESMAXZQKZRMX-NDENLUEZSA-N	416.443	5.374	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(F)cc2OC)sc(C)c1-c1ccc(C)cc1	1865969766	QAKLOKIKOTZUPZ-UHFFFAOYSA-N	413.470	5.219	10	10	HKCE	
CCCN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977945029	LPHLYYMYXRJGFD-QHCPKHFHSA-N	411.590	5.231	10	10	HKCE	
CCCCCOC(=O)CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S	2295924281	PAINRSRGPIYXAT-UHFFFAOYSA-N	411.976	5.055	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1	2297242722	ANFSYKRDBOMSHE-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S	2314480568	IUQVEXCTYHMHFS-UHFFFAOYSA-N	403.834	5.450	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1c1ccccc1F	2318757025	UFSWFOWKJVATMH-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc(Cl)cc3)c2)c1	2331344431	MQAJWCHRAXUEBI-UHFFFAOYSA-N	419.912	5.310	10	10	HKCE	
Cn1cccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	2332128859	LAPYSPHWLBMSOG-UHFFFAOYSA-N	410.304	5.162	10	10	HKCE	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1Cl	1312460	ACSGMTPBPUXPTB-GZTJUZNOSA-N	424.815	5.554	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477336	KLPVJHCZDDVZTR-VFCRVFHLSA-N	417.336	5.196	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)N1CCCCCC1	14551278	ULXFEKTWXZMBAK-HFMPRLQTSA-N	408.567	5.078	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc([N+](=O)[O-])cc3C)c3cccnc3)c(O)c2n1	54621797	WTRAAGCNJGMJQB-NRFANRHFSA-N	400.438	5.062	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C)o1	58832390	NTGIUJNEYGSKMC-MOSHPQCFSA-N	421.294	5.824	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226852432	DPABWWOQBXTGAH-IMWIBFENSA-N	416.392	7.779	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860085654	HVYDMHYTFKILBU-MDWZMJQESA-N	410.303	5.097	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2c2ccccc2)cc1OCC	1865665415	RNKKHHIFORNPCB-FXBPSFAMSA-N	406.526	5.304	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666528	PIWWEVYXOQKVOW-NTEUORMPSA-N	409.700	5.544	10	10	HKCE	
COc1cc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)ccc1OC(C)C	1865672018	LGHNOBZMKHQWHH-KGENOOAVSA-N	400.478	5.442	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)C(c2ccccc2)=NN1c1ccc(Br)cc1	1865678750	BWZPFWCQYRDBTJ-ZHZULCJRSA-N	421.269	5.423	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1cccc(F)c1	1865679053	SAROWTUALWSGOB-STZFKDTASA-N	424.397	5.675	10	10	HKCE	
Oc1cccc(Br)c1Cn1nc(C2CCCCC2)cc1Br	2070050022	JLPXRYYRPTVSOA-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(Cc2ccccc2)CC12CCC2	2154938599	XIHDLSVPAAKHPP-HXUWFJFHSA-N	405.369	5.233	10	10	HKCE	
COc1ccc(Br)c(CNc2cc(Br)ccc2Cl)c1O	2236051924	ZJQSZIIRIAIDPC-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1	2293215245	MJXOHVARUYJWBD-UHFFFAOYSA-N	419.955	5.115	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC	2296823604	OURSTCPLOUBCMT-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F	2313538634	WHPRCMWOVAPSGB-UHFFFAOYSA-N	420.871	5.864	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	2321586587	VNCWNRYXTIUCGT-UHFFFAOYSA-N	420.346	5.355	10	10	HKCE	
Cc1cccc(N2CCN(N=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1	2330146382	WZUOUNSPIDZFGF-UHFFFAOYSA-N	416.369	5.854	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC	2332124562	POIVRCBSFDXPIT-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
O=C(COc1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1	6274941	FPFNTDCGTWDQHG-WCWDXBQESA-N	410.271	5.882	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21	14469069	LHKCHWUSMJBSJF-AXHZCLLHSA-N	407.510	5.626	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14480524	LVJOJBZADYEREM-SGIRGMQISA-N	410.517	6.164	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14547800	UDHISPNQVSUJBI-AWVRMFGXSA-N	404.513	7.116	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1	14550294	VNKZKGRPJUIEQV-HFMPRLQTSA-N	402.538	5.584	10	10	HKCE	
COc1cccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550501	IXMXBZPVLMBHOD-PPJWLVRDSA-N	413.517	5.980	10	10	HKCE	
Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C1=O	38184319	FMAZQGAUXTVVGQ-HKWRFOASSA-N	421.456	5.650	10	10	HKCE	
C[C@@H](N/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)c1ccccc1	104176358	HDLBYRNZZOZVLE-XUMLYMLNSA-N	424.529	5.282	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)ccc1O	226662931	IZUIAUYTMUFVJT-IMWIBFENSA-N	412.489	5.480	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226700127	XFTQZFOZWBOLQU-IMWIBFENSA-N	423.988	5.238	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2)N1CCCCCC1	250070037	AGZGSYMPWZWAHM-JBYIUTFZSA-N	414.596	5.139	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250661510	ZYFIOZFKFYTNLB-REHUZNOOSA-N	414.461	5.706	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c(OC)c1)N2	251398692	YMMJJUCSHZLBFB-UDQIJZATSA-N	406.526	5.059	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	251520444	KVFLPZJBNIIORJ-KDDRXCPHSA-N	424.544	6.013	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cc(Cl)c(Cl)cc1Cl	708099577	QMLCBOJAQKEPCN-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
Cc1cc(Br)ccc1OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	1084141869	IQTVKWWXMOBUJR-UHFFFAOYSA-N	424.298	6.190	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc(Cl)c4C)C3=O)c2c1	1860075174	NSUZASSDJDEHGC-QGMBQPNBSA-N	414.939	5.544	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(Cl)n2)sc(C)c1-c1ccc(C)cc1	1865994629	YDKUIWPEYGLNFI-UHFFFAOYSA-N	400.887	5.119	10	10	HKCE	
CCCCC1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1	1866011059	PIBMJCXBSVZCPC-LQOCYXTFSA-N	413.650	5.392	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCC4=CCCCC4)ccc3[nH]2)cc1	1872736185	QAMDNQDLGRHUCV-UHFFFAOYSA-N	416.569	5.696	10	10	HKCE	
Oc1cccc(Br)c1Cn1nc(C2CCC2)c(C(F)(F)F)c1Cl	2079832335	SHSOSJJSSNITPE-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
Cc1cccc(CNc2ccc(Cl)c(I)c2Cl)c1O	2093950103	ZBXDTINFRGUEEF-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c3ccccc3n2)SC(=S)N1CCc1ccccc1	2313830378	DOFNOWSQFHCJAM-UHFFFAOYSA-N	410.951	5.332	10	10	HKCE	
CCCN1N=C(CC)C(=Cc2ccc(OCCCc3ccccc3)c(OC)c2)C1=O	2332126855	LGXUHHCUVWTGRY-UHFFFAOYSA-N	406.526	5.108	10	10	HKCE	
Cc1ccc(CN[C@@H](C)c2ccc(Br)s2)c(O)c1Br	2352690406	GMEJHJYDADVFLD-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
Cc1ccc(CNCc2sc(C)c(C)c2Br)c(O)c1Br	2380799134	WKCWOOSEWXTIEK-UHFFFAOYSA-N	419.182	5.194	10	10	HKCE	
CCCCCC[C@@]1(C)N=C(c2ccc(OC)cc2)C[C@H](c2cccc(OC)c2O)N1	4729883	FOKFXNMEZZGZLA-RDGATRHJSA-N	410.558	5.620	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459107	NKAQBMVZHMVXCT-GLDPYIMESA-N	418.537	5.290	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468079	VXEPVSTWGXOTFG-IQUTYRLHSA-N	403.309	5.227	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476393	HIBPMWQPQLGAGG-OUDXUNEISA-N	412.489	6.309	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14479095	WTWFXZYGFOYKLN-JPYHZWLXSA-N	408.545	6.393	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14550645	DJNDYFWDSPWWDC-UMFSSWHCSA-N	410.517	5.798	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1	54619828	MLNIYFSFUIRBMM-HSZRJFAPSA-N	413.477	5.022	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226658948	PTQJIRXAIOCYDH-OTPAQWSUSA-N	404.554	5.205	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCC)cc1)N2	226859301	OIHLEHHHXFHCFX-IEGUWTFLSA-N	410.945	6.304	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	586482753	ZCKJJCQKJRUZLV-ZOCZFRKYSA-N	405.494	5.471	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OC	1865669051	DKSOQPCIZMFAKF-GDNBJRDFSA-N	424.806	5.096	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC	1865669609	RJBLOPUOAGZRET-PXLXIMEGSA-N	424.516	5.595	10	10	HKCE	
O=C1C(=Cc2ccccc2)SC(=S)N1C1c2ccccc2Oc2ccccc21	2296669174	YARPHPIBFXBZCH-UHFFFAOYSA-N	401.512	5.783	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl	2313682081	UUKSAJFIWHEWQP-UHFFFAOYSA-N	405.241	5.010	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321586515	KRAQMRWFTJNNIL-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	2321646958	UGBGGFJXMRHAGV-UHFFFAOYSA-N	415.883	5.135	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321743502	WGICBYJULORJMC-UHFFFAOYSA-N	422.453	5.070	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13636055	UINANLCAMGVKMV-FXSPECFOSA-N	413.517	5.980	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)CC1	14460628	GYIXTIZJQIPJHO-DPLHUUCSSA-N	406.957	6.039	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461432	BOQKFCAMASWICW-PNIUZAESSA-N	409.577	7.103	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@H]2C=CC[C@H]21	14546215	WMNSEUFSNRABMM-LZCXECNNSA-N	424.544	6.391	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	19893207	RTQZHQDYROZZRV-RKVPGOIHSA-N	407.682	5.771	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20759129	DKCVKOVTHIUXMF-LGVFNWMJSA-N	418.606	6.107	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	40859251	QOTDNKVJRBZQBM-NVNXTCNLSA-N	424.330	5.186	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Cl)cc2Cl)c2ccc(F)cc2)ccc2cccnc12	54621889	AGNNODASNWFNRA-HXUWFJFHSA-N	413.279	6.588	10	10	HKCE	
COc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cccc(Cl)c2C)cc1	83260753	MOVXNDMYBQLACU-STZFKDTASA-N	420.871	5.631	10	10	HKCE	
CC[C@@H](N[C@H](C)c1ccc(Br)cc1)c1cc(Br)ccc1O	109931402	DPCZMQOVZVUMIH-BDJLRTHQSA-N	413.153	5.719	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCC)N2	226862413	KFXHLQURZFAPFZ-SYJLOODJSA-N	410.945	6.304	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	309530856	CEYVASKPAIRXBP-LJQANCHMSA-N	423.398	6.326	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	1084539606	ISRQLCCSJHUDRS-XBUHWIKASA-N	401.384	5.464	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)cc1OC	1858586340	AKIZXJDVCVVPDW-XMHGGMMESA-N	405.585	5.408	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC	1865669835	YUEUBSVWOCAGAK-XQNSMLJCSA-N	420.553	5.764	10	10	HKCE	
CNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl	1931966474	BECGVXNAGDAAAS-UHFFFAOYSA-N	407.989	5.198	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1sccc1C	2297617024	QXBIHQLLLXDQFJ-UHFFFAOYSA-N	408.306	5.241	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1	2313518034	RTNMHPOCUPSESZ-UHFFFAOYSA-N	402.877	6.209	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(Cl)cc3)C2=O)cc1	2313682674	IIGYPELOZZTXNN-UHFFFAOYSA-N	417.896	5.486	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1OC	2321601619	ALHYKBSUINWUDI-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1CCc1ccccc1	2323733274	SDDKQGAWHRNMOE-UHFFFAOYSA-N	422.344	5.032	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332140186	IXYOHVBGEHDNKW-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@H](C)CC)c2)c1C	2929015	DJNQTKZXLKYLRZ-QGZVFWFLSA-N	404.510	5.158	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc2c(-c3ccccc3)ccnc12	13648059	LMHXJABREHRSDB-QJOMJCCJSA-N	404.473	5.620	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2c[nH]c4ccccc24)[C@H]2CC=C[C@H]32)CC1	14544931	LSMRAQVITBOAIN-JDITYXQVSA-N	411.549	5.867	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546626	MSODWZFZLZCKIP-LRAJWGHMSA-N	402.321	6.387	10	10	HKCE	
CN1/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(Cl)cc21	16184132	CDQGWFOZYKXOFI-FBMGVBCBSA-N	418.996	5.154	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccccc3F)N2)c1O	20764337	UKABBQGHTWZMPB-URXFXBBRSA-N	424.903	5.806	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4cccc(OC(C)C)c4)c2c1N)CCCC3	96586993	JOXPZFYLNGXDGB-UHFFFAOYSA-N	410.539	5.388	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=N)N(c3ccccc3C(F)(F)F)C2=O)cc1	210876722	BTAXEOWZHZJYDH-RBRHTRMMSA-N	419.472	5.607	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226904593	QVWBSGCAYHJVDG-VVBPWWLESA-N	404.337	6.235	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cc(Cl)ccc1Cl	1860085158	RHCCQEJFFDGKMD-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	1865676860	OFALYVFNASBJMR-MHWRWJLKSA-N	418.280	5.484	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H](C)c2cscc2Br)c(Br)c1	2186628901	QVISYSOZPLAFMP-UWVGGRQHSA-N	419.182	5.524	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(C(=O)O)cc1	2297511226	RIDFQQWQXALMMK-UHFFFAOYSA-N	424.671	5.064	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141352	RLFFLYUUEOVNMR-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457886	OQNWPNPHUZADPE-FUCNBRFFSA-N	422.572	6.368	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	14466645	WGIHOENDSAMYPB-ZMOMAAQPSA-N	401.337	6.559	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21	14478668	QIZZVVIVANRXPZ-WRALFONMSA-N	422.594	5.242	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550292	VNKZKGRPJUIEQV-IMSXRSKXSA-N	402.538	5.584	10	10	HKCE	
CCOc1ccc2cc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(=O)oc2c1	33810185	RHAMTGMTRLJKQP-UHFFFAOYSA-N	413.433	5.859	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ncc(Cl)cc3Cl)c3ccncc3)c(O)c2n1	54200434	LQVFXYQXICVXOC-GOSISDBHSA-N	411.292	5.547	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccccc3C(F)(F)F)c3ccccc3)c(O)c2n1	54619568	ZXIMRFPXFGXBEU-OAQYLSRUSA-N	408.423	6.469	10	10	HKCE	
CCCCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)ccc1Cl	103352667	XOOXDZSVHTXSME-MHWRWJLKSA-N	421.927	5.046	10	10	HKCE	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	226795876	CRTFPBNLIYZITM-QJCIYXEWSA-N	408.545	7.040	10	10	HKCE	
CC[C@H](C)N(C(=O)OCc1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917189	MKRWWZYRZKTXGB-KRWDZBQOSA-N	413.473	5.404	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865664761	YBPGOENRKQKEKS-HAHDFKILSA-N	400.909	6.298	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OCC	1865665404	RFOJQUROEBIQHX-WJDWOHSUSA-N	412.452	5.064	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cccc(F)c2)cc1	1865678879	JDIQCCRSLRMNTK-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1	1865679768	FRIALRUWVQAZDI-GXDHUFHOSA-N	421.697	5.433	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1Br	1915271360	GMVQEJHGIXNECS-JTSKRJEESA-N	419.407	5.143	10	10	HKCE	
CC[C@@H](NCCCCCN(C)Cc1ccccc1)c1cc(Br)ccc1O	2127649731	JRTWWESBDSRPHB-OAQYLSRUSA-N	419.407	5.498	10	10	HKCE	
Cc1ccc(CNc2c(Br)cc(Cl)cc2Br)c(O)c1	2139774031	NJMTXXNFVLZRGG-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CCC[C@H]1CCN2Cc1ccccc1	2197377672	YPVIISSUTIWDRP-PGRDOPGGSA-N	405.369	5.233	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1	2296653197	QDJXCTBVYIOWRM-UHFFFAOYSA-N	402.972	5.734	10	10	HKCE	
O=C1C(=CC(Br)=Cc2ccccc2)SC(=S)N1C1CCCCC1	2297342531	GLEWVMIFFMPJOX-UHFFFAOYSA-N	408.386	5.499	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	2297470590	QRBKPGMONBGFLJ-UHFFFAOYSA-N	412.518	5.414	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Nc2ccccc2)c1	2297511442	LLTGEHYRLVWSHE-UHFFFAOYSA-N	402.885	5.802	10	10	HKCE	
COc1ccc(N2N=C(C)C(=CNc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	2297511524	DDKWYNSQGQYMHF-UHFFFAOYSA-N	410.688	5.374	10	10	HKCE	
CC(C)N(C(=O)C=Cc1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	2329520727	LQVPOSCJUPINLR-UHFFFAOYSA-N	413.448	5.056	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cccc1OC	2332117420	DWYNTVSJNUUWDY-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644352	BIMJGLSEOIPKNV-WRALFONMSA-N	415.581	5.595	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460425	GRXHDDHWKZGHIV-VWNVYAMZSA-N	408.929	5.075	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465017	ZASZXOAQPJTUQP-KNKQGSTJSA-N	416.974	5.197	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2	14545785	DDELLFOZPLLDHA-ISJBWFOZSA-N	418.581	6.174	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546894	LYAIKTDYFCIDJQ-XHNVNVPESA-N	422.355	7.399	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53364258	HYACVBBLWRTGBH-IGKIAQTJSA-N	414.549	5.884	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NC2CCCCCC2)cc1	205961571	PUYDVNRODDEJET-PTGBLXJZSA-N	403.526	5.033	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2)c1ccccc1	226722967	XYIFMKIQLRZNLB-ZFGGDYGUSA-N	400.909	6.419	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@@H]2C=CC[C@@H]21	226869645	MNNVRGLKRFPTLE-OHUGHZGNSA-N	416.565	5.784	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1	526552198	RZMWOVYGHJUELE-JOCHJYFZSA-N	424.422	5.227	10	10	HKCE	
O=C1NC(=S)S/C1=C/c1cc(N=Nc2ccc(Cl)cc2Cl)ccc1O	1084495977	VAMGLYDFOCNIPE-VKFXYYHASA-N	410.307	5.603	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	1858586556	PVKRAZFLKGJLLY-HEHNFIMWSA-N	417.640	6.570	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)cc4F)ccc3[nH]2)cc1	1872735839	CDPZLPWJLMGAFB-UHFFFAOYSA-N	420.463	5.607	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc3[nH]2)cc1	1872739418	LTCURYVECJDNLQ-UHFFFAOYSA-N	424.426	5.567	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2231451991	KVOJZRULGHRLCU-SFHVURJKSA-N	415.419	6.286	10	10	HKCE	
C[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1	2293429977	INTNPLASRNNQKM-KRWDZBQOSA-N	417.555	6.232	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	2297452923	PZNQPRQYSBVAAC-UHFFFAOYSA-N	401.422	5.278	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1	2313538574	QWUFWHCTMMIXCY-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321706233	XCRTZWUGHWRKGP-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
Cc1ccc(COc2ccc(C=C3C(=O)N(CC(C)C)N=C3c3ccccc3)cc2)cc1	2332118459	OEPXAGWWIRYVNU-UHFFFAOYSA-N	424.544	5.860	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1OC(C)C	2332133673	NDTRYTQMDHMMRY-UHFFFAOYSA-N	417.336	6.367	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2	13636564	VGMDCEFCTYHCAV-DPLHUUCSSA-N	418.518	5.020	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1/N=N/c1ccc(Br)c(Cl)c1	13980749	XORNFNBEUOIHDY-ISLYRVAYSA-N	424.907	6.639	10	10	HKCE	
Oc1c([C@H](Nc2cc(C(F)(F)F)ccc2Cl)c2ccco2)ccc2cccnc12	54619734	CUYGSXUEBXHBEV-IBGZPJMESA-N	418.802	6.407	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1	54620742	GLOVPWVSDNPMTG-JOCHJYFZSA-N	413.477	5.104	10	10	HKCE	
Cc1ccc(N2C(=O)C3=Cc4cc([N+](=O)[O-])c(Cl)cc4C[S@@H]3C2=S)c(C)c1	105505183	ZKRKMTJJIDKGHW-UHFFFAOYSA-N	418.927	5.052	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226659139	WMZORVUJNJSVLY-WDZJFXIESA-N	400.566	6.064	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2	226854195	JKYMJCJIPZNQRN-IMWIBFENSA-N	408.498	6.086	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)c(Cl)c1)c1cc(Br)ccc1O	232191060	RRHQKGMXRMJHLK-CQSZACIVSA-N	419.544	6.134	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	250968922	AEPYVOSSIPBWCB-PRVBGKCFSA-N	422.572	6.715	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526171180	UIBAGFPNLYECJP-DEOSSOPVSA-N	416.496	5.566	10	10	HKCE	
Cc1cc(C)c(NCc2cc(Cl)cc(Br)c2O)c(Br)c1	708098892	LLIFXGWPYWQKNH-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1084442040	KCZOFIGFPQYPML-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
O=C1Nc2ccccc2C1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	2042446574	LWZFGHIRDOZUNN-UHFFFAOYSA-N	419.311	6.489	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1cccc(C)c1	2293488668	IVCYNEUKAQKXMW-UHFFFAOYSA-N	413.564	5.194	10	10	HKCE	
COc1ccc(C=CC(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1	2297333282	ZVWBYHKNNYFADF-UHFFFAOYSA-N	415.537	5.440	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=S)cc1	2314488937	PXSIXTAALYTDOF-UHFFFAOYSA-N	421.499	5.995	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	2321609724	WUVTZSOQYSDRGI-UHFFFAOYSA-N	423.481	5.898	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	2321734176	SQIGSITYBWQHLD-UHFFFAOYSA-N	423.481	6.114	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1C1CCCCCCCCCCC1	2323739688	FBHADXAXYVHQFK-UHFFFAOYSA-N	405.604	6.700	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113713	ZQEUFPVGXFHQJY-UHFFFAOYSA-N	402.469	5.569	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O	2446688	IXPCPCNUBMTCOP-ABYSCFCFSA-N	422.859	6.388	10	10	HKCE	
CCn1cc(CN2CC[C@H](c3cccc(F)c3)Sc3cc(OC)ccc32)c(C)n1	12152590	VZBQQXPCIXFABU-JOCHJYFZSA-N	411.546	5.603	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457281	HXGLCMVQODMZIA-GLDPYIMESA-N	418.537	5.244	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1	20697298	GBHQWQRRVLANQX-VNAWGFGGSA-N	418.581	5.917	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764796	MBOOVQLMKIVTJS-VWNXMTODSA-N	408.904	5.970	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226842853	ZYHIBTIYJOIMNB-WENCSYSZSA-N	424.544	6.441	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250503973	JXXWIOYNNSLFEY-IPVFLDMMSA-N	416.351	8.126	10	10	HKCE	
O=C1C(O)=C(c2cccc3ccccc23)[C@H](c2ccc(O)c(O)c2)N1c1ccccc1	526300182	QAPQJQNRNOBSNK-DEOSSOPVSA-N	409.441	5.308	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1C(=O)c1ccccc1	1084226735	YOLUNYTVFJELOC-UHFFFAOYSA-N	405.457	6.585	10	10	HKCE	
O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1	1860825215	SZUOEKOWWVNYKH-VIZOYTHASA-N	424.330	5.093	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1Cl	1865664403	BHYXIRXOWHFPHP-YFHOEESVSA-N	419.617	5.995	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	1865669752	UNAAMBHNMFIGNU-PDGQHHTCSA-N	422.834	5.473	10	10	HKCE	
CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC)C1=O	1873166802	HTOYHCHOXDCSGV-OAQYLSRUSA-N	421.585	5.142	10	10	HKCE	
CCCOc1ccc2cc(C(=O)C(=O)c3ccnc(NCc4ccccc4)c3)ccc2c1	2059918667	PYPBPMSTAZIQFS-UHFFFAOYSA-N	424.500	5.701	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100206210	BGILAUMTCSTCKS-XGRCMKMKSA-N	417.391	5.304	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C	2297308212	FJTCFEAMBYDOLB-UHFFFAOYSA-N	420.509	5.778	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)c1	2321683165	JLUIXVOEVPWHIK-UHFFFAOYSA-N	410.564	5.348	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1C1CCCCCC1	2323739813	QRJIXYMGIFCFLW-UHFFFAOYSA-N	414.365	5.512	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1	2332107422	CAMXZSOLMQNYBC-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332107512	JOAHDLLEVMINIR-UHFFFAOYSA-N	423.299	5.529	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133541	YSLQFRONEBEXJM-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	2332143388	QDNCIILCQVNTLR-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473431	AHTHTPYFMPWELD-VWKPWSFCSA-N	411.889	5.669	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@@H]21	14553668	IIEOMNPNMYUEON-ISJBWFOZSA-N	410.517	6.082	10	10	HKCE	
CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)nnc1C1CC1	17769640	KRZLQYPXNFCHGO-UHFFFAOYSA-N	408.571	5.175	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)C(=S)N=C2O)cc1	33395105	SUEIOGNVICHNOG-DHDCSXOGSA-N	419.333	5.788	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54620118	XUSFYQMRWJRAGY-QHCPKHFHSA-N	416.477	5.610	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)ccc2cccnc12	54621838	DHPWDLNLPZJFGU-HXUWFJFHSA-N	413.279	6.588	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(N(C)C)cc1	526184583	FIADJJHLMUNNRZ-QFIPXVFZSA-N	420.534	5.270	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1ccc(Cl)cc1	575733004	YGVFZSCZNYZLID-GOSISDBHSA-N	409.902	5.647	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	1084288641	TYAOZKMLWXAVAR-QQFZQELXSA-N	401.384	5.464	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)ccc1F	1860087424	WIUYLZKYFPEPRZ-CXUHLZMHSA-N	422.344	5.611	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673600	NJGYQBULRYAPRW-GZTJUZNOSA-N	401.279	5.088	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1F	1865673613	NYLQDYPFEQAFIC-XNTDXEJSSA-N	421.697	5.433	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	1865680611	PYBOODLTEIBZBK-OQLLNIDSSA-N	404.253	5.093	10	10	HKCE	
[N-]=[N+]=NC[C@H]1CCCCN(Cc2ccc(Br)cc2Br)C1	1912147969	NILYTHQBXFKFBP-LLVKDONJSA-N	402.134	5.124	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc(CN)c2ccccc12)Cc1ccccc1	1946824895	UYJSYBGFAMUWSE-UHFFFAOYSA-N	409.577	5.437	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079139435	WDIVMULCZUJBNL-MRXNPFEDSA-N	409.324	5.117	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100218541	DOSNPJNBIYIGRE-NQERJWCQSA-N	418.375	5.323	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O	2296764780	SMUWEUHTBOGSTD-UHFFFAOYSA-N	407.516	5.350	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=CC2=Cc3cccc(OC)c3OC2)SC1=S	2314450850	XZLBMJZCCPVABV-OAHLLOKOSA-N	417.596	5.432	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1OC	2321569967	ZYRLOBFBQHVTAS-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N(C)C)cc1	2332096448	JBFZILVZSPOOPK-UHFFFAOYSA-N	402.325	5.251	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2	13636293	IKRDYYSCGBNWBP-SLSDLSHTSA-N	404.554	5.784	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471107	PWEPJVVQSPJDOB-XFQAVAEZSA-N	400.862	5.100	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	16930562	MWOCKTGAFNECMW-DHDCSXOGSA-N	424.330	5.026	10	10	HKCE	
O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(F)c1	33718365	GAQSMQSUAYIUBZ-WOJGMQOQSA-N	415.898	6.145	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226893922	YYJOCGZEKWCIPH-VLMJQKPGSA-N	424.544	6.013	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385573692	QXWTWYDGSWZKKN-ROUUACIJSA-N	415.419	6.315	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1	526459304	ZPIHJPILYJYFSZ-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
CC[C@@H](C)N(C(=O)/C=C/c1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911150	SDBAWTCUJAFXGE-IECKCJDVSA-N	409.485	5.307	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086313	XUQSGQFTKRENSE-CJLVFECKSA-N	416.571	5.846	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)c1	1865668515	BNWXNELWLIEPPA-MOSHPQCFSA-N	416.443	5.436	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1	1866014931	WNSYKLCKIQYHCE-ZDUSSCGKSA-N	417.292	5.774	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	2248953919	UNPMRLGANQYVPL-XMMPIXPASA-N	415.625	5.804	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2321635318	RXUCGTCHDVEUIE-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323681157	IZDUZMCJANWNPR-PWNZVWSESA-N	411.514	5.731	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(C)cc2)cc1	2332104943	HLDIZXJJBBJIHR-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
COc1cccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	3741817	WSUVREFCOXBRHV-UHFFFAOYSA-N	411.461	5.392	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2sccc2C)[C@@H]2CC=C[C@H]32)cc1C	14455999	BORYFLQPYDCABQ-ZYKOEDHHSA-N	414.574	6.752	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@H]21	14546374	WWCZVWADQGGPJH-UMEGOILYSA-N	402.538	5.394	10	10	HKCE	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14551021	SDOVKRGHZITIAY-PPJWLVRDSA-N	418.537	6.771	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	16930558	URBRMEUPPRZQLF-NVNXTCNLSA-N	424.330	5.026	10	10	HKCE	
CCOc1cc(Cl)c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC	96569771	DXWXZHXGRXYYLH-ZDLGFXPLSA-N	419.955	5.462	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=S	210228164	MEDNUVAZCLEXPK-DMAJYYCCSA-N	415.923	5.002	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226662658	XYXUIUBORDYJGI-GREBRCKQSA-N	400.547	5.813	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	250519428	ADFXOXFARVPWJV-WAWZGNHOSA-N	412.274	5.599	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1c(O)cccc1Br	706881657	ZMLARSNUSMIMJS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(Cc4cccs4)n3)cc2)cc1	1857850486	OXOZXTOJBXTCMA-UHFFFAOYSA-N	408.617	6.478	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)c1	1859096872	PSCJKIYINJDCRG-UHFFFAOYSA-N	421.928	5.230	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1860086570	RYMZLVGQNHVAQZ-CAOOACKPSA-N	400.912	5.236	10	10	HKCE	
C(=C/c1ccccc1)\CN1CCN(/N=N/c2ccc(OCc3ccccc3)cc2)CC1	1860485322	CPNWJBQOSXONKK-FOWQXTLCSA-N	412.537	5.595	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865672408	BLGFBWQMKNVBDQ-AQTBWJFISA-N	421.850	5.535	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678537	RBWQVBLRTQYHNA-XIEYBQDHSA-N	418.496	5.991	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	1891922452	ZYARBQHOXNTSOO-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079879518	DSICLQXAUFKBIF-HNNXBMFYSA-N	416.852	5.001	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@H](C)O)c(Br)c2)s1	2237720809	NQLZETGDQZMDDV-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1	2297302833	VKGLRLFNHCTGGQ-UHFFFAOYSA-N	406.825	5.104	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1	2321582960	NAADJMDKWCTLIB-UHFFFAOYSA-N	411.548	5.017	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2CCC)cc1	2332116662	MEBVEENKNFDEAW-UHFFFAOYSA-N	410.945	6.495	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc1)CC[C@H](C)C2	6877930	QXLFSYQCDIVEGT-KRWDZBQOSA-N	406.957	5.536	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1	13636234	JIIUXHZJZLTCMQ-RQTOMXEWSA-N	402.538	5.394	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456084	OWVAHUMBGXRRQI-WRALFONMSA-N	401.575	6.895	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14460227	DQPOBQGPEVCFJD-MPGHIAIKSA-N	407.682	5.771	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@@H]21	14460750	APASFXXOOIHGDT-PRXAMGSTSA-N	411.126	6.288	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465015	ZASZXOAQPJTUQP-IPJJNNNSSA-N	416.974	5.197	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465718	VLOOWOKFVYTCRE-HFMPRLQTSA-N	423.988	5.238	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14471596	XUEBTWSKQGHHBN-DAYGRLMNSA-N	418.234	5.026	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@@H]21	14552510	AFSQMMCODOFPCS-ISJBWFOZSA-N	410.517	6.082	10	10	HKCE	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	22146099	FKOOCCZQGUDXHM-XHBSWPGZSA-N	421.678	5.543	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1O	37392251	FEFNIASSSNBFQW-CYBMUJFWSA-N	419.544	6.134	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(C(F)(F)F)c1	103299460	SPPYPCSMBCRPDS-UHFFFAOYSA-N	418.849	5.283	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@@H]32)cc1	169943541	UDGIMXXFDFLYIP-XTEPFMGCSA-N	424.592	5.236	10	10	HKCE	
CCCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCC(C)CC2)SC1=S	208280807	DYWYQARNNKBIEF-XMHGGMMESA-N	411.596	5.082	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)CC1	226696830	DGPWXFDHQRUJRB-PQNGQFLHSA-N	417.509	5.293	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(NC(C)=O)cc2)sc(C)c1-c1ccccc1	1860403441	DGASULQEANQBNT-UHFFFAOYSA-N	422.506	5.111	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079022192	FHSWLEYHMHHRQQ-SFHVURJKSA-N	404.938	5.414	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O	2289757	VUOUYJYRMRAHGD-VHDJGTGISA-N	416.365	5.801	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467923	UQTUSTXKRBUXFV-STXHMFSFSA-N	417.336	6.120	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14470686	UXAFGEAVAHKUNZ-ZOCZFRKYSA-N	412.873	5.642	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479699	YMMJJUCSHZLBFB-CWNDDBTHSA-N	406.526	5.059	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1	33862766	DTBLPPLAUAGICC-UNOMPAQXSA-N	411.288	6.368	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1	54620166	MEWJRKYHZNNJKB-DEOSSOPVSA-N	416.496	6.460	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c([N+](=O)[O-])c1	54621423	RUELZKDTCFINRN-NRFANRHFSA-N	400.438	5.062	10	10	HKCE	
CCCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)C(=O)O1	58834170	CEWLMEPBPLNECE-UHFFFAOYSA-N	408.494	5.354	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21	226736877	QXCVRUAVKUWNMQ-VGTOOOLASA-N	401.120	6.832	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cccc(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910296	HJEUVQRQSSKAKG-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1ccc(Br)cc1O	2138998217	UMLGQAKKLQLWNR-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1cc(Br)cc(F)c1O	2202848605	MNCFYZJCXPYCKC-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321586528	LOSXWDSUZGMWQI-UHFFFAOYSA-N	417.320	5.369	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323852033	IPGJHFLYGYXWDC-HNNXBMFYSA-N	412.418	6.009	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(Cl)c(Cl)c2)cc1	2332104838	XHYYZTYBVLATFT-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCCC1=NN(C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	2332131481	XJQMBYMMACBDGJ-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(Br)cc1	2332147752	VGEANUQFGYXVCZ-UHFFFAOYSA-N	419.322	6.189	10	10	HKCE	
CCOc1cc(C)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1C(C)C	1137299	QKQTXVQJSFFBDF-YBFXNURJSA-N	401.553	5.512	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456753	WJYWLUYGTGOBNB-FZOAFFARSA-N	403.547	6.341	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466132	PZRFJMMPBRSFDA-BSRJHKFKSA-N	406.957	6.229	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	20710489	DYPWOUKXZMWTRH-DYLHXGEVSA-N	413.517	6.109	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c1Cl	20711758	QRLXZMYXDGTESD-MTNXABLMSA-N	416.348	6.378	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20714955	WTWFXZYGFOYKLN-GKAFBRTNSA-N	408.545	6.393	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753371	OPYCGPNRMNLGAO-KHVXQDHOSA-N	406.485	7.036	10	10	HKCE	
CC[C@H](N[C@H](C)c1ccccc1Br)c1cc(Br)ccc1O	36945604	HYRSOKWSMLUYCZ-BZNIZROVSA-N	413.153	5.719	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53363806	JHIXXUCNRBZRAU-DHLKQENFSA-N	420.484	5.161	10	10	HKCE	
Cc1ccc(Oc2ccc3ccccc3c2N=Nc2c(O)ccc3ccccc23)cc1	254708193	ZUYZDYSBSZICJO-UHFFFAOYSA-N	404.469	8.215	10	10	HKCE	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cc(Br)ccc1O	398049675	XAYHJQAEHGLHJK-NDXORKPFSA-N	417.391	5.106	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	1860076583	MAPBTJAWDPFJMP-SFQUDFHCSA-N	417.939	5.313	10	10	HKCE	
CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)ccc1O	1865649763	CRBXDBXLQWZKLG-MOSHPQCFSA-N	418.880	5.279	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865664917	RTCJVYALSMNTRE-RGEXLXHISA-N	407.300	5.824	10	10	HKCE	
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c2cc(F)ccc2n1	1866278652	NZYKWOHVAOTBPP-UHFFFAOYSA-N	415.468	6.124	10	10	HKCE	
O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1cccc2ccccc12	2296807928	AXQXOGUORKNQPH-UHFFFAOYSA-N	422.531	5.053	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1C	2297320751	RAPKHGMLAOSHME-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1Cl	2313608919	AFBAIWAGFOAEQN-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(N2CCCCC2)cc1	2321685233	ZURXZJGVEGKGRB-UHFFFAOYSA-N	416.518	5.361	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)cc1	2321698428	PUQDJXFPUCHZBL-UHFFFAOYSA-N	415.555	6.191	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccc(O)c2)cc1	2332094906	TXYCRCANQKIWKW-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332099288	DZMAVXDCCDSQIE-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1ccc(F)cc1	2332100090	JVMAICCPRPCWEG-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131948	XIYXCWOJZGRYOV-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14456247	QQOWMSFQDZADNJ-WATLYSKOSA-N	414.574	6.454	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1Cl	14476891	MTYOASBFZFPMIX-HOOSLVGPSA-N	408.328	7.612	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2)N1CCCCCC1	14551276	ULXFEKTWXZMBAK-IMSXRSKXSA-N	408.567	5.078	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14552283	IVOVWCHWOYEMSQ-WRALFONMSA-N	418.606	6.251	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14552423	BULJZNHXBQVDIY-RQTOMXEWSA-N	414.936	6.727	10	10	HKCE	
CCc1ccc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	16926429	XPOBPDXBTZSRPD-MNDPQUGUSA-N	419.612	5.656	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	20689604	WJYWLUYGTGOBNB-PIBDYAPNSA-N	403.547	6.341	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749567	ACEBKECZKZZDAW-IPVFLDMMSA-N	413.517	5.980	10	10	HKCE	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1	33343269	LMUQTURAVPCLPX-BKUYFWCQSA-N	417.440	5.048	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)c1	40867512	NDJWUQXCJFQWMU-NVNXTCNLSA-N	424.330	5.186	10	10	HKCE	
O=C(Oc1ccc(N=Nc2ccc(C(=O)Oc3ccccc3)cc2)cc1)c1ccccc1	263630047	CZTGAUOTWSCOJW-UHFFFAOYSA-N	422.440	6.540	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1	526209581	VFNPIXZOEGQHGG-LJQANCHMSA-N	413.882	5.178	10	10	HKCE	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	1858586385	DKMZGQBCEZUYIW-HMMYKYKNSA-N	411.592	5.437	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@H](C)c3ccccc3)C1=O)cn2C	1858589310	VVVRAYOWEWDSFW-XLTHYULKSA-N	408.548	5.149	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656595	MWWGZSZBDPHCOR-XMHGGMMESA-N	423.299	5.837	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O	1865677116	WUIMYVKERFDONO-VBKFSLOCSA-N	422.834	5.473	10	10	HKCE	
Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1	1874180935	ZHTXXJXLBVTNLZ-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	1946863275	GVRYKVPXLFWHCH-UHFFFAOYSA-N	423.601	5.615	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C(C)C	2079702072	MJANBJNJVMFPEO-UHFFFAOYSA-N	405.258	5.665	10	10	HKCE	
CC(C)c1nn(Cc2c(O)cccc2Br)c(Br)c1C(F)F	2079716981	NQMAXZGASJPELO-UHFFFAOYSA-N	424.083	5.223	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(N)c2Br)cc1C	2080000508	VKLAFXZUCUOGNH-IBGZPJMESA-N	404.352	5.207	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(Cc2ccccc2)CC12CCC2	2154938598	XIHDLSVPAAKHPP-FQEVSTJZSA-N	405.369	5.233	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(Cl)cc2)cc1	2313683552	CPHDNLZONMXTCW-UHFFFAOYSA-N	417.896	5.486	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccccc2Cl)SC1=S	2321635521	FPIGBAGEZFVLJO-UHFFFAOYSA-N	410.347	5.716	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	2321656166	GRKDOXZMRNRZEA-UHFFFAOYSA-N	404.900	5.216	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1	2323752238	LRHMLSUCUUQCOD-UHFFFAOYSA-N	422.344	5.298	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2c(Cl)cccc2Cl)cc1	2332103851	DSFZGBMDSIUHIS-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	2332129671	AZLBLERJPDRCTJ-UHFFFAOYSA-N	412.331	5.101	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635698	FAYSCGOUXOOHSD-HFMPRLQTSA-N	402.538	5.538	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14458118	OJRUYBBPTKVAIB-WCYRKSIYSA-N	414.593	6.310	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)N4CCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14461799	BTNZLFHZXGZHQP-SGIRGMQISA-N	415.581	5.595	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545187	DGEKQOGKENOJIF-SBQVMTCPSA-N	419.528	6.271	10	10	HKCE	
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1	34707203	JKVZKCKFCLFCMZ-YBEGLDIGSA-N	420.353	5.254	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	100374133	JXXWIOYNNSLFEY-UZINWLIJSA-N	416.351	8.126	10	10	HKCE	
COc1ccc(NCc2cccc(Br)c2O)cc1NC(=O)OC(C)(C)C	378895718	USDFDZHCXIXCQP-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)/C2=C/c2ccccc2)cc1	1865649750	BXWWTGPYEIPMLO-XMHGGMMESA-N	420.871	5.318	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3cccc(Br)c3)C2=O)cc1	1865656792	RWJUMGIBDZSJAI-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	1865670301	SKYFGBAZHIAVSP-LFIBNONCSA-N	419.308	5.597	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1Br	1915478204	VYTPDMVAVJBCRU-HXUWFJFHSA-N	417.391	5.133	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034702526	LHPWGRPVHXEAEB-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2034819023	STFGXJCHTUCLKE-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc([C@H](C)NC)c(Br)c1	2035634266	HAHKXQLEXOTGTJ-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1	2313609756	MOEDHYOHNVMAFY-UHFFFAOYSA-N	403.956	5.925	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141745	VMKJVEZKNUZZLC-UHFFFAOYSA-N	410.517	5.848	10	10	HKCE	
CC(C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	6307284	ZGAWHKPEFNVKOL-OCOZRVBESA-N	421.522	5.682	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	13643487	JLINHHBPCIZGGA-ABSDTBQOSA-N	416.306	5.184	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462140	ZDIWWFBUIWRWNG-VBOOUTDYSA-N	424.588	6.938	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464027	OMNAGYWTTHIUHZ-LLGBQNBKSA-N	422.572	6.729	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14544659	ADFXOXFARVPWJV-ZQGRQUNCSA-N	412.274	5.599	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712711	UFTBGIXDRLKDFY-QRHKASNESA-N	415.364	6.348	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753728	YMOGFWXGYLJFEG-QECWJDIYSA-N	419.568	7.854	10	10	HKCE	
COC(=O)c1ccccc1C(=O)c1cc(Br)ccc1Nc1ccccc1	196692139	YWSWODOJPQSDSR-UHFFFAOYSA-N	410.267	5.210	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	251321051	GULDTMJECVYPMS-XYHOUYMGSA-N	416.974	5.243	10	10	HKCE	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1N=Nc1cccc(Cl)c1C	252595376	CAMUYSQHAZHQDP-GOSISDBHSA-N	409.902	5.647	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858588493	IZDUZMCJANWNPR-RTRDWYQWSA-N	411.514	5.731	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	1860085223	WRPFMUBDOACAPZ-DEDYPNTBSA-N	407.516	5.350	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	1860085983	BFZGLAHAMKFUNL-LZYBPNLTSA-N	420.353	5.177	10	10	HKCE	
CCCOc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871103898	ZSORIFYFTQCJMO-UHFFFAOYSA-N	405.542	5.649	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCCCc3ccccc3)cc2)SC1=S	1871285426	DPKZQUXUCVTWLT-RCCKNPSSSA-N	411.592	5.555	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1Cl	2297357281	WKLGIAZKOFGJCY-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2321658154	QFJQKALCMWZHTO-UHFFFAOYSA-N	407.491	6.024	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672414	OQMFYOVYCMQPCQ-UHFFFAOYSA-N	404.516	5.542	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)cc1Br	2321702431	BJCMIBJHZITIGF-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133500	UHAYKZCORJUHSV-UHFFFAOYSA-N	411.505	5.555	10	10	HKCE	
Cc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3Br)c2C)cc1	9228549	JTTUVEVSYBAXLL-UHFFFAOYSA-N	412.331	5.487	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464126	QJFHQVGDZOHDLE-KJWPAHLWSA-N	418.562	5.355	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469279	IOIBVUREWRIWRN-MHPIHPPYSA-N	420.509	5.186	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477668	XLAOLEFTBNDPDF-AVYPCKFXSA-N	401.337	5.958	10	10	HKCE	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1	14903952	QJHLINOCXNEYHR-BJOFFIMRSA-N	422.575	5.171	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1	15045975	GYEYMIAYXOLLBB-KWKYHROZSA-N	422.575	5.170	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20764405	JHFPSOQHSTXSGR-ZEQKJWHPSA-N	418.512	5.715	10	10	HKCE	
COc1ccc([C@H](C)Nc2ccc(Br)cc2Br)c(O)c1	36956686	GLXYUBWZEJEFRE-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1	96610664	QSPFLYRRHVKOST-VCHYOVAHSA-N	416.354	6.552	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100375051	KLORZZFGWPRBOM-JUMFHWHPSA-N	405.541	7.607	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226702105	UQTUSTXKRBUXFV-SIFCLUCFSA-N	417.336	6.120	10	10	HKCE	
Cc1c(I)cccc1NCc1cc(Cl)cc(Cl)c1O	311792302	ANFDTMUTQYVUJB-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	1860084051	MLNHLEKZQUOLDO-QGMBQPNBSA-N	414.939	5.544	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	1860085186	UKZWSOQGDBOSNC-CXUHLZMHSA-N	420.899	5.053	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	1860087157	DSVBOYUYLCCXGB-LFIBNONCSA-N	408.470	5.177	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccn2C)sc(C)c1-c1ccc(Cl)cc1	1866110443	FSEUHHKFQUDCOT-UHFFFAOYSA-N	402.903	5.144	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1Cl	1891918721	JLFCSOGOCHPVIM-UHFFFAOYSA-N	418.849	5.283	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2095888841	OANNNQRKQJMPJX-UHFFFAOYSA-N	415.419	6.286	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231463827	SYOPWAGBWIOYQX-UHFFFAOYSA-N	415.419	6.144	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1	2297295868	LKBATXHISAHLAK-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	2321647015	MVHYMKGELDCCGM-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(Cc3ccccc3F)C2=O)cc1OC	2323854618	DFDAKRYQIOAJAO-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CCC)cc1OC	2332125825	UAVULLPOVRGPOH-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2)c1ccccc1	14458807	IGHAIAVPNKJPDE-DPZBCOQUSA-N	408.545	6.488	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@H]32)CC1	14475365	QTBBCVAUFWOKTM-JCYRPKCISA-N	423.560	5.054	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546261	SCJLHXZQGGXZFM-OREGWCPLSA-N	413.517	5.980	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CC=C[C@H]32)CC1	14550900	SUZGRBKHFQCPCF-MZKRTTBSSA-N	417.509	5.293	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)cc1)CCCCC2	20532506	SNQSGRMQWHYHFE-NHCUHLMSSA-N	421.629	5.437	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	33315546	JZTLBFQYSVLOLH-XDHOZWIPSA-N	422.487	5.569	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2oc3cc(O)ccc3c2Cl)SC1=S	102862907	BGJQGOFADUKWBU-JDAJCMJVSA-N	415.923	5.754	10	10	HKCE	
CN(Cc1ccccc1)C1(CNCc2cccc(Br)c2O)CCCCC1	714234034	YBTIZENLQBVLRY-UHFFFAOYSA-N	417.391	5.079	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Oc2ccccc2)cc1	1860084696	CGEQZDLUVWCPKJ-XSFVSMFZSA-N	407.491	6.024	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1c(F)cccc1Cl	1865664776	ZAJTYUGPLZSGHD-JLHYYAGUSA-N	409.263	5.854	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3[nH]2)sc(C)c1-c1ccc(C)c(C)c1	1865976559	WWRMBRPYZVSKED-UHFFFAOYSA-N	418.518	5.861	10	10	HKCE	
CCOC(=O)c1ccc(Cn2c(-c3ccc(N(CC)CC)cc3)nc3ccccc32)o1	1873521251	IHZJOXFDVYZWLF-UHFFFAOYSA-N	417.509	5.368	10	10	HKCE	
CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1	1874153158	LMXWORHZFUSOIQ-GOSISDBHSA-N	404.510	5.610	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2297349817	WZLBQRSVINGLJX-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	2321702429	BFZGLAHAMKFUNL-UHFFFAOYSA-N	420.353	5.177	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)ccc1[N+](=O)[O-]	2321742546	VKXIBUVALOWQSQ-UHFFFAOYSA-N	408.863	5.102	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)cc1OC	2332140377	AZOHKNSNTJGXDH-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1	2332140841	OBRRVHHCGWRVLF-UHFFFAOYSA-N	422.406	5.549	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1	5642320	XVRSTTQKESVFIP-AQTBWJFISA-N	411.548	5.177	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457887	OQNWPNPHUZADPE-ZXDNMGRFSA-N	422.572	6.368	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462375	ICGOVVJSQCOORU-FBLLAGFSSA-N	403.570	5.499	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466841	ZHIGCUDKFWVZMP-AXHZCLLHSA-N	400.909	6.419	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468241	VQMXUZOMUIFABG-GCKMJXCFSA-N	414.299	5.210	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477225	QMFONGLCDORXKD-ZSDSOXJFSA-N	404.337	6.235	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551061	BZUHJNLFSSZZLY-XFQAVAEZSA-N	411.889	5.813	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@@H]2CC=C[C@@H]32)cc1	20714490	YVXFIZXLGVMSSB-JQYIIUTOSA-N	424.544	6.473	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364168	VGGOJQIGQUTQGQ-RCZVLFRGSA-N	420.484	5.161	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccc(Br)cc2)cc1	59228979	FDMHGNVBQJPKSX-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1	59230087	HSNMQYGRYCLYRD-STZFKDTASA-N	407.300	6.136	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)ccc1OCc1ccccc1F	96591863	OUWQFSXDTJXIRB-JCMHNJIXSA-N	400.453	5.519	10	10	HKCE	
O=C(N[C@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1	254432853	WEGBNVJTBUUKNO-DEOSSOPVSA-N	424.460	5.746	10	10	HKCE	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2c(O)cccc2Br)c1	706872557	XJWIFPFMUPGJPH-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1858588529	KRPRURLQOVMUFW-RTRDWYQWSA-N	422.413	5.475	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O	1858588675	RKRKWMOEMVYHLD-NBFHKFELSA-N	417.625	5.039	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	1860084896	VVQCPAYYFQHKFI-CXUHLZMHSA-N	410.347	5.798	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860086828	JZNOHWOFVNEABZ-MHWRWJLKSA-N	409.454	5.428	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675056	MMUYUNRDAQJJFT-LDADJPATSA-N	420.896	5.794	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)CCCOc3ccc4ccccc4c3)cc2)cc1	1865933816	UUGUJQICFYGLEH-UHFFFAOYSA-N	410.517	5.811	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc3n[nH]cc3c2)sc(C)c1-c1ccc(C)c(C)c1	1866158240	ANBXFBWEMPHFRP-UHFFFAOYSA-N	419.506	5.256	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C(C)(C)C	2079747146	OHFXVAHBEDYSJL-UHFFFAOYSA-N	419.285	5.839	10	10	HKCE	
CCN[C@@H](c1ccc(N(C)C)cc1)c1cc(Br)sc1Br	2163078233	HGTCTASELSKSRW-AWEZNQCLSA-N	418.198	5.038	10	10	HKCE	
C[C@H](c1cscc1Br)N(C)c1ccc(CN)c(Br)c1F	2186579048	JPIOYUFUVQCSBJ-MRVPVSSYSA-N	422.161	5.068	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(COc3cccc(C(F)(F)F)c3)o2)SC1=S	2295450076	YZIUJTRWPZCQPB-UHFFFAOYSA-N	413.442	5.099	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672395	IQSRWUAVJLQKGD-UHFFFAOYSA-N	422.962	6.489	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O	2323681364	RKRKWMOEMVYHLD-AJNGGQMLSA-N	417.625	5.039	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1C1CCCCCCC1	2323725710	TWSDUHDRBBTVFU-UHFFFAOYSA-N	400.396	6.308	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129771	MMDCCNMSJIODGK-UHFFFAOYSA-N	407.670	5.438	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N12	4150677	BQBRQZGQYPOBFE-VROQGOMBSA-N	410.930	5.223	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)cc1)CC[C@H](C)C2	6877989	HULANHNBNWIAED-PWRODBHTSA-N	421.629	5.293	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(O)c1	13640279	OBYUCHCIGLIUJL-UMTXDNHDSA-N	413.517	5.936	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456081	OWVAHUMBGXRRQI-FBLLAGFSSA-N	401.575	6.895	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Oc1ccccc1	17091254	ZDPZVESEGUGGLB-XQNSMLJCSA-N	417.896	6.241	10	10	HKCE	
CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1	109677516	ZVFLGZMQJFNDTA-SFHVURJKSA-N	413.587	5.248	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1/SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	1084053400	NAQCTZJNQDMRDR-SAGAUJLNSA-N	423.607	5.901	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	1865666015	YRMLHLIUTUYMSS-AUWJEWJLSA-N	417.189	5.477	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC	1865668994	AMINDJXGNNSHAG-XSFVSMFZSA-N	412.917	5.724	10	10	HKCE	
Cc1noc(C)c1COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1	2040465490	QIKABBHBSFOEOA-UHFFFAOYSA-N	422.531	5.276	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2Cl)C(C)(C)C)cc1C	2080041412	CANLGQOSGWARRJ-AWEZNQCLSA-N	404.816	5.211	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1CNc1ccc(F)cc1	2313502096	PCVAIQRNKUGGKF-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2313510729	JLRSDIROCDWMIH-UHFFFAOYSA-N	402.277	5.261	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1O	2332124653	AMACGMIJKMPWRE-UHFFFAOYSA-N	419.706	5.394	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F	2332127682	XKQZWKQRNPANJR-UHFFFAOYSA-N	415.234	5.168	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1ccc(C)c(Br)c1O	2380794250	YPHZFPPGHITYEP-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)NCc3ccccn3)c2C)cc1	4418658	ZOJFRTCJUTXDPR-UHFFFAOYSA-N	411.505	5.176	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635702	VSQHYMLQKOXISI-WRALFONMSA-N	416.565	5.926	10	10	HKCE	
CCOCCCNc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3	20857872	VZFXYUYEJZTTND-UHFFFAOYSA-N	419.525	5.114	10	10	HKCE	
CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc3ccccc23)cc1	39882021	KRWIDKKTZJULKO-HAVVHWLPSA-N	415.537	5.048	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226893497	JIAFZMKDIOGCBV-UQARTHHBSA-N	418.540	7.168	10	10	HKCE	
OCCCCCCOc1ccc(N=Nc2ccc(N=Nc3ccccc3)cc2)cc1	254391005	BKFMEJOMVDFRIY-UHFFFAOYSA-N	402.498	7.449	10	10	HKCE	
Cc1ccc(N(c2ccccc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)s2)cc1	254509349	FNBMQJJFYXEDCU-UHFFFAOYSA-N	414.490	7.850	10	10	HKCE	
CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1cc(N=Nc3ccccc3)ccc1O2	254734793	WCNFPNBDBFSQKE-NDEPHWFRSA-N	415.496	7.477	10	10	HKCE	
C[C@H](Nc1cc(Cl)ccc1I)c1ccc(N(C)C)cc1	690186751	RHOGOYITFHWWHE-NSHDSACASA-N	400.691	5.184	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865679879	LEEZLJYASLDPNE-STZFKDTASA-N	417.852	5.078	10	10	HKCE	
CC(C)(C)c1ccc(C=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	2295384276	RTKGPOBFEXBTBS-UHFFFAOYSA-N	409.485	5.411	10	10	HKCE	
CCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(C(C)=O)cc3)cc2)cc1	2297707850	RXHUFQGMVXIRNU-UHFFFAOYSA-N	416.477	6.703	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S	2323676084	OGFONQQGAGZVQD-HNNXBMFYSA-N	413.564	5.274	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	2332103860	FBIBAIAIUVAXJR-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140689	BUJNCFWUSYIVKO-UHFFFAOYSA-N	400.444	5.904	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782008	RDFNTLZQIUIMDQ-UHFFFAOYSA-N	415.581	5.095	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O	14457421	AHPCWKIFWBRVFW-XXAUWVGASA-N	419.565	6.577	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14460586	QXHANFUCRRMQGG-JCYRPKCISA-N	407.985	7.516	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460624	DGIPOMBVNPBQQH-XFQAVAEZSA-N	401.337	6.559	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	14462301	WIELDVWTCBABHY-JCYRPKCISA-N	417.597	5.841	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14464233	QRSKBPNEYOQXRJ-POGFHVCPSA-N	423.560	5.054	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470013	MPPHOJPSOHIDEB-PPJWLVRDSA-N	424.544	5.794	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473513	UPPVFOMXOMRVIW-XCGNWRKASA-N	411.889	5.813	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20686658	BIMJGLSEOIPKNV-RQTOMXEWSA-N	415.581	5.595	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20695206	HWSJEDYPRFYJBQ-PQNGQFLHSA-N	420.984	6.571	10	10	HKCE	
CC[C@@H](NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388466917	DLVIRJCSEHZTDO-GHTZIAJQSA-N	417.391	5.108	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076574	LOSXWDSUZGMWQI-IZZDOVSWSA-N	417.320	5.369	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OCC	1865667926	WRVOAKLYWARPSI-OQKWZONESA-N	420.553	6.159	10	10	HKCE	
COC(=O)c1c(NC(=O)C(C)(C)c2ccc(OC)cc2)sc(C)c1-c1ccccc1	1866242796	UPVUUAOHVVBYCH-UHFFFAOYSA-N	423.534	5.435	10	10	HKCE	
CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1Br	2079987221	WEPOHVDYSXOXFH-HNNXBMFYSA-N	421.335	5.022	10	10	HKCE	
FC(F)CN(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2223532570	KERRMMIIMRLZDQ-UHFFFAOYSA-N	409.318	5.363	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1ccc(C)cc1	2293253046	IIPBGWHNLHSWLF-UHFFFAOYSA-N	413.564	5.194	10	10	HKCE	
Cc1cc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)ccc1[N+](=O)[O-]	2297297258	XLVNZMNBPXJJTH-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(C)c(C)c2)cc1	2313683749	ZXIHWQLJSFSVEE-UHFFFAOYSA-N	411.505	5.449	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(N2CCCC2)cc1	2318756628	PCBFBRYXDJHLGR-UHFFFAOYSA-N	400.956	5.346	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	2321596609	KXFDLFYFXHGRKJ-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140799	KQEVBJMIQAZORB-UHFFFAOYSA-N	406.835	5.941	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(Br)c(F)c2)c(O)c1Br	2380748544	FXYFDROXGCIKPL-UHFFFAOYSA-N	403.089	5.001	10	10	HKCE	
Cc1ccc(CN(C)[C@H](C)c2cscc2Br)c(O)c1Br	2380764350	CLXYFDULOFJGAW-SNVBAGLBSA-N	419.182	5.480	10	10	HKCE	
Cc1ccc(-c2cc3c(n2-c2cccc(Br)c2)CC(C)(C)CC3=O)cc1	4884966	LNIOHWOZZRRTGF-UHFFFAOYSA-N	408.339	6.370	10	10	HKCE	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1	5959383	BXTFSFAKKWJPGD-XSFVSMFZSA-N	418.876	5.909	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(N)=O)cc4[C@@H]4C=CC[C@H]43)ccc21	20684215	XXAFCHFACQILFH-DZTNWFRXSA-N	407.517	5.740	10	10	HKCE	
O=C1/C(=C/C=C(/Br)c2ccccc2)SC(=S)N1c1ccccc1F	33446679	BLTQBRVQDILUBH-VKDWSQHSSA-N	420.328	5.510	10	10	HKCE	
O=C1/C(=C2\C=C(c3ccccc3)Oc3ccccc32)SC(=S)N1c1ccccc1	33861377	PQASNGVIWILYKZ-QOCHGBHMSA-N	413.523	5.896	10	10	HKCE	
COc1ccccc1[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cccc(OC)c2O)N1	53363633	SMQZVYPOGFLROL-RDPSFJRHSA-N	422.912	5.285	10	10	HKCE	
Brc1ccc([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1	58929467	WQHYDXHDMTWESQ-ZFGGDYGUSA-N	402.335	6.943	10	10	HKCE	
CC[C@H](NC[C@]1(C)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	311975198	LQKAWUHGKXWDRM-UNMCSNQZSA-N	417.391	5.108	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c(C)c1	1083990590	UWMFOKMYNLUYQX-SXGWCWSVSA-N	420.353	5.177	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860086777	GXQCNOVEMSBZSH-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccccc2F)cc1	1865654393	SUWVZUYNOSUBRB-XSFVSMFZSA-N	420.871	5.318	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865658837	UDQCVTUGZULLSR-PDGQHHTCSA-N	420.862	5.982	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665954	VJNDLRFQNWUTJQ-HMMYKYKNSA-N	402.881	5.492	10	10	HKCE	
CCN1CCc2cc([C@@H](N)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999536037	FCYKRCSXLKEECM-QHCPKHFHSA-N	423.601	5.286	10	10	HKCE	
CN(Cc1sccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2006176848	ZKGZXXDWSXNRJF-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC(C)(C)O)cc1Br	2231480471	KUICDSXCJXYGTO-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C	2297316232	YDOZIUJGKMOZJX-UHFFFAOYSA-N	420.553	5.040	10	10	HKCE	
O=C1C(=CC=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1	2313533026	NAVRUXPDWCLSKU-UHFFFAOYSA-N	402.884	5.210	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Cl)c3ccccc3n2)SC1=S	2313830468	VTKQFMHOUIQHIX-ZDUSSCGKSA-N	410.951	5.851	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323767071	OIDYVZPFWYNETI-LLVKDONJSA-N	422.344	5.551	10	10	HKCE	
Cc1ccc(C=CC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1	2329520888	PZYQWGFPOBEBDI-UHFFFAOYSA-N	409.485	5.225	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2ccncc2)sc(C)c1-c1ccc(C)cc1	2330153056	TUKROKMGEWCICL-UHFFFAOYSA-N	406.507	5.256	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCCC1	4819007	WELPSTDHUUCDBA-HFMPRLQTSA-N	417.509	5.438	10	10	HKCE	
Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C)cc(C)c2)c1	5196896	FBWICBARUCNSSU-HZHRSRAPSA-N	411.461	5.355	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2	13636296	IKRDYYSCGBNWBP-HWBMXIPRSA-N	404.554	5.784	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457916	WMZORVUJNJSVLY-MZEQIWSPSA-N	400.566	6.064	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14458252	IXBLDLZFOBVUGO-WRALFONMSA-N	416.546	5.622	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14463763	NASZQGNHZHSODS-JLMWRMLUSA-N	423.297	6.271	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467117	GXTHJNOZVZHDKJ-RVPKQNPDSA-N	407.253	5.442	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21	14546408	ORVHEXYGBUMFDL-DFIYOIEZSA-N	402.538	5.538	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753830	KLORZZFGWPRBOM-KULFAVDPSA-N	405.541	7.607	10	10	HKCE	
O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCC[C@H]1c1cccs1	60934950	YROKSDCLYPXRQS-FQEVSTJZSA-N	424.953	5.408	10	10	HKCE	
C[C@@H](CNC1=C2Sc3ncnc(N(C)C)c3N=C2CC(C)(C)C1)c1ccccc1	1088716145	XPBMHWJRPOAGQI-HNNXBMFYSA-N	407.587	5.146	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)c1	1859041295	MQAJWCHRAXUEBI-SDNWHVSQSA-N	419.912	5.310	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1F	1865664819	MOPAWNCRBMZFDU-WQLSENKSSA-N	417.189	5.477	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Cl	2079849351	VWSIGOPQFZLYMN-SFHVURJKSA-N	420.937	5.114	10	10	HKCE	
CCOc1ccc(C2=NN(C(C)=CC(C)(C)O)[C@@H](c3ccccc3O)C2)cc1Cl	2297511118	JGTCXKHOPWHMJT-HXUWFJFHSA-N	414.933	5.270	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1	2323752441	HEPFTMWSVJXYFY-UHFFFAOYSA-N	404.354	5.159	10	10	HKCE	
O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323865496	JIASPUGHUPYBSA-HNNXBMFYSA-N	424.330	5.021	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332099961	XBQHNDWXHARQCT-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
CCc1ccc(NC2=NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)S2)cc1	5781993	WTAVGDBUMNURPH-KGENOOAVSA-N	402.523	5.134	10	10	HKCE	
Cc1cc(Br)c(O)c(/N=N/c2ccc(I)cc2)c1	13980728	UQHUWCQZLFOJLG-WUKNDPDISA-N	417.044	5.483	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546555	RQHDDQGGABVAJL-LLJLJFOGSA-N	407.344	7.564	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1O	20694798	BTTJUSQJPKLQPJ-KHCICDEESA-N	412.489	5.480	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Br)cn2)c2ccccc2)ccc2cccnc12	22019038	IOTNSFQEGNDYOS-LJQANCHMSA-N	406.283	5.299	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	33406319	PNNXWVQLNJZQRV-YAXRHUFXSA-N	405.466	6.058	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1O	36347870	DOYKPLGJPIRTEI-DEOSSOPVSA-N	404.554	5.495	10	10	HKCE	
COc1ccc([C@H](C)NC(=S)N(c2ccccc2)c2ccc(N)cc2)cc1OC	243106606	JECXAGNTOJCYFB-INIZCTEOSA-N	407.539	5.060	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	251367223	QCQBYXCEPLZWMM-UDQIJZATSA-N	409.526	5.716	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=O)CC(C)(C)C2	256020864	GYEPKXMXNOQKJS-UHFFFAOYSA-N	401.466	6.411	10	10	HKCE	
CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2)c1CNc1ccccc1	606656030	WJPFSVVYXIDVLR-UHFFFAOYSA-N	410.517	6.242	10	10	HKCE	
O=C(/C=C\c1ccccc1Cl)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084472091	HQZGQPWMWLCKDE-UVSNGMCQSA-N	420.925	6.282	10	10	HKCE	
CCCCOCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1858587472	DHBPYKDITSEAFX-RVDMUPIBSA-N	404.384	5.401	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)ccc1F	1860074891	XTYPXWHQSLAAKJ-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	1865664282	JGDDCGZCUADBRE-JYRVWZFOSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1	1865680029	STGOVFQLFSSGBZ-XNTDXEJSSA-N	404.253	5.488	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	2053496642	FIAPHRBPRJMCAC-UHFFFAOYSA-N	411.548	5.114	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1c(O)cccc1Br	2138106529	YQFZUTFSMRZSDE-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2294956844	OKXRIBXLQGWQPT-UHFFFAOYSA-N	407.473	5.319	10	10	HKCE	
O=C1C(=Cc2cccnc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2296883257	PQUVDUWKXKGPBM-UHFFFAOYSA-N	400.834	5.160	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2313513963	YDFUVKZYVYXKKK-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321602861	CSATVIJDUCIWIN-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1	2323854341	MYLQMDQIFYNGAW-UHFFFAOYSA-N	413.608	5.645	10	10	HKCE	
Cc1ccc(CNCc2cc(Cl)ccc2Br)c(O)c1Br	2381136135	BDCBQFTZPMLZTJ-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13644749	BYQLXYQTNLDCAL-OARDWFSCSA-N	424.588	6.591	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456621	MYYBWSCEISFWAM-FZOAFFARSA-N	414.574	6.155	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477133	LMEUXLTWQQZTTF-QZTZHPFYSA-N	416.392	7.779	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14478647	QECOUYDGQKJWHD-HWBMXIPRSA-N	422.594	5.386	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678623	BQHQICPWQPKSAH-DDKMDXNESA-N	424.544	6.013	10	10	HKCE	
COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3O)C2)c1	53363367	HDMHDSOWALSSLN-URXFXBBRSA-N	422.912	5.285	10	10	HKCE	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Cc4ccc(O)c(O)c4)cc3)sc2c1	170245431	DFUREQGNZVLOTD-HNNXBMFYSA-N	418.518	5.500	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2ccc(F)cc2)cc1	205967246	XJURDJSUHKMYPM-PXLXIMEGSA-N	419.431	5.110	10	10	HKCE	
O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	208142370	XNPSIFDSQCEHOD-LICLKQGHSA-N	417.874	5.011	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@@H]4C=CC[C@@H]43)ccc21	226634491	XWDAWWRXHGXLOY-JVAFGIKQSA-N	423.516	6.858	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	226692694	VYUOFZBAMLZSFA-ZFGGDYGUSA-N	419.525	5.684	10	10	HKCE	
CC[C@H](NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388466937	DLVIRJCSEHZTDO-RXVVDRJESA-N	417.391	5.108	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1	1858587708	WGWWTUUROVTSEO-VGOFMYFVSA-N	419.984	5.067	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	1865669678	QPPPRDNBNLPSGJ-HKOYGPOVSA-N	412.489	5.319	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671753	BRQLECLIWAKDFJ-KGENOOAVSA-N	406.526	5.373	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679503	QJKZQJQZUJFULO-NLRVBDNBSA-N	418.496	6.225	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CC[C@H]2CCCN2)sc(C)c1-c1ccc(Cl)cc1	1866257979	IXUNWCUVVQIRGX-MRXNPFEDSA-N	420.962	5.024	10	10	HKCE	
Cc1ccc(C2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1	2295491524	NFPBHSWPWBZSOA-UHFFFAOYSA-N	404.447	5.533	10	10	HKCE	
COc1ccc(N2C(=O)C(=CC(C)=Cc3cc(Cl)ccc3O)SC2=S)cc1	2297559521	DJBOCEUSMFKLMV-UHFFFAOYSA-N	417.939	5.406	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1	2297616833	URISHBXYMXYNIY-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
CCCCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S	2314433474	NNOBCLOXYARLDF-UHFFFAOYSA-N	415.536	5.125	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(SC)cc2)SC1=S	2321635505	BDRABBPISKBNOD-UHFFFAOYSA-N	421.996	5.785	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)c1	2321733968	RDVHZZMHIAHTQW-UHFFFAOYSA-N	417.606	5.140	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)c(F)c1	2321745676	GTWJRTVEWNGUSC-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323680576	JPJCMIXHRRLUQR-XWUBHJNHSA-N	412.407	6.019	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(N=NN2CCN(CC=Cc3ccccc3)CC2)c1	2330196850	LZBCHIQJHJMZID-UHFFFAOYSA-N	408.855	5.689	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)C(c2ccccc2)=NN1c1cccc2ccccc12	2332099838	JBAHJEBEXNDABQ-UHFFFAOYSA-N	424.503	6.828	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13636333	HSAMPRTZNOBWDC-HWBMXIPRSA-N	402.538	5.538	10	10	HKCE	
Clc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14465483	CBJWBGGBWGQYFC-PPJWLVRDSA-N	415.964	7.178	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14478486	PORDYLCTJDDNJN-WRALFONMSA-N	416.546	5.622	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545562	NOHZBSDKXAAIIE-JXQFQVJHSA-N	402.538	5.538	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccccc1F	33315494	MQIABSHHOABQEZ-NTUHNPAUSA-N	400.283	5.244	10	10	HKCE	
CCc1nc(-c2cc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c(C)s2)no1	35554863	FZSOWHSKSFWFJT-UHFFFAOYSA-N	406.511	5.329	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)c1Cl	250209091	KMFNOGLLGAZPJC-DUQZYUJVSA-N	416.348	6.378	10	10	HKCE	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C	254487519	BYSWDNBNMZHMHK-JHLORLFGSA-N	400.647	6.856	10	10	HKCE	
CC[C@H](Nc1cccc(OCc2ccccc2)c1)c1cc(Br)ccc1O	311526054	QGHBBBSJBRNECY-NRFANRHFSA-N	412.327	6.297	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1	526427643	SXKDTWAPIBWBOX-LJQANCHMSA-N	413.882	5.178	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1C1CCCCCCCCCCC1	1858587674	UFPOHEMFPGGZRB-CAPFRKAQSA-N	403.613	6.267	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1c1cccc(F)c1	1860074767	LLLHALJAQWJNHN-MKMNVTDBSA-N	412.280	5.133	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1	1865656418	JVZPVFYTKOMKCE-LDADJPATSA-N	417.734	5.684	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	1865679212	AYXTYHKWXNVAOV-WQLSENKSSA-N	415.198	5.351	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C[C@H]3CCCC[C@H]3c3ccccc3)cc2)cc1	1866152724	ZNBAKMUVQCGUDG-NLFFAJNJSA-N	400.522	6.364	10	10	HKCE	
Cc1cc(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc(C)c1Cl	1872838150	HEWWWBSFJXQISW-UHFFFAOYSA-N	408.929	5.854	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079006398	YOFGZKSFOFLTRX-KRWDZBQOSA-N	421.335	5.261	10	10	HKCE	
CCCNCc1ccc(N(CC)CCCOCc2ccccc2)cc1Br	2096851718	WZAUZMSRXJEGKC-UHFFFAOYSA-N	419.407	5.382	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129872	WRSFJZCUJHAMFS-UHFFFAOYSA-N	407.670	5.043	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2332148376	PYBOODLTEIBZBK-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
CCN1CCCc2cc(CN(CCCOC)C(=S)Nc3cccc(C)c3)ccc21	3586081	LOJKDCGEDRSNSY-UHFFFAOYSA-N	411.615	5.003	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457857	DPKJBDROVRORMS-DCLXLUIPSA-N	410.583	5.125	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	14475589	SCDKSUFNBJZLCA-QRXMYIDTSA-N	424.544	5.575	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477700	VCAJWODFRMOANX-IEGUWTFLSA-N	402.365	7.245	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21	14546375	WWCZVWADQGGPJH-WZOHSFFVSA-N	402.538	5.394	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549238	WXBFERBYEBBCNO-WHCXKFMVSA-N	405.497	6.606	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21)c1ccccc1	20754823	DYZKMTHQMWCNJX-TZBSWOFLSA-N	412.508	6.319	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755393	UGQFYUCFTBJTQR-RQTOMXEWSA-N	410.517	5.452	10	10	HKCE	
Cc1cccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)c1	33320631	JQYIDIZUHSVVJR-UHFFFAOYSA-N	416.912	5.271	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1	54619824	MLNIYFSFUIRBMM-QHCPKHFHSA-N	413.477	5.022	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccccc1	2293746736	TZJGFJCPUKXSJY-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)C3CCCC3)ccc21	3586076	GMTZBOFPZTZXQK-UHFFFAOYSA-N	407.627	5.909	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21)C1CCCCC1	13640097	LUZBDCKEPRYUPT-XLNZFTOWSA-N	418.537	5.329	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14545661	FKOJUUYCKKKXNB-SXDGJLEOSA-N	411.545	6.533	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548233	FCLITVTXDGRTIV-BNIKKZEQSA-N	412.533	5.902	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14548263	PEINXZXFRYNTRD-OLKYVRLBSA-N	413.517	5.930	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20695392	AVIRPIXTDHCWCP-PLXFJCCSSA-N	415.964	7.178	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1	83302530	FTRBEMHFMKJDBF-CJLVFECKSA-N	419.521	5.260	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226747012	YVJGGHQBXZAUFF-MVERNJQCSA-N	411.501	5.879	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21	226867048	UVBLWEFQRJIXOF-TXBYWVTISA-N	406.323	6.437	10	10	HKCE	
CCCCCCOc1ccc(NN=NCCc2ccc(OCC)c(OCC)c2)cc1	1860486799	FRBZMYWXAJBRCI-UHFFFAOYSA-N	413.562	6.465	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2034789100	WKTPBPWKSYMTPS-KRWDZBQOSA-N	403.408	6.172	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@@H](C)N)c(Br)c1	2156994889	MTPIEBWRGRVNHD-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
O=C(NCCCCC[C@@H](O)c1ccc(N2CCCCC2)cc1)OCc1ccccc1	2236170166	FRUVAKHYLQHROH-XMMPIXPASA-N	410.558	5.197	10	10	HKCE	
COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S	2297349270	DIQAEJLSDUAIGQ-UHFFFAOYSA-N	422.575	5.095	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)C(=Cc2ccsc2)SC1=S	2323783507	XRJRNVCMTMHIPM-UHFFFAOYSA-N	411.614	5.545	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1	2332133218	OWOSZOPGYKXIBY-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
COc1cc(Cl)cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O	4361238	CTMMFJRACJWHSJ-KKSFZXQISA-N	412.898	5.358	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13636016	BWTCIPRBTGXEFJ-PNIUZAESSA-N	411.545	6.533	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2	13640454	GHYVEBGSMRUQHU-KHCICDEESA-N	406.526	5.187	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCOCC1	14464137	GIVWNWMSUYFBKX-UWDQQESISA-N	410.517	5.139	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469584	NBJIZZSOUCMFEN-BPYKYCOYSA-N	422.355	7.399	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477240	LMFBUDVOXAPLTJ-PJSUUKDQSA-N	417.336	5.196	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545007	AHSIWGNLIALKRP-ZLIGTFTASA-N	406.529	6.616	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545088	HEHVSEUZAQVWIC-YVMJFWTCSA-N	421.566	5.071	10	10	HKCE	
CCOc1cc(C)c(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1C(C)C	33313738	GNTQYFJJGSXKJW-UNOMPAQXSA-N	410.445	5.163	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1Nc1cccnc1	40628239	GRCIRSDXYLOHAJ-BYYHNAKLSA-N	412.413	5.682	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1	54620196	XPPSRNNTFDPMEA-DEOSSOPVSA-N	413.521	6.024	10	10	HKCE	
O=C1/C(=C/c2ccccc2F)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	59397766	ZAEIELDHPVCZKU-AUWJEWJLSA-N	417.836	5.904	10	10	HKCE	
CC(C)(C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1Br	384154879	ZDCOGLIDLOVRFL-FQEVSTJZSA-N	417.391	5.133	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588756	YCBOPIZPQSARPS-WBHIYBDPSA-N	401.597	5.501	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1	1860076596	NUOZXALFLASEDZ-CXUHLZMHSA-N	422.344	5.611	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1cccc2ccccc12	1860086214	QPWBAFKUCJZRMK-DEDYPNTBSA-N	405.500	5.017	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665642	FBPRGDXREZUANW-MHWRWJLKSA-N	407.728	6.229	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccc(F)cc1	1865666923	ZQCDCYJPNWBTHD-MOSHPQCFSA-N	406.844	5.015	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CCC)cc1OC	1865669194	GVHHNXXZWVXDFB-OQKWZONESA-N	420.553	5.846	10	10	HKCE	
COC(=O)c1c(NC(=O)[C@H](C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1865991623	PFNRRCNUKOVQEW-MRXNPFEDSA-N	407.535	5.869	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cccc4c(-c5ccccc5)[nH]nc34)cc2)cc1	1866210897	AGFYDZTVDCVYTC-UHFFFAOYSA-N	420.472	5.857	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079007244	PHZLEXLTBZYZBW-SFHVURJKSA-N	405.336	5.375	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)C2CC(OCc3ccccc3)C2)cc1Br	2100212036	XVOWKWSTGPEULN-PBPGXSGUSA-N	417.391	5.304	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100219283	JUPPBXHSIPDLPQ-YADHBBJMSA-N	417.391	5.131	10	10	HKCE	
Cc1ccc(NC(=O)CCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1	2296808158	YXNCCBARFBXSBO-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
CC[C@@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C=CSC4=NC3=O)c2C)cc1	2297316989	RPRUOEQNNOUZFB-CQSZACIVSA-N	404.539	5.385	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	2321609707	GEMGGIYSVGUSRZ-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3cccc(C)c3)SC2=S)cc1	2321698421	MPMSVXSYRISYEV-UHFFFAOYSA-N	411.592	6.360	10	10	HKCE	
CSc1cccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	2321734087	XSBPQQURSDBQHI-UHFFFAOYSA-N	422.940	5.376	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CCC)c1	2332119187	LNDGRWLITCSKIN-UHFFFAOYSA-N	414.908	5.850	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(=O)O)cc1	2332139222	JBKHRDULHCWTMW-UHFFFAOYSA-N	417.292	5.274	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13636443	QIOYETROIBUCOB-ZEVJAHDQSA-N	410.517	5.798	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)NC(C)C)cccc3[C@H]3C=CC[C@H]32)cc1	14461932	NQHIGWZEHINEFD-YZUZCNPQSA-N	403.570	5.498	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@H](c3ccccc3OCc3ccccc3)[C@@H]2C1	14476286	VTABQKHHIQUBMM-IRYADYCUSA-N	403.525	7.245	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678897	UINANLCAMGVKMV-PLXFJCCSSA-N	413.517	5.980	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O	33330530	FJVKYPWTOXCWME-BLGUCIKASA-N	422.575	5.090	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccc(F)c(Br)c1	708179156	SLMREKIMLBXJMM-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1	1860085084	LYBHSGXTPOTBAD-SFQUDFHCSA-N	421.509	6.409	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	1865672394	AJGCPRVXDCSXAH-SSZFMOIBSA-N	421.850	5.535	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	2297300497	JFTHZJOTTDZLJE-UHFFFAOYSA-N	417.852	5.391	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2321569916	QFCMFRCQDMJBSK-UHFFFAOYSA-N	404.900	5.216	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cccc(C)c2)cc1	2332141215	NNIDOJBPOSBPAO-UHFFFAOYSA-N	402.881	5.492	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1	13635684	DELFQMFYMHQQHD-JAIQZWGSSA-N	418.836	5.077	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14462795	FUVXEWZPNGLINM-FBLLAGFSSA-N	422.594	5.421	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477749	RUGPGDAYVXBFRS-PNLZDCPESA-N	404.337	6.235	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2)c1ccccc1	14480380	AHXUKPQVCNLJMQ-XFAFFCHDSA-N	408.545	6.488	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14551812	OAXLBWGWDIKMEN-HFMPRLQTSA-N	412.558	6.487	10	10	HKCE	
Cc1cc2c(c(OC(C)C)c1Br)C(=O)c1c(OC(C)C)cccc1C2=O	90372283	JUDSFYJDZITMGT-UHFFFAOYSA-N	417.299	5.107	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2Cl)N3)CC1	226745512	UTGCFBIVQZOIFW-IMWIBFENSA-N	406.957	6.039	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656762	QMKXMVFLCIWGFJ-PXLXIMEGSA-N	402.881	5.492	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865672283	UEKUUZZLNMMXJE-GHRIWEEISA-N	412.917	5.722	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)c1	1872858371	HLWPFIVFZNSORR-UHFFFAOYSA-N	422.528	6.251	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1c(Cl)cccc1Cl	1891385043	QKTSPHDXEKVNQX-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3coc4cc(C)cc(C)c4c3=O)SC2=S)c(C)c1	2297562866	MNYSAROFFWOLAZ-UHFFFAOYSA-N	421.543	5.432	10	10	HKCE	
Cc1ccc(C(=O)N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2297578837	RUGCJBFYZYNVOG-UHFFFAOYSA-N	408.331	5.343	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132428	JPDGZWKGESTMRI-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
COc1ccc([C@@H](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)NC(C)=O)cc1	11328324	CEMSLSIBMDIKAI-SNSKHAEWSA-N	416.481	5.317	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457791	UBNBMMKKGYXJFR-BPYKYCOYSA-N	424.610	5.469	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14458253	IXBLDLZFOBVUGO-HWBMXIPRSA-N	416.546	5.622	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	14471335	HLZSALSDZRWUBC-GSHUGGBRSA-N	423.900	5.311	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccccc4)cc3)SC2=S)cc1	34836781	VPCCMBDCMUWROO-RCCKNPSSSA-N	403.528	6.193	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	39194302	IKPAXVIMLRSXRX-QHCPKHFHSA-N	412.489	5.709	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)SC2=S)cc1	59397052	AOASEHMTQRNWTN-LCYFTJDESA-N	410.383	5.479	10	10	HKCE	
CCOc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	83301969	NTQSFXLRYMEKEI-GHRIWEEISA-N	403.390	5.235	10	10	HKCE	
CCOc1ccc(/C=C2\N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1	100318357	CTOFYEJSXHHBNV-JWGURIENSA-N	416.452	5.068	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226700136	XFTQZFOZWBOLQU-IECBHUPTSA-N	423.988	5.238	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226715539	ZASZXOAQPJTUQP-WOIUINJBSA-N	416.974	5.197	10	10	HKCE	
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	245295457	FKOOCCZQGUDXHM-HSMVNMDESA-N	421.678	5.543	10	10	HKCE	
CC1(C)C[C@H](NCc2cc(Cl)cc(Cl)c2O)CCN(C(=O)OC(C)(C)C)C1	700020852	BGMDAXASEZAJPE-OAHLLOKOSA-N	417.377	5.214	10	10	HKCE	
COc1ccc(Br)cc1NCc1cc(Cl)cc(Br)c1O	708110564	DUADSCQPCHJESF-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1Br	1860086286	VVXCAXKEKHWLKC-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)/C(=C/c2cccc(OCc3ccccc3)c2)C1=O	1865679233	BTFACMADVNBMIH-UQQQWYQISA-N	410.517	5.552	10	10	HKCE	
CCCCCCN1C(=O)C(NCCCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873164453	CDYUDIZPACCPQZ-UHFFFAOYSA-N	421.585	5.144	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(C)C2CC(OCc3ccccc3)C2)c(Br)c1	2100209608	DZIQJRKYNPEJSZ-DZIBYMRMSA-N	417.391	5.304	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OCC)c1	2293497258	BRCJVWKXCBHUPB-HNNXBMFYSA-N	413.564	5.446	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1	2313501643	HSEMDOJXGWBDJH-UHFFFAOYSA-N	421.269	5.423	10	10	HKCE	
CCN(C(=O)C=Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12)c1cccc(C)c1	2320765005	OXATZSVEGPNZEB-UHFFFAOYSA-N	409.533	5.993	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1OC	6721616	NOPNGIPQCQNRQM-CPJSRVTESA-N	416.477	5.042	10	10	HKCE	
Oc1c(Br)cc(Br)cc1/N=N/c1ccc(Cl)cc1Cl	13980726	ZVIBZYZYBYTIIE-ISLYRVAYSA-N	424.907	6.639	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O	14457365	ONFSVVBVSMAHMV-XXAUWVGASA-N	413.517	5.849	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465590	WYHWFVWWWHFFGK-QYWGDWMGSA-N	401.337	6.559	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545008	AHSIWGNLIALKRP-QSJFZTKYSA-N	406.529	6.616	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549163	JYWMOCDGJLOWRZ-LZCXECNNSA-N	408.457	6.433	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1	20763832	KRHHVDRHIPGCBO-OXJNMPFZSA-N	413.340	5.439	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	58883599	LBWDHSSKHHJKBE-CJLVFECKSA-N	419.521	5.260	10	10	HKCE	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1C	96585200	RCCLCIMZOLGWHT-MTJSOVHGSA-N	419.912	5.462	10	10	HKCE	
CCOc1ccc(CCNC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1OCC	244219947	VZGNCJKTHSPWKD-UHFFFAOYSA-N	419.525	5.157	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	1860087205	HNSGEUBUDRSFOE-YBFXNURJSA-N	418.534	5.212	10	10	HKCE	
CCOc1c(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cccc1OC	1865670297	SHPCOYAQXWJJOC-XLNRJJMWSA-N	412.489	5.237	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865677461	KDZMZTHYFIUOTF-WQLSENKSSA-N	415.198	5.043	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)/C=C/c3ccc(-c4cccnc4)cc3)cc2)cc1	1866178070	BNFXNZZWDVWEDD-CXUHLZMHSA-N	405.501	5.574	10	10	HKCE	
CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	1874705376	JHWFKNPDZHDVAH-QGZVFWFLSA-N	420.509	5.310	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2231472742	XATAFYBCJUZSTB-SFHVURJKSA-N	415.419	6.286	10	10	HKCE	
CC[C@@H](Nc1cc(Br)cnc1C)c1cc(Br)ccc1O	2279937705	WQNFAHAUANAFJJ-CYBMUJFWSA-N	400.114	5.184	10	10	HKCE	
O=C(O)c1ccccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321709023	HVYDMHYTFKILBU-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC	2323842539	CEXNWBNKQJWOEP-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCCCc3ccccc3)cc2)SC1=S	2331589434	DPKZQUXUCVTWLT-UHFFFAOYSA-N	411.592	5.555	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2CCC)cc1	2332116771	YBXTVHPETKODAY-UHFFFAOYSA-N	410.945	6.495	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC	2332124224	FZCVCVWXGUANPT-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(OC)c(OC)cc1OC	2332141223	NSSXWVCDHHBARI-UHFFFAOYSA-N	416.477	5.062	10	10	HKCE	
CCCCCC[C@@]1(C)N=C(c2ccc(Cl)cc2)C[C@H](c2cccc(OC)c2O)N1	4729921	UADYKNRNHNUSLE-QPPBQGQZSA-N	414.977	6.265	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476699	HEBSKTPVURPFOF-ZYLNGJIFSA-N	410.517	5.452	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	20750507	SULXPSXJUCVIIB-MCFFVMPBSA-N	413.348	6.056	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1	40859248	AFHXPJQQZWYZAE-OQLLNIDSSA-N	424.330	5.186	10	10	HKCE	
COc1cccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)c1	53363859	VMTZICDTVHKJJU-XUZZJYLKSA-N	422.912	5.285	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	59377265	LZLSKGBRVBPCLW-SXGWCWSVSA-N	409.363	5.573	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1OC	226868102	VPVGPFHQLWJVOW-ZDQHKECQSA-N	407.510	5.088	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Cl)c1O	1865674918	FRUKBASXMRCUST-UNOMPAQXSA-N	418.880	5.197	10	10	HKCE	
COC(=O)c1c(NC(=O)c2nccc3ccccc23)sc(C)c1-c1ccc(C)cc1	1865942436	PVBLHGMDRJCTKE-UHFFFAOYSA-N	416.502	5.619	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CCCCC2)cc1	1866007991	BIVMIQNGNJILDF-NRFANRHFSA-N	420.384	5.016	10	10	HKCE	
Nc1cccc(Br)c1N[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1	2053207306	ZXRXUMBGKJHIGL-KRWDZBQOSA-N	400.364	5.031	10	10	HKCE	
CN(C)c1ccc(C=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1	2294850874	QXHPWHWYTHANQF-UHFFFAOYSA-N	416.568	7.359	10	10	HKCE	
CN(c1ccccc1)c1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc1	2297350257	CVQBARYWUHHSGO-UHFFFAOYSA-N	408.592	5.988	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	2318757059	VLGJBQRSCIOVFQ-UHFFFAOYSA-N	402.544	6.144	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	2332127979	CNRCRQKENLLOKO-UHFFFAOYSA-N	421.781	5.305	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(F)c(F)c1)CCN2Cc1cccc(C)n1	12247722	WAVWDWPXAWZSGX-QFIPXVFZSA-N	412.505	5.921	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(O)c1	13640281	OBYUCHCIGLIUJL-BCQCSXDESA-N	413.517	5.936	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457885	OQNWPNPHUZADPE-MBEZDYHHSA-N	422.572	6.368	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467582	LDOXXFZBXDXKGC-BBEGDGIKSA-N	403.309	5.227	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479647	ATJMDHQZXPSCTB-LYXWCMDISA-N	407.510	5.088	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)c1	14550407	RHRNWTZKVCXPQX-PPJWLVRDSA-N	424.544	6.391	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCCC1	14550878	QIJQZQSOSNPUBK-IPJJNNNSSA-N	403.482	5.047	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2sccc2C)N3)c1	14553533	FIPGFEXYBLCIGW-TXTKFYIRSA-N	400.547	6.444	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703177	NOIHVSWYEMCGSL-XLGIIRLISA-N	412.489	6.309	10	10	HKCE	
CCCN(CC)C(=O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1	23331560	GHYWZKQVYDMFPJ-UHFFFAOYSA-N	424.972	5.997	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)SC1=S	1858591126	YSYIVGLEPBFGKI-TWQQJCIXSA-N	407.601	5.654	10	10	HKCE	
CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1	1860709090	KCHZTWSAUCAYHV-UHFFFAOYSA-N	416.569	5.395	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865664786	ZPMJKPGWPWXBQS-PTNGSMBKSA-N	418.777	5.981	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CCC)cc1OC	1865669643	STSMWCQQSJRVHT-KNTRCKAVSA-N	407.514	5.246	10	10	HKCE	
CC(C)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870853869	SPFQWDMVUIACOF-UHFFFAOYSA-N	419.569	5.895	10	10	HKCE	
CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)CC)C1=O	1873168014	GGQKDWIRDQVGNA-SFHVURJKSA-N	421.585	5.142	10	10	HKCE	
Oc1c(Cn2nc(C3CC3)c(C3CCC3)c2Br)cccc1C(F)(F)F	2079808116	KUUHHXIMTCURKQ-UHFFFAOYSA-N	415.253	5.563	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(F)cc2)cc1	2313683728	XJURDJSUHKMYPM-UHFFFAOYSA-N	419.431	5.110	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	2332099784	DTCLUEQWXSGHGD-UHFFFAOYSA-N	414.936	6.472	10	10	HKCE	
O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccc(F)cc1	3003075	SGPFFLYPDUJBJM-WOJGMQOQSA-N	415.898	6.145	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc2ccccc2oc1=O	3194866	WHUJYSKUAZKYSF-VWLOTQADSA-N	421.452	5.171	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457808	ZWFKUSRGSXVWBJ-ROKPMTFOSA-N	424.610	5.515	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469892	ZRNHDBLFWGXEPB-ROKPMTFOSA-N	422.355	7.399	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc4ccccc4c2)N3)CC1	14475531	KHUFXWSYIMYKJK-SKVJQKLOSA-N	422.572	6.538	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546992	ZGZJVHJPEBHQBX-MFLXSWDHSA-N	417.336	5.196	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20699858	CBJWBGGBWGQYFC-PLXFJCCSSA-N	415.964	7.178	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1	59487852	LSLLEGPWYVWHIX-RCCKNPSSSA-N	416.550	5.462	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374346	VJVBPOWBQPHFRH-UZINWLIJSA-N	422.484	6.736	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226716502	FVIZUQMJBXIGFP-ZFGGDYGUSA-N	408.973	6.429	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	226854846	YJDXGKPRCHBVTD-FHAGJXEFSA-N	404.554	5.784	10	10	HKCE	
COc1ccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)cc1	1857850513	PULQNEUJFSTNMB-UHFFFAOYSA-N	418.587	6.501	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2C)cc1	1873835794	QKQFVXZDHOLCHE-UHFFFAOYSA-N	408.545	6.245	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(-c2cccc(F)c2)c1	1891682921	FADUCLKSBQAQMP-DFBJGRDBSA-N	400.497	5.411	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)cc1Br	1915365008	QWCFWWOLBAJTSX-HNNXBMFYSA-N	401.373	5.737	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915445829	FHJLEGPGTNJCLM-IBGZPJMESA-N	417.391	5.133	10	10	HKCE	
Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025416	PKJHIBZXIJAPFA-KRWDZBQOSA-N	405.336	5.077	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2095950498	CJGRZBANKOCPER-UHFFFAOYSA-N	415.419	6.001	10	10	HKCE	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2294082139	HFLWIOOGECWVSL-ZDUSSCGKSA-N	416.304	5.427	10	10	HKCE	
CN(C)c1ccc(C=CC2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1	2296374320	YJXSVVJXMDQNKF-MHZLTWQESA-N	410.565	5.839	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc1	2318684308	YWUQZQQBGNGCDV-UHFFFAOYSA-N	401.984	6.039	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1OCC	2332114008	IQHVSHHQUBDGKA-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
Cc1ccc(CNc2c(Br)ccc(Cl)c2F)c(O)c1Br	2381126139	NYWMHHOAMXHJBI-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	4078353	YHWYGILACMCKTA-GCKMJXCFSA-N	413.348	6.056	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460728	XYIFMKIQLRZNLB-DPLHUUCSSA-N	400.909	6.419	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480093	JCVDBQQSDZWPIZ-VXJMNVAESA-N	408.545	6.313	10	10	HKCE	
Cc1cc(Nc2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])no1	40582177	DGCYRCKWEBNARF-OCEACIFDSA-N	416.401	5.584	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1	54620169	MEWJRKYHZNNJKB-XMMPIXPASA-N	416.496	6.460	10	10	HKCE	
C/C(NCc1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	135980039	GUUXEEOCRRCDCP-OQKWZONESA-N	424.529	5.111	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	251153051	IGVXOLCPDJCEBN-LKTOMVFGSA-N	408.545	6.313	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2cn(C)c3ccc(OC)cc23)SC1=S	1860073394	ACRQGLLHVSURPJ-RGVLZGJSSA-N	408.548	5.155	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1	1860074887	XLFGFMYZXJJNHM-CPNJWEJPSA-N	400.544	5.073	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(SC)cc2)SC1=S	1860083882	BDRABBPISKBNOD-RQZCQDPDSA-N	421.996	5.785	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OCC	1865665337	NVAXMYQKBMIRKW-HEHNFIMWSA-N	406.526	5.851	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	1865669376	KPROZDVBFADGSM-RGEXLXHISA-N	410.395	5.587	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1914875093	GRQZOZXYQOQRRK-HNNXBMFYSA-N	402.357	5.771	10	10	HKCE	
CN(Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2054256624	ZSOWDRMUNUOOQI-UHFFFAOYSA-N	405.336	5.110	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(Br)c1	2113612965	MSOAHGUUDTXOJF-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S	2314769910	WVPBUNBHXDEGDH-HXUWFJFHSA-N	423.559	5.139	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccccc3OC(C)C)C2=O)c1	2318756684	RDEHUSIZTVWXAN-UHFFFAOYSA-N	413.564	5.668	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	2332119322	AVZMTNMEAMXJFC-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
Oc1c([C@@H](Nc2nccs2)c2ccc(Br)cc2)ccc2ccccc12	3009390	NJFOBPIYSKWYCJ-SFHVURJKSA-N	411.324	5.966	10	10	HKCE	
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(/N=N/c2ccccc2)cc1	14862385	SAEUJBQJSOEEJN-ZQHSETAFSA-N	411.465	5.300	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccccc1C(F)(F)F)CCN2Cc1ncc[nH]1	14986656	FWLUSUZJWSRMTF-SFHVURJKSA-N	419.472	5.681	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)c(Cl)c3)c3ccncc3)c(O)c2n1	54621855	HNJOEYGAKWZXAB-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2)c1ccccc1	226659994	IGHAIAVPNKJPDE-ONBPZOJHSA-N	408.545	6.488	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)s1	226685217	QCBFEJJPBXXSJE-YZIHRLCOSA-N	414.574	6.454	10	10	HKCE	
COc1ccc([C@H](C)Nc2c(Br)cccc2Br)c(O)c1	232119304	BEHVRDVROCHFQB-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CC(C)(C)C1CCC(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1	586481325	POQMFHXMMNVOJS-UHFFFAOYSA-N	405.494	5.615	10	10	HKCE	
COc1cc(Cl)cc(CNc2cc(Br)cc(Br)c2)c1O	690344161	ADLHJJCSZNOZPB-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1	1086849254	PWEOHABMUQOQND-IBGZPJMESA-N	404.495	5.407	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H](C)CC)sc(C)c1-c1ccc(Br)cc1	1865961391	AWJNWRBRKDOCFY-NSHDSACASA-N	424.360	5.647	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCCCOc2ccccc2)cc1	2293531490	NMJPYUHDSJRLOM-UHFFFAOYSA-N	412.489	5.341	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(F)cc1	2313503173	XDRJZZAZABMZBO-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1	2321669692	JDGKXIJYWXNTSC-UHFFFAOYSA-N	403.956	5.843	10	10	HKCE	
CC(C)c1ccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	2321692952	WJTVRCRNIPDMLL-UHFFFAOYSA-N	408.592	5.816	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(C(F)(F)F)cc1	2321753955	LLDYYTJJZKBEQF-UHFFFAOYSA-N	416.427	5.081	10	10	HKCE	
O=C1C(=Cc2ccccc2F)C(c2ccccc2)=NN1c1ccc(Br)cc1	2332096205	ZGIYFQWDZARWEF-UHFFFAOYSA-N	421.269	5.423	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccccc2F)cc1	2332096466	KRSBCGVGOFGWPI-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1OC	2332130612	HNVVSVNYYAETSP-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccccc3[N+](=O)[O-])C2=O)c1	2332144707	GKEQOZGHKYHOOL-UHFFFAOYSA-N	411.461	5.042	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	13641383	WJZMJLCLFDRZPH-RNHFSVANSA-N	423.553	5.964	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467143	GIKXUJZKTOPLLS-BXTJHSDWSA-N	418.320	6.092	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477862	ZUALTXITNSUANZ-XCGNWRKASA-N	401.337	6.559	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702431	AJYVDNBOQVBNSS-SXGZJXTBSA-N	414.299	5.210	10	10	HKCE	
CN1/C(=C/C=C2\SC(=S)N(Cc3ccccc3)C2=O)C(C)(C)c2ccccc21	33556787	PQJULCZJVVGKEA-LRVMPXQBSA-N	406.576	5.242	10	10	HKCE	
COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53363868	FHYDLGVQWMMFAM-NZQKXSOJSA-N	410.876	5.416	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccc(C)cc2)cc1	59232530	TYCRQJKRLIRBPP-JCMHNJIXSA-N	402.881	5.492	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C12CCCC2	401670764	QSPUWBMNYWPKHN-MRXNPFEDSA-N	415.361	5.111	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cc1OCC	1860087090	YVXKJMROINXVJF-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
CCCOc1ccccc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC	1865742007	ILVWEUOJDIFQLU-UHFFFAOYSA-N	423.534	5.941	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079848615	KMXRLOUKWOIQBM-GOSISDBHSA-N	422.953	5.360	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080005339	KAXKJZUDBPYTIG-GOSISDBHSA-N	404.938	5.333	10	10	HKCE	
CN(Cc1ccc(F)c(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117997094	UESNBSPSTPJKBU-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CCOc1cc(C)c(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1C(C)C	2297361589	QKQTXVQJSFFBDF-UHFFFAOYSA-N	401.553	5.512	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)cc1	2318755907	BIHORGFOIFODHC-UHFFFAOYSA-N	418.381	5.726	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1C	2321596263	GSHUPQDXTSPYAZ-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1OC	2321689098	CHVJNQWQMCKDFD-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(F)cccc1Cl	2332104379	ZMYJNTKKYDLCHC-UHFFFAOYSA-N	407.670	5.438	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@H](C)N)cc2Br)c1Br	2369645078	QXJVRQXGZASESI-VIFPVBQESA-N	418.198	5.238	10	10	HKCE	
Cc1ccc(CNc2cc(Cl)c(Br)cc2F)c(O)c1Br	2380817937	YUICSRHMLZLNHP-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
O=C(NCCC1=CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782043	GKJZSVIURVZTMC-UHFFFAOYSA-N	424.588	6.643	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458552	FGCZVXBUIDVTPJ-WRALFONMSA-N	400.566	6.226	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463479	IYBANCMXTKUADX-NLJOTIRTSA-N	414.593	6.653	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465154	SMAUWRKQINNDNZ-HFMPRLQTSA-N	414.936	6.097	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14466449	UNVLSDIXVDXOPY-IPVFLDMMSA-N	417.936	6.624	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475252	PXGUXZYCEVQNBH-XFAFFCHDSA-N	422.572	6.729	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477670	XLAOLEFTBNDPDF-MDOVXXIYSA-N	401.337	5.958	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477772	GBDCQSHPKKZEJO-QYWGDWMGSA-N	404.337	6.235	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545578	CTJIDYFZTJSCEX-RLSLOFABSA-N	416.565	5.928	10	10	HKCE	
Fc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14549905	SYYSEHFWCVOANU-WRALFONMSA-N	401.481	6.110	10	10	HKCE	
CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N12	49589743	PVDWRNZWQXGLSZ-GMFWLFBISA-N	423.925	5.394	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc(SC)cc1	100276065	HFPZIAYGDICLMZ-KGENOOAVSA-N	407.535	5.409	10	10	HKCE	
CCOc1ccc(C2=NN(/C(C)=C\C(C)(C)O)[C@H](c3ccccc3O)C2)cc1Cl	101352525	JGTCXKHOPWHMJT-KYFVDPIZSA-N	414.933	5.270	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S	210500232	GNGKKNIYPYVGQC-SAPNQHFASA-N	409.548	5.232	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226874463	JCVDBQQSDZWPIZ-DCJDNPIWSA-N	408.545	6.313	10	10	HKCE	
O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCC[C@@H]1c1cccs1	247754562	YROKSDCLYPXRQS-HXUWFJFHSA-N	424.953	5.408	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	251384728	UKWZKPUKLYSSHP-BXAZGIKQSA-N	417.597	5.888	10	10	HKCE	
Cc1ccc(Cc2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)cc1	1857850576	STHKPYVPIXTZLF-UHFFFAOYSA-N	416.615	6.725	10	10	HKCE	
Cc1ccc2ccccc2c1C(=O)Nc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1	1859077350	QAAUNXAAJIVOJZ-UHFFFAOYSA-N	423.516	5.719	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)cc1OCC	1860073613	YBOGNELNZFZTPZ-XSFVSMFZSA-N	413.564	5.452	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])c(C)c3)C2=O)c1	1860087707	OWNBYRJPSLODLS-LDADJPATSA-N	414.508	5.098	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccccc2Cl)cc1	1865664458	DNDYSBWNXVDTEJ-NBVRZTHBSA-N	423.299	5.837	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OC	1865670993	DDSRJCQANOGQPP-PXLXIMEGSA-N	420.553	5.683	10	10	HKCE	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)cc1Cl	1891287526	KMSJOMGIQMQGAK-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1914879875	YZOKSEILSMRVHE-OAHLLOKOSA-N	402.357	5.771	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3(C)CC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079022268	LRLYWPWYLRFFFU-KRWDZBQOSA-N	405.336	5.159	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2095890580	QQGWXLKBZRSRRS-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100223367	PXXVPBQDENGUIP-GQWLDOHISA-N	417.391	5.289	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)c1	2313510493	LRJYKGLBTZQWMJ-UHFFFAOYSA-N	420.468	5.276	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2ccccc2Cl)cc1	2332104732	LWGOSJAXBDDWOP-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1OC	2332130647	LIENWRWJHSPUMC-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1/N=N/c1ccc(Oc2ccccc2)cc1	6597881	KGDMHHMUPCKLNK-QURGRASLSA-N	403.663	7.016	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(O)c1	13640219	UEMNUECSCFOROG-ISJBWFOZSA-N	415.489	5.382	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470482	IQIPZKLNRWZTDU-OASJLCFRSA-N	424.544	5.842	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14480396	JMUBKEXAWIKJQM-QONNDPFASA-N	408.545	6.393	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	14547051	SULXPSXJUCVIIB-WCJKSRRJSA-N	413.348	6.056	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547091	XNLKXTITCYEKMD-VTJXTGGHSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@H]32)s1	20689450	RGCLBNXLBLDDGH-PIBDYAPNSA-N	414.574	6.752	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20749595	YHEIMPLLSGFHEM-VHFRWLAGSA-N	403.566	6.871	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]23)c1	58929452	UTSYBTNUMCOWEQ-IMWIBFENSA-N	402.881	6.742	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226877497	WOTIECYRRABEPG-YPCDYVTLSA-N	413.517	6.242	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Br)cc1	1084200572	CLZHNAXVCGHTLB-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
CCc1cc(Br)c(O)c(N=Nc2ccc(Br)c(Cl)c2)c1	1084306569	PUMWZWXBNUCQMB-UHFFFAOYSA-N	418.516	6.548	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cccc(Cl)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910931	OZHGMOIBGSSXJQ-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)c1	1865665878	QCHSQAUGKOMGDR-GHXNOFRVSA-N	415.198	5.356	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668789	PLJDOILIVCVHGE-NLRVBDNBSA-N	424.544	6.156	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(OC)c(O)c(OC)c1	1865678173	XVACRXUFIGSUAV-CPNJWEJPSA-N	416.477	5.149	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](CC)c2ccc(C)cc2O)c1Br	2079003547	BRKDZNFPRSJWIT-HNNXBMFYSA-N	421.335	5.103	10	10	HKCE	
CC(C)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(Br)c1C1(C)CC1	2079701121	BZBWIAKBXHCKPQ-UHFFFAOYSA-N	417.269	5.593	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079716418	AZIQLGHQPAXXAP-UHFFFAOYSA-N	403.242	5.419	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	2095944320	DXYTXVWGQZXTRR-GOSISDBHSA-N	417.435	6.388	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NCCCCN=[N+]=[N-])cc1Cl	2124510510	XBEZGJMSZFZZBY-UHFFFAOYSA-N	402.282	5.161	10	10	HKCE	
CC[C@H](O)CN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)c(Br)c1	2231455112	SCPRTHQJDMWKBL-UWJYYQICSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1C1CCCCCCCCCCC1	2318683821	IKCLDTHNEMYOJG-UHFFFAOYSA-N	423.594	6.839	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2323844176	FWGNTASWJYAQFY-UHFFFAOYSA-N	424.330	5.093	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116464	QMTYJYWLTDMRLR-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
Cc1n[nH]c(C)c1Sc1ccccc1NCc1cc(Br)ccc1O	6918948	FACQGYXAQDFKOQ-UHFFFAOYSA-N	404.333	5.258	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@@H]1CC=C[C@H]21)C1CCCCC1	13640096	LUZBDCKEPRYUPT-GLDPYIMESA-N	418.537	5.329	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14475346	AEULOSWULRQMDK-XFAFFCHDSA-N	422.572	6.683	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477286	VHGVTAPGPHFSSO-NXHTTZLHSA-N	415.364	6.805	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544417	WTCQEXFJEONXNI-AJFLCOCNSA-N	415.533	6.090	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(NC(=O)C(C)C)cc2[C@@H]2C=CC[C@@H]21	14544470	YQMCBZDYJQJYFP-YZIHRLCOSA-N	412.533	6.269	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21	14545760	LXZOGCBXZHXHNK-UZINWLIJSA-N	416.565	5.784	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546559	SBNYZTMDXKDWIM-LLJLJFOGSA-N	408.328	7.612	10	10	HKCE	
CC[C@H](Nc1cccc(Br)c1F)c1cc(Br)ccc1O	689234977	QUQQYCUPNGHUIT-LBPRGKRZSA-N	403.089	5.620	10	10	HKCE	
C[C@@H](NCc1c(O)cccc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1	706809575	FPNQOLFTTFYKOV-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1	1891915210	SYNVGZZOQLKZOY-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S	2293467632	UCBGDPKECSAXNF-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
COc1cccc(C2=NC(=Cc3ccccc3OC)C(=O)N2c2cc(C)cc(C)c2)c1	2297300519	NISVZICVDYEBAT-UHFFFAOYSA-N	412.489	5.155	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	2297500126	LGCABZHJFQIZDK-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	2318753403	UGLRNGPLOXVWPA-UHFFFAOYSA-N	402.544	5.387	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1Cl	2321669703	MOIPKKKZHBDDAE-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321687294	CBZKCIULRRJOQH-UHFFFAOYSA-N	424.374	6.188	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)cc1	2321742695	KRMJSECQHQKYQB-UHFFFAOYSA-N	410.564	5.348	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc1)CC[C@H](C)C2	6877982	SSVHYWMEZXNGEW-PCCBWWKXSA-N	421.629	5.008	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])s1	10910490	AEGBGASKOVBVAZ-NRFANRHFSA-N	404.447	5.035	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458491	SRQJNBHRBAYZBJ-ZEVJAHDQSA-N	408.545	5.794	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461300	MORJUVHNJNZASR-VTJXTGGHSA-N	413.315	5.330	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461436	BFLYBHYHGLJMCE-PNIUZAESSA-N	410.561	7.152	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549439	BUSPBABKZPLKME-YTZADYMYSA-N	419.568	7.997	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552057	ZSQOBVKHEWAYEM-YZUZCNPQSA-N	418.606	6.251	10	10	HKCE	
Oc1c([C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccco2)ccc2cccnc12	54620550	PYPDEJUTUARBFC-IBGZPJMESA-N	418.802	6.407	10	10	HKCE	
CC(C)[C@H](C(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	100848820	UWINOIRLQDHVIM-PSCYQSDVSA-N	402.454	6.389	10	10	HKCE	
COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1OCc1ccccc1	102041339	NXZSMLUGKGQRHF-HZHRSRAPSA-N	412.489	5.076	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226854259	XMVQNDKFYYASCP-MCFFVMPBSA-N	404.337	6.235	10	10	HKCE	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(Br)ccc1O	379627942	NEEDZHKPJGTBGX-BSIFCXSSSA-N	417.391	5.249	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1	526316571	CLSSQMKHOBTHSF-OAQYLSRUSA-N	421.518	5.514	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1	1858587426	AWTHEXAWRYXDMS-CPNJWEJPSA-N	400.544	5.073	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OCC	1858589978	SDHISBGVBDAQCR-OXHJYCSFSA-N	419.612	5.654	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	1860085222	WRAYGSBQYZRWTL-OVCLIPMQSA-N	422.940	5.376	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	1860087350	RGJAJJJDZZXIOW-GZTJUZNOSA-N	418.381	5.726	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)c1	1865670379	XDWFTOIGQDIYKN-KQWNVCNZSA-N	400.453	5.055	10	10	HKCE	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c(Cl)cc1Cl	1891915480	FMRWHAAWIWVAFY-UHFFFAOYSA-N	413.351	5.535	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C=O)c2Br)C(C)(C)C)cc1C	2080006806	RYJHICODTNTVBK-GOSISDBHSA-N	421.379	5.714	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1C(F)(F)F	2296063117	BMIZOEOJMIEVFZ-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321594034	UHOYQOHTEMNKDJ-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)C(=Cc4ccccc4F)SC3=S)cc2)CC1	2321683320	UJWBINYGXOXOJD-UHFFFAOYSA-N	412.555	5.468	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	2323681304	NINZZJBSLSBCKF-TXJVSEOTSA-N	414.640	5.559	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)cc1OC	2332140412	DECATRGODNCEMK-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-]	5754043	VEQQNOAWWMKFFI-DEOSSOPVSA-N	412.445	5.281	10	10	HKCE	
Oc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(O)c1	13640302	QDJBRALZXBKBNQ-RLSLOFABSA-N	415.489	5.382	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469814	ABOCIAODVGAOTG-DCLXLUIPSA-N	422.355	7.399	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471827	PEQKRNKVNCPNBB-SXWKCWPCSA-N	417.509	5.484	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(C(=O)NC(C)C)cccc2[C@H]2C=CC[C@H]21	14544308	XJSNSIUDXATBAQ-KCPMXOJXSA-N	412.533	5.813	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCCc4ccccc4)c3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545048	ASVDJZYSISLQTG-QSJFZTKYSA-N	420.556	7.006	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(NCc4ccccc4)cc(NCc4ccco4)c1c23	20322384	LAHDPHQERMFSFP-UHFFFAOYSA-N	421.456	5.856	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	33788088	OVGKXNVIPIRMAK-WQRHYEAKSA-N	420.962	5.731	10	10	HKCE	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1C	59336690	NORBSKBSIBUWES-IWIPYMOSSA-N	420.468	5.276	10	10	HKCE	
Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)o1	59337049	BMNKXWYHWODMEB-UHFFFAOYSA-N	408.837	5.265	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1	103409248	XXAQTSASRFQEPH-FQEVSTJZSA-N	407.568	5.080	10	10	HKCE	
CC[C@@H](NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	311975195	LQKAWUHGKXWDRM-IFMALSPDSA-N	417.391	5.108	10	10	HKCE	
CN(Cc1ccccc1)C1(CNCc2cc(Cl)cc(Cl)c2O)CCCCC1	714222095	XVVJTENDEZTFFG-UHFFFAOYSA-N	407.385	5.624	10	10	HKCE	
CCCCN(Cc1nc(O)c2c(-c3ccco3)csc2n1)Cc1ccccc1O	801595759	RZNUYIWKOJFAIS-UHFFFAOYSA-N	409.511	5.165	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)SC1=S	1860085277	AOGAIYZPONAJAM-RGVLZGJSSA-N	424.547	5.371	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)c1	1872829581	BWUFJTFYGANRQH-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNCC(C)C)c(Br)c1	2095871505	DWYYIKPZEMDMQG-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100209852	HFYXUNHVIJVENQ-VXKWHMMOSA-N	417.391	5.131	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@H](C)O)cc1Br	2157016107	UZXBPRAEAWGXMP-JTQLQIEISA-N	419.182	5.271	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1	2294259152	MYBWTJZBJQOPIE-UHFFFAOYSA-N	407.809	5.798	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1	2296412446	XXYFMFFFHARMHY-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
CCCCc1ccc(NCN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1	2297321072	AZBZYJKVZOCXPJ-UHFFFAOYSA-N	409.555	5.201	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1ccco1	2297360728	SWPVUAYSHKITRJ-UHFFFAOYSA-N	401.896	5.594	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640973	HQHTTXMHRNJVAH-KSMMKXTCSA-N	416.315	5.301	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475431	IHAOVWDTCDBECA-ZKKGZRQESA-N	417.552	7.288	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477882	OKCBUJZRRGWHHS-WHSLLNHNSA-N	401.337	5.960	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543372	CIHIGOPUGCRNIJ-HWBMXIPRSA-N	416.565	5.784	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546629	MSODWZFZLZCKIP-PDSXEYIOSA-N	402.321	6.387	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691658	IBUTXXYOYQUXFO-VOKYQHOCSA-N	423.600	7.450	10	10	HKCE	
CCOc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O	33317810	MNOVNTRKIMFAAT-BENRWUELSA-N	421.305	5.064	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(F)(F)F)c3ccncc3)c(O)c2n1	54618867	FFTGKHKDQQYQOV-FQEVSTJZSA-N	409.411	5.864	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)cc3Cl)c3ccccn3)c(O)c2n1	54621898	NIEWGHZGJFTXIE-OAQYLSRUSA-N	410.304	6.152	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Br)cc1Br)CC(C)(C)C[C@H]2N	110038563	XFAJWCOOLXXROQ-CQSZACIVSA-N	412.169	5.283	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@@H]21	226871034	QIZZVVIVANRXPZ-SLSDLSHTSA-N	422.594	5.242	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226892207	XNLKXTITCYEKMD-PZPWOCDFSA-N	401.337	5.960	10	10	HKCE	
CC(NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F	254447727	HIEXCCQKJCEADK-UHFFFAOYSA-N	404.314	6.107	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(CCC3=CCCCC3)C2=O)cc1OC	1858590799	JKWZVSTZQYMSPZ-XMHGGMMESA-N	403.569	5.186	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678790	DRPKSGWALBPGLB-LDADJPATSA-N	406.835	5.941	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)cc1	1866230926	VIJOEWKOSYNWMK-UHFFFAOYSA-N	417.509	5.459	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Br)cc3C)c2C)cc1	1874141725	SLCRYSPNEFSFQM-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
CCCN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977945028	LPHLYYMYXRJGFD-HSZRJFAPSA-N	411.590	5.231	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CC2)c(C2CCC2)c1Br	2079809155	WXIMLPQCKGHNHW-UHFFFAOYSA-N	415.253	5.563	10	10	HKCE	
CCCNCc1ccc(N(CCCCOC)Cc2ccccc2)c(Br)c1	2095868698	RSDJCFZJRJVUAA-UHFFFAOYSA-N	419.407	5.382	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@]12CC[C@@H]1CCCN2Cc1ccccc1	2145604762	ORRIUQUOGMDWDE-PGRDOPGGSA-N	405.369	5.233	10	10	HKCE	
Cc1ccc(CNCc2cc(Cl)cc(Br)c2O)cc1Br	2296126806	QCKGBNWUTZFVAF-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
O=C(Oc1ccc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccco1	2296701098	PXWILYHBVZKYNY-UHFFFAOYSA-N	413.520	5.033	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	2321646809	ZMOFVCLOAPPXQL-UHFFFAOYSA-N	422.940	5.376	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1	2323852628	HLWUYJFTGNHWHX-UHFFFAOYSA-N	401.622	5.579	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140715	DRPKSGWALBPGLB-UHFFFAOYSA-N	406.835	5.941	10	10	HKCE	
CCOc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c([N+](=O)[O-])c1	5025780	RGRRMOSGCYLDJB-DEDYPNTBSA-N	417.421	5.060	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477799	UFTBGIXDRLKDFY-ASAVFMKPSA-N	415.364	6.348	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	14478449	GMOSRYPIVVYIBY-YDIMBITNSA-N	411.461	5.674	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccc(C)c2)[C@@H]2CC=C[C@H]32)cc1	14480131	VDAQZOPZRCPGFG-PPJWLVRDSA-N	424.544	6.473	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552270	RSEHIEAPLTZLEC-HWBMXIPRSA-N	420.622	6.497	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@@H]2C=CC[C@@H]21	14552509	AFSQMMCODOFPCS-YZIHRLCOSA-N	410.517	6.082	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1	16850789	XJYOHVVRGYEXBA-FOCLMDBBSA-N	405.501	5.599	10	10	HKCE	
CN(C)c1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	33352341	SOMGBKDKVKQBFH-ZROIWOOFSA-N	404.691	5.150	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	100148645	XOZJSHKNHZNBOB-XDJHFCHBSA-N	405.542	5.706	10	10	HKCE	
CCOc1ccccc1/C=C\C(=O)Nc1ccc2nc(N(CC)CC)cc(C)c2c1	104365394	KJFWPYOTEZWINP-QINSGFPZSA-N	403.526	5.440	10	10	HKCE	
CC[C@@H](NCCc1ccc(Br)s1)c1cc(Br)ccc1O	226364807	PTYCNMOZOJCHSP-CYBMUJFWSA-N	419.182	5.262	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226705355	LFFRELXJVASXJQ-YVHKJVDXSA-N	414.343	6.016	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226711578	BKGJQTGSZSDCIN-OTNCWRBYSA-N	404.554	5.926	10	10	HKCE	
CCOc1cc(C(=O)N(c2ccccc2)c2ccc(N)cc2)cc(OCC)c1OCC	244048020	TUHSWUZJDOVUDD-UHFFFAOYSA-N	420.509	5.443	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1	250507439	MKIFZKXMUVVQEW-HNVPCBRESA-N	410.517	5.139	10	10	HKCE	
CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(N=Nc2ccccc2)cc1	254699984	VJANKSAISSROLW-UHFFFAOYSA-N	401.510	6.308	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385504081	KAKHKPSBUVHPJX-KRWDZBQOSA-N	401.392	5.754	10	10	HKCE	
Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)c2ccc(F)c(F)c2F)cc1	1857991631	HENKSFFQGQUAER-UHFFFAOYSA-N	409.411	5.057	10	10	HKCE	
CCOc1ccc(CCNC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OCC	1874173297	NICRNJXHXRGIBW-UHFFFAOYSA-N	420.553	5.172	10	10	HKCE	
O=C(O)CSC(=Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1	2042447727	VNNQLMKBMJHDFE-UHFFFAOYSA-N	410.564	5.603	10	10	HKCE	
CC[C@@H](NC[C@](C)(CC)N(C)Cc1ccccc1)c1cc(Br)ccc1O	2098945570	GNGISPGCUYBRQM-IRLDBZIGSA-N	419.407	5.496	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2ccc(Br)c(Br)c2)c1	2185908402	WRINBEQDTTYABB-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	2294259029	BSOBBCJUCYLPHN-UHFFFAOYSA-N	407.900	6.965	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4)o3)SC2=S)cc1	2297560004	ATXFCCUFSVOWLI-UHFFFAOYSA-N	407.516	5.751	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	2321646883	WRAYGSBQYZRWTL-UHFFFAOYSA-N	422.940	5.376	10	10	HKCE	
COc1ccc(N2N=C(C)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	2332118434	KUAYRCXKSVCISY-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14480096	JCVDBQQSDZWPIZ-SURPGJSWSA-N	408.545	6.313	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@@H]2C=CC[C@H]21	20749386	QBOZCCQNVCNLGQ-KHCICDEESA-N	402.538	5.538	10	10	HKCE	
Nc1ccc(/N=c2/oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1	101073934	DEUFISZARXUFEH-AZPGRJICSA-N	419.509	6.677	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@@H]21	226863642	IVMKSLXDIQZBOI-YZIHRLCOSA-N	416.565	5.928	10	10	HKCE	
C[C@](CO)(Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1	386986160	YSTCLFMRJLZTSR-JOCHJYFZSA-N	412.327	5.348	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1	1860086929	PSHDYRZVRJAWKY-LICLKQGHSA-N	417.939	5.311	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	2297317071	IXPVPOSHMSMYLW-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1	2297624576	DIDVIUTXFBWAGJ-HNNXBMFYSA-N	413.564	5.147	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCCOc4ccccc4)c3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545046	IYYUZQOKRUNVCI-ZVUIFXONSA-N	422.528	6.452	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546162	YYJOCGZEKWCIPH-XXKSCLRYSA-N	424.544	6.013	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1	14550142	DQIQIGZJMPAPNB-TXPKVOOTSA-N	403.263	5.126	10	10	HKCE	
Oc1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1	20763483	RUVSDLFTMKWXDI-UZLBHIALSA-N	413.340	5.439	10	10	HKCE	
Cc1ccc(C)c(/N=N/c2cc(C)c(/N=N\c3c(O)ccc4ccccc34)cc2C)c1	100101859	NPGIHFRTRXVWOY-FUGFHMGBSA-N	408.505	8.610	10	10	HKCE	
CCCCOc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1OC	208356322	QHLWOQPJKWNTRC-RCCKNPSSSA-N	410.539	5.519	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226667617	WJYWLUYGTGOBNB-QYXIYQDXSA-N	403.547	6.341	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	226804445	CTRTXMMWRPNZDJ-TZBSWOFLSA-N	414.936	6.727	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858588495	IZDUZMCJANWNPR-XITYMMIZSA-N	411.514	5.731	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	1860073508	LXUVIIKXMBGBGC-RCCKNPSSSA-N	410.608	6.062	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	1860083958	HZLOYFZGWLUHAE-LZYBPNLTSA-N	410.347	5.716	10	10	HKCE	
CCc1sc(NC(=O)[C@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1	1865961429	DKYGNFYIHVILQC-LLVKDONJSA-N	424.360	5.511	10	10	HKCE	
Cc1ccc(O)c(Cn2nc(C(C)(C)C)c(C3CCC3)c2I)c1	2079720433	NMQVOLSZKKZAHJ-UHFFFAOYSA-N	424.326	5.115	10	10	HKCE	
O=C(O)c1cccc(-c2ccc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1	2293983695	RUPWORKYOYIOPC-UHFFFAOYSA-N	423.421	5.020	10	10	HKCE	
O=C(O)c1ccc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2314929723	QVKFBGDDFKFMNU-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321569976	CYKHHJFXYWAKPO-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	2332148413	QYDDPRZQUMABLJ-UHFFFAOYSA-N	411.461	5.042	10	10	HKCE	
CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)N[C@@H](C)CC)c2)c1C	2929016	DJNQTKZXLKYLRZ-KRWDZBQOSA-N	404.510	5.158	10	10	HKCE	
CC(C)[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4729940	PMAFALHVXTYBAT-PKOBYXMFSA-N	407.739	5.314	10	10	HKCE	
CC(C)[C@H](C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	6564177	UWINOIRLQDHVIM-OZSVZHKOSA-N	402.454	6.389	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	14464648	KLOMCKYIGYKTAZ-MWLAQPAQSA-N	424.544	5.575	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467618	MTWOPORRYHVGDA-TVZGQMOCSA-N	403.309	5.275	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467636	ZGZPEUFMBNEJBK-GCKMJXCFSA-N	404.337	6.704	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468908	NYUBYVFQVRAGES-FHAGJXEFSA-N	407.510	5.626	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14480506	LOAPUCDWDTUTHQ-ABSDTBQOSA-N	417.290	5.516	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	14549780	KUVKBCDMDUBNNR-FBLLAGFSSA-N	412.508	5.924	10	10	HKCE	
OC1=N[C@@H](c2cc(Cc3ccccc3Cl)ccc2O)Nc2sc3c(c21)CCCC3	35668939	YYGRSCQWSUNJNX-OAQYLSRUSA-N	424.953	6.006	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53363966	PAXNZKFDOVYBQJ-RDGATRHJSA-N	420.940	5.975	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829403	WJSPCZYXRQKINT-YVHKJVDXSA-N	415.364	6.350	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226829935	OKCBUJZRRGWHHS-ZOCZFRKYSA-N	401.337	5.960	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250641264	FCLGRLIBQFVQFB-YDIMBITNSA-N	422.355	7.399	10	10	HKCE	
CC[C@@H](N[C@H](CN(C)Cc1ccccc1)C(C)C)c1cc(Br)ccc1O	398017079	HSCMJIDXVFBPRD-NHCUHLMSSA-N	419.407	5.352	10	10	HKCE	
CC[C@H](Nc1cccc(Br)c1Cl)c1cc(Br)ccc1O	690788082	DYIINGPPEPBMBI-LBPRGKRZSA-N	419.544	6.134	10	10	HKCE	
Cc1ccc(O)c(CNCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1	1860713592	JHGFDXACNWCJQP-UHFFFAOYSA-N	410.901	5.265	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)c2ccccc21	1865670478	BPXCIGPPLPKVJX-YBEGLDIGSA-N	403.791	5.180	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccccc2C)cc1	1865680453	LNYDZDNBMCBJGI-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1cc(F)ccc1F	2321758038	ZIEUPNQITDXTJA-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	2331592510	SCOZOTWICWFNBL-UHFFFAOYSA-N	417.983	5.776	10	10	HKCE	
CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)SC1=S	2823144	AEVMDOZJDKAABB-QGOAFFKASA-N	411.548	5.034	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2)c1ccccc1	14456231	JUMCYXBVHXPORR-PQNGQFLHSA-N	414.574	6.550	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14460853	VBSFLPKOHRDGLB-AUSJPIAWSA-N	414.299	5.158	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467644	IXJHBONSWHFGBZ-GCKMJXCFSA-N	404.337	6.560	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477710	BMDDTCIDAIGVJM-DWKCODDLSA-N	416.348	6.378	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1	28048521	OZMLKMBHGQTSAO-UHFFFAOYSA-N	420.317	5.334	10	10	HKCE	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1Br	41641487	AECGAPLZJOHCKQ-LBPRGKRZSA-N	412.169	5.128	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	226743287	JOKVQFWKOBXMKN-XFQAVAEZSA-N	416.974	5.243	10	10	HKCE	
Nc1ccc(N(C(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1	244202827	VPSGPVJGSSSTCE-UHFFFAOYSA-N	407.517	6.229	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21)c1ccccc1	251499355	FOXUOLUOBSOVLU-SDLCRUBJSA-N	400.547	6.066	10	10	HKCE	
CC(C)c1ccc(N2CC[C@@H]3CCCCN3[C@@H]2c2cc(Cl)cc(Cl)c2O)cc1	253607329	MNROYYGFKZTBDO-MBSDFSHPSA-N	419.396	6.586	10	10	HKCE	
Oc1c(Br)cccc1CNc1cc(F)c(Br)c(Cl)c1	311733626	WPEKJOXKGWTDEL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC[C@H](Nc1cc(C)cnc1Br)c1cc(Br)ccc1O	313166706	UBJUJYRYVXIYBE-LBPRGKRZSA-N	400.114	5.184	10	10	HKCE	
CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1cccc(Cl)c1	1857997065	ZKEYVYGDCYCUGQ-UHFFFAOYSA-N	413.836	5.215	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860086625	WRHUETFMGFZPEM-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	1860087121	AZMGSDJEWATJPR-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3ccc(C(C)C)cc3)C2=O)c1	1865664342	MQQGBXZOVHCRCW-NDENLUEZSA-N	400.444	5.771	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OCC	1865665259	JYEMUFLCFAYTNR-LTGZKZEYSA-N	406.526	5.769	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)c1	1865668597	GYYOBNAMIPGGBV-QJOMJCCJSA-N	414.480	5.445	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(OCC(C)C)c2)sc(C)c1-c1ccccc1	1866008064	HIIXWFARHPQFGR-UHFFFAOYSA-N	423.534	5.797	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)cc1	1872739654	XQLCLDCTWQMTBH-UHFFFAOYSA-N	424.426	5.567	10	10	HKCE	
CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCC)C1=O	1873167918	CQBGNDLRYQAVLL-UHFFFAOYSA-N	421.585	5.144	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	1946784436	ACZPHQBZGUMUAV-CYBMUJFWSA-N	401.270	5.298	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2nc(-c3ccccc3)cc2I)cc1C	2070025909	GYSWYWVSXZTCMD-CQSZACIVSA-N	418.278	5.086	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079040486	LZVDLXDXGLQOHY-HNNXBMFYSA-N	416.827	5.136	10	10	HKCE	
CSc1ncc(CN[C@H](C)c2ccc(Br)cc2Br)s1	2269274271	XHVPJJYGTIFDOP-MRVPVSSYSA-N	422.211	5.241	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=Cc1ccc(N(C)C)cc1	2293520705	PPRRPBWYTHDAKP-UHFFFAOYSA-N	422.941	5.336	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1	2297295727	LCRDUZVJATUUOO-UHFFFAOYSA-N	404.560	5.496	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)c1	2297295836	FCGUSBLGZMOQJM-UHFFFAOYSA-N	421.499	5.359	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC	2297455779	VGXIORRNIOYSOQ-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cn(C)c3ccccc23)cc1	2332128926	RWFPUVZINUNVPN-UHFFFAOYSA-N	421.500	5.330	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456896	LXIYAHJBXQKDQW-SKPFHBQLSA-N	400.547	6.160	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468009	VIBGYTFVPQKPQV-PJSUUKDQSA-N	403.309	5.874	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14543765	MSUYQDTUYGTWJC-PPJWLVRDSA-N	416.565	5.928	10	10	HKCE	
Fc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14549864	PHKMQUFBEZTYTM-ZEVJAHDQSA-N	401.481	6.110	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21	20708121	PXGUXZYCEVQNBH-ONBPZOJHSA-N	422.572	6.729	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	27521818	JFTHZJOTTDZLJE-ZHZULCJRSA-N	417.852	5.391	10	10	HKCE	
CC(C)N1C(=O)/C(=C\c2ccc(COc3ccc(F)cc3Cl)o2)SC1=S	33514754	REOSRIFGXGIUAM-LZYBPNLTSA-N	411.907	5.261	10	10	HKCE	
C/C(=C1/SC(Nc2cc(C)ccc2C)=NC1=O)c1ccc(Br)cc1	39870284	WNSWLBIGGJCEBA-LGMDPLHJSA-N	401.329	5.538	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54619318	NNUIZBGZCLCOTR-JOCHJYFZSA-N	402.450	5.220	10	10	HKCE	
CC[C@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2	242692351	CXFKKBFXKQQQKI-VWLOTQADSA-N	415.606	6.312	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1	1860084845	QRPGMXLJJLLLNG-DEDYPNTBSA-N	410.564	5.141	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc2c(O)cccc12	1860085062	JKQXMHUWMLHLQB-VCHYOVAHSA-N	415.898	5.744	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12	1865658626	PHIWZLIHTBHRRN-CPNJWEJPSA-N	409.316	6.733	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2079007243	PHZLEXLTBZYZBW-GOSISDBHSA-N	405.336	5.375	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1	2293163844	SNTRBOTWYHSKEO-UHFFFAOYSA-N	420.509	5.778	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1	2296707739	DQYSRGFIEFOKRW-UHFFFAOYSA-N	404.354	5.159	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323766956	XCMSNWWXEISGMX-GFCCVEGCSA-N	404.354	5.412	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459859	CDXWCDJBOSRRDI-IUKKYPGJSA-N	418.537	5.099	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466054	GVJNTUJTGYRXFO-PNLZDCPESA-N	416.974	5.197	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471074	MCKQRHWUKLWHAW-PNCHPQGNSA-N	412.917	6.500	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477881	OKCBUJZRRGWHHS-CKJXQJPGSA-N	401.337	5.960	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@@H]2C=CC[C@H]21	14553669	IIEOMNPNMYUEON-IPVFLDMMSA-N	410.517	6.082	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701644	YNXAMIFHSZFXJY-AGKSTNPPSA-N	417.336	5.665	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226843296	PYZXIKCOFPJYMR-XFQAVAEZSA-N	402.321	6.387	10	10	HKCE	
COc1cc(NCc2cc(Cl)ccc2O)c(Br)cc1Br	234930458	QYOVIXZACWZKLR-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccc(Br)c(F)c1	708176332	FTZZULDHCOSXRM-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086318	YGWFLKBZPNXLLQ-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	1865666035	ZRPQQMYIIOKEPY-MOSHPQCFSA-N	421.327	6.132	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(OC)ccc1OC	1865668238	NKSJIBHUUZXJBF-FOWTUZBSSA-N	416.880	5.078	10	10	HKCE	
C/C=C/C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC	1865859605	JLTPIYNDMRXZOL-GQCTYLIASA-N	408.317	5.177	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	2313518099	IEHTZDWSOLKPKE-UHFFFAOYSA-N	410.517	6.090	10	10	HKCE	
CCCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	2313682912	NRAUJIPPXLYIKO-UHFFFAOYSA-N	404.539	5.101	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(N)cc2)sc(C)c1-c1ccc(C)cc1	2321862867	VRCDXXXRGFCZHK-UHFFFAOYSA-N	406.507	5.053	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116411	LAWQEEMVIDFYQV-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132405	GMLKDRCUWQPCOV-UHFFFAOYSA-N	410.945	5.957	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13638608	CLOCEHIBLPFJOB-WFXMLNOXSA-N	412.327	5.842	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14467313	QHHCUOGGJYFBNH-XMZIXOGTSA-N	411.126	6.288	10	10	HKCE	
C1=C[C@@H]2c3ccc4ccccc4c3N[C@@H](c3ccccc3OCc3ccccc3)[C@@H]2C1	14476287	VTABQKHHIQUBMM-CTVOUCONSA-N	403.525	7.245	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549332	JBBCXSYCLCKWFE-BEYSDYMESA-N	405.541	7.608	10	10	HKCE	
C[C@H](NC(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20679866	CKQWYABPGJDTCH-MKHKVULQSA-N	410.517	5.710	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20698414	IYBANCMXTKUADX-OASJLCFRSA-N	414.593	6.653	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3O)C2)cc1	20765053	PTHTVBWAAXPKKT-NFBKMPQASA-N	410.876	5.416	10	10	HKCE	
CC(C)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1	33680482	QDJXCTBVYIOWRM-ZDLGFXPLSA-N	402.972	5.734	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1	54620171	JVCSFURDLWOIGW-VWLOTQADSA-N	412.533	6.629	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc(/N=N\c3ccccc3Cl)ccc2O)SC1=S	105669037	YFCMAZQLVWQCTQ-HGRRHRODSA-N	403.916	5.682	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	226697088	HHSLGDWITQJAJF-STSQHVNTSA-N	400.909	6.419	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226796731	RPJCXAQVLGWRIQ-KGVIQGDOSA-N	411.343	6.014	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1cccs1	1614990013	MATQLYOCEGBGQI-YVLHZVERSA-N	417.964	6.063	10	10	HKCE	
COc1ccccc1CN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858588951	JPQNXBKFCNFXAZ-MHWRWJLKSA-N	409.454	5.115	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(O)c(OCC)c1	1865650061	SVLBKMYSYLJVPB-RVDMUPIBSA-N	416.880	5.165	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(C)cc2C)sc2c1CCCC2	1865768900	JRCMDPNFEVXWAB-UHFFFAOYSA-N	413.539	5.022	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)cccc21	1868180293	XKZSZLHABLUYIB-OAQYLSRUSA-N	415.876	5.248	10	10	HKCE	
CN[C@@H](C)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	1892590545	HXPAADDYCQWJLV-HTAPYJJXSA-N	417.391	5.305	10	10	HKCE	
CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Br	2079124035	GLOFAALRMSAMFK-QGZVFWFLSA-N	423.351	5.034	10	10	HKCE	
CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	2156495624	AHYDFQXYCWHQDL-XJKSGUPXSA-N	417.377	5.262	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	2297577110	YOEGLSYSOSELQB-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	2313609786	NAQCTZJNQDMRDR-SFHVURJKSA-N	423.607	5.901	10	10	HKCE	
Cc1ccc(CNc2cc(F)c(Br)cc2F)c(O)c1Br	2381137802	QLPMUSGXHBNQTI-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14456099	KUUYJENNJIXDGO-KJWPAHLWSA-N	401.575	6.895	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546309	ACEBKECZKZZDAW-LZCXECNNSA-N	413.517	5.980	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	20689278	XFTOPUTYNRZMPY-PIBDYAPNSA-N	414.574	5.856	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20704682	VPHPKXLYXZBBCT-WHSLLNHNSA-N	414.889	5.490	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20719344	WTCQEXFJEONXNI-CLHVYKLBSA-N	415.533	6.090	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@@H]21	20719872	WONYJBUIDROMRY-JCWFFFCVSA-N	405.501	6.247	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20759735	ZENQIEWEZKCXKS-RQTOMXEWSA-N	412.558	6.487	10	10	HKCE	
CCc1ccc(C(=O)C[C@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1	48564644	BVYJCORMXIEWHF-JOCHJYFZSA-N	416.904	5.662	10	10	HKCE	
COc1ccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1OC	54621765	NBFQDZSUADZOFO-JOCHJYFZSA-N	406.507	5.529	10	10	HKCE	
CC(C)N1C(=O)/C(=C\c2oc3ccc(Br)cc3c2Cl)SC1=S	102927442	MXJSLTPUMIYPBB-WUXMJOGZSA-N	416.749	5.458	10	10	HKCE	
Nc1ccc(N(C(=S)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1	243226732	KKPFXXZWXNEGOK-UHFFFAOYSA-N	411.530	6.596	10	10	HKCE	
CCN(CC)c1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1	1078428452	CKNVMUJPXWIBIW-KNTRCKAVSA-N	410.521	5.657	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(OC[C@H]2CCCO2)cc1	1083906121	LNDJTMDZAAYKNN-HSZRJFAPSA-N	401.466	5.912	10	10	HKCE	
CC(C)N(C(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891468	DMEWSCVOVIFCMZ-UHFFFAOYSA-N	417.892	5.100	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	1860087413	VQBCECDQXMGZCR-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1c(Cl)cccc1Cl	1865664482	FIPIBNKZIXZWKY-LDADJPATSA-N	401.337	6.192	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1ccc(Br)cc1O	2138104303	RJAKHIKWFYIDFD-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1ccc(Oc2ccc(F)cc2)cc1Cl	2297679796	SEEQQVMWROEWTF-UHFFFAOYSA-N	416.905	5.728	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2cccc(Br)c2)SC1=S	2314533814	UCHXSURCBCAPDJ-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141499	YSDFIKWJIHQFSN-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13638502	HYMZOKIHSBSHSX-IMSXRSKXSA-N	418.334	7.068	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2O)[C@@H]2CC=C[C@H]32)cc1C	14474365	RTYQUEMMYKYCLL-DFIYOIEZSA-N	410.517	6.088	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14478256	WIEMPIBUSZSWIS-LZCXECNNSA-N	412.489	6.043	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478810	SYPBPWPUKYHNHS-PPJWLVRDSA-N	408.545	6.094	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)s1	14552380	HEXCEHHZLWBBFR-DCLXLUIPSA-N	400.547	6.444	10	10	HKCE	
Cc1cccc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	16926421	KBBJQHYFZUBUSR-SDXDJHTJSA-N	405.585	5.402	10	10	HKCE	
CCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S	40562411	BZAAENUHMBMUDR-RGEXLXHISA-N	411.596	5.145	10	10	HKCE	
Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)c1C	59859723	OMGJSNLQRHSFCZ-QNGOZBTKSA-N	419.525	5.292	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2[C@@H](C)CCc2ccccc2)cc1	96642920	XRWYRCQQCHJWQI-IBGZPJMESA-N	403.570	5.602	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226704354	IOMDTXAPFMGKGM-FKCDAAJZSA-N	416.609	6.899	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226720186	YKKCRENVBSLMHG-ZFGGDYGUSA-N	423.988	5.238	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	226847528	KZXPLQTVKCOIRA-ZLOLFTAESA-N	415.364	6.348	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCCCC3)C2=O)cc1OC	1858586923	YDUQVEBPNOUXBY-HMMYKYKNSA-N	419.612	5.798	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)ccc1OC	1858591201	CEOXHWXZKHWSLG-WOJGMQOQSA-N	419.955	5.149	10	10	HKCE	
CC(C)CSc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1859616639	VQEZKPCMGXVRSB-UHFFFAOYSA-N	415.514	5.462	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c([N+](=O)[O-])c1	1860084211	QEXZHUDYPBBIAJ-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	1865669986	BLTNFMFOPFUTLQ-QOMWVZHYSA-N	424.544	6.086	10	10	HKCE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1	1866014586	FZGJXKVFKBHOGR-AWEZNQCLSA-N	415.320	5.572	10	10	HKCE	
CC[C@@H](C)c1ccccc1N1C(=O)C(O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1872957623	AINXMJSCNIJKKY-MRXNPFEDSA-N	414.505	5.450	10	10	HKCE	
CCN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N2CCCC2)cc1	1999540396	QFKQWSIIDOVMPU-DEOSSOPVSA-N	423.601	5.375	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc([C@H](C)NC)cc1Br	2035638417	VQUQJYJPIYNDRR-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
C[C@@H](N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br)C(C)(C)C	2095913107	QPZLRTMTWAPWHB-MRXNPFEDSA-N	416.359	5.988	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=CC=Cc1cccc([N+](=O)[O-])c1	2297242779	QYKWJXMHDGWAIF-UHFFFAOYSA-N	402.237	5.264	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1	2313507497	QBBKOHGSYALEFF-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321672337	RIKFFYHRWFGFOV-UHFFFAOYSA-N	419.955	5.542	10	10	HKCE	
O=C1C(=Cc2cccc(Br)c2)C(c2ccccc2)=NN1c1ccccc1	2332097999	MVDIYFXKKHZYKK-UHFFFAOYSA-N	403.279	5.284	10	10	HKCE	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)SC1=S	2049283	JJQINDHIGSHZTD-BOPFTXTBSA-N	416.549	5.276	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(Br)c3)S2)cc1Cl	6859944	HMKVSWMXKCWMKZ-VIZOYTHASA-N	423.719	5.199	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	14460837	KPVDZFXLJBSEEU-VNBZBWLYSA-N	411.126	6.288	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464055	JVRVYKTUGMOZOW-LFAGZIFBSA-N	418.562	5.353	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476618	FATIZGHRFXPTBC-WOVHNISZSA-N	424.544	5.842	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477815	SCRDNEPIELXGBM-TXXWUTRGSA-N	416.348	6.378	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14478487	PORDYLCTJDDNJN-HWBMXIPRSA-N	416.546	5.622	10	10	HKCE	
Oc1ccc2ccccc2c1[C@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21	14547946	GJWINZDCVDKGHM-QTCYRWPVSA-N	416.735	7.332	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(F)cc1	17093184	FNHWYAQPEXJESQ-RCCKNPSSSA-N	422.529	5.044	10	10	HKCE	
CCn1/c(=C/C=C/C2=[N+](CC)c3cccc4cccc2c34)c2cccc3cccc1c32	32106028	FSOMZNMBKNFLGB-UHFFFAOYSA-N	401.533	6.190	10	10	HKCE	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1I	37056094	KSIOTDAHIZDARM-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226632384	BWTCIPRBTGXEFJ-QQNWGBJXSA-N	411.545	6.533	10	10	HKCE	
CC(C)NCc1ccc(N2CCC(OCc3ccccc3)CC2)cc1Br	384086273	DPHPVGFLDUYMCI-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526309365	GRFFIHAOFUAZRM-OAQYLSRUSA-N	407.853	5.117	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	1860086184	PBXUYQZZUNBSLS-WOJGMQOQSA-N	403.956	5.781	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=C2CCCCC2)sc(C)c1-c1ccc(Cl)cc1	1866063542	DQJLTUURJPZRMN-UHFFFAOYSA-N	417.958	6.383	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079034901	UZNGLHWERXSKFO-GOSISDBHSA-N	406.954	5.660	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1CCC1=CCCCC1	2323839586	GHGNHHSEBFDQAE-UHFFFAOYSA-N	408.932	5.340	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2c(Cl)cccc2Cl)cc1	2332103974	JFCGTFYIYHEPCI-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@H](C)O)cc2Br)c1Br	2369667277	KWTKXZHDMHIAKV-VIFPVBQESA-N	419.182	5.271	10	10	HKCE	
Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)o1	10015844	LVNHSPCHIBTHAX-UHFFFAOYSA-N	421.497	5.567	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14458522	OVAMUJKZQMGGBN-VXJMNVAESA-N	408.545	6.313	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463518	ONCMGFAFLZOGCI-HWBMXIPRSA-N	404.554	5.403	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	14467074	QXCVRUAVKUWNMQ-RVPKQNPDSA-N	401.120	6.832	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477318	DVLNOWKWCUCNQP-BLVATGICSA-N	415.364	6.348	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547056	KIIPKWSZZSWBHR-WJONJSRFSA-N	415.364	6.302	10	10	HKCE	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14551023	SDOVKRGHZITIAY-JCYRPKCISA-N	418.537	6.771	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@@H]2CC=C[C@@H]32)CC1	20698877	KJPIMBPWUYNIMQ-LSCGWGKXSA-N	422.572	6.538	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703248	IHWDJQXAOWMCJY-YOSAUDMPSA-N	416.452	6.139	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226889592	OTFVXVKMUPNUAH-HLFMIMNKSA-N	401.337	6.559	10	10	HKCE	
COc1cc(Cl)cc(CNc2c(Cl)cc(Br)cc2Cl)c1O	229050097	BDJJSJVJAYIEKU-UHFFFAOYSA-N	411.510	5.736	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1	247407664	OSXPNPRPAJYLGH-MCDSLLMFSA-N	420.512	6.642	10	10	HKCE	
C[C@H](NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1O	390579455	GMUXTVNBILLTSP-QHCPKHFHSA-N	424.588	6.289	10	10	HKCE	
Cc1c(OCc2ccc(C(C)(C)C)cc2)c(=O)ccn1CCCOc1ccc(N)cc1	1857919814	YZWKEPOZCBAIND-UHFFFAOYSA-N	420.553	5.085	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	1858588585	NINZZJBSLSBCKF-WHHPWHFISA-N	414.640	5.559	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCC1=CCCCC1	1858596481	UPWIFHYYPLLNGR-FOWTUZBSSA-N	408.386	5.541	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	1865665712	HYHHJDNNMYCFDF-BKUYFWCQSA-N	421.327	6.132	10	10	HKCE	
COc1ccc(N2N=C(C)/C(=C\c3ccc(OCc4ccccc4C)cc3)C2=O)cc1	1865676916	RBEMMZADWNFKPJ-PCLIKHOPSA-N	412.489	5.389	10	10	HKCE	
O=C(CCc1cccc(-c2ccccc2)c1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891720139	QHIMWAWAKSMIGE-HOFKKMOUSA-N	410.561	5.591	10	10	HKCE	
CCc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC)C2=O)cc1	2053497563	OBOHPNGETOUBPB-UHFFFAOYSA-N	419.575	5.323	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C=O)c2Br)C(C)(C)C)cc1C	2080002967	GDFPYDUBROOBSC-GOSISDBHSA-N	419.363	5.468	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2Br)cc1C	2080012291	MYEGZYRNRLXHKZ-QGZVFWFLSA-N	409.368	5.003	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231481677	WAHNUHMGDQHGSF-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
CCOc1ccc(C=C2SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1	2296681970	MLGXFICJCLRAOT-UHFFFAOYSA-N	406.551	5.010	10	10	HKCE	
CC(C)(C)c1ccc(C2=CC(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1	2313510641	YSCGDIPWARTZAQ-UHFFFAOYSA-N	404.893	6.879	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2323680949	YCBOPIZPQSARPS-XPYUAMARSA-N	401.597	5.501	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cccc(Br)c1	2332098020	PIZXQBXVKFOWRJ-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
O=C1N=C(O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1F	1212052	NTTXNJFFWAHREN-QINSGFPZSA-N	408.410	5.077	10	10	HKCE	
O=C(NN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=S)c1ccccc1Cl	5171679	SXWDELUTMUCSDM-NTEUORMPSA-N	409.319	5.176	10	10	HKCE	
O=S(=O)(c1ccc(/N=N/c2cc(Cl)cc(Cl)c2O)cc1)N1CCCCC1	6505949	JHYYFKPCAPHHDM-QZQOTICOSA-N	414.314	5.289	10	10	HKCE	
O=C1N=C(N2CCCCC2)S/C1=C\C1=Cc2ccccc2O[C@@H]1c1ccccc1	6885514	PEFXKGUBLCICRS-CSMMYAOASA-N	402.519	5.203	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460731	XYIFMKIQLRZNLB-IMSXRSKXSA-N	400.909	6.419	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462331	XCNYJGMDQYBGAI-MCEYFSPLSA-N	403.570	6.098	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464642	GWMZFKSVALVGKP-HNVPCBRESA-N	412.533	5.433	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2ccccc2O)[C@@H]2CC=C[C@H]32)cc1C	14474367	RTYQUEMMYKYCLL-WZOHSFFVSA-N	410.517	6.088	10	10	HKCE	
COc1ccccc1N=N[C@@H]1C(=O)N(c2nc(-c3ccc(C)cc3)cs2)N=C1C	575733414	SOQNTXCFJUAJLL-IBGZPJMESA-N	405.483	5.002	10	10	HKCE	
Cc1cc(Br)c(NCc2cc(F)cc(F)c2O)c(Br)c1	708441870	LRGWBYCEEBKPKP-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	1081254085	FVNRKKPVVBAPDH-SOZUMNATSA-N	400.227	6.719	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	1858588584	NINZZJBSLSBCKF-VSGNWRRXSA-N	414.640	5.559	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656342	FNXFRPNOALITLC-OVCLIPMQSA-N	424.125	5.558	10	10	HKCE	
CCC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1	1872853069	JPGQCHNSFDNNFR-UHFFFAOYSA-N	416.565	6.272	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)COC)cc1Br	1915483532	CSLMDFCTECLIMV-QGZVFWFLSA-N	419.407	5.551	10	10	HKCE	
CC(C)(C)OC(=O)N(CC[C@H](O)c1ccc(N2CCCCC2)cc1)Cc1ccccc1	1999523710	QACOZNFOGRSYNU-DEOSSOPVSA-N	424.585	5.538	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2095838077	WPBSJZKQFZUYSZ-GOSISDBHSA-N	415.419	6.316	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4cccc(Cl)c4C)C3=O)c2c1	2321604259	NSUZASSDJDEHGC-UHFFFAOYSA-N	414.939	5.544	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OCC	2323790888	SDHISBGVBDAQCR-NVXWUHKLSA-N	419.612	5.654	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1	2332116551	AHLZHLOBCPXGGI-UHFFFAOYSA-N	406.526	5.851	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461962	BMIDJRUACMOEJU-OARDWFSCSA-N	418.625	7.318	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	20703217	CUGCSBMTGUAMIL-AOJNWGRGSA-N	413.517	6.109	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711868	QMFONGLCDORXKD-PZPWOCDFSA-N	404.337	6.235	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	226807366	GLXMAVNOUGVXSY-QQNWGBJXSA-N	411.545	6.533	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1860084030	LXZGUKAZCCDBLV-XNTDXEJSSA-N	410.347	5.798	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1	1860086709	CEEDNXMKDXQOQL-GZTJUZNOSA-N	417.939	5.313	10	10	HKCE	
CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668592	GVDCRRSZWTZMKH-MFKUBSTISA-N	414.480	5.515	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F	1865674533	KIWMFQSILRHLQG-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc(C)c1-c1ccc(C)cc1	1865931961	BTCCTKMILHUCOX-UHFFFAOYSA-N	423.534	5.453	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2034812386	DJCRCPAUKLTCQQ-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
c1ccc(/N=N/c2cc(C3CCCCC3)ccc2OCc2cccc3ccccc23)cc1	2295356108	KMRLIQOWMDNOMF-NVQSTNCTSA-N	420.556	8.882	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	2296887138	QQRLPINOIZKSRR-UGKGYDQZSA-N	407.424	5.398	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332103958	IUMDRSIOCSXWIO-UHFFFAOYSA-N	401.337	6.192	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2sccc2C)cc1	2332127607	OORWCPNJFPGISV-UHFFFAOYSA-N	422.937	5.549	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(Br)cc1	2332147489	HDVZVKRPKURTMD-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C(=O)C2=O	8236604	BDGRHCXYCYBOTI-PKTZIBPZSA-N	411.885	5.035	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467600	UXMGBOVNICWEOZ-AFBRZQFHSA-N	417.336	5.664	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467767	SPLQGUPINNYVCE-CKJXQJPGSA-N	420.336	5.941	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21	14469071	LHKCHWUSMJBSJF-JXQFQVJHSA-N	407.510	5.626	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469153	XBUXYFZDGWNJAA-OHGMFUDRSA-N	407.510	5.624	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	20695130	FNNPOROHHUAZDD-PQNGQFLHSA-N	414.936	6.097	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@H]21	20750273	BHWOZERBODOCAE-MTNXABLMSA-N	416.348	6.378	10	10	HKCE	
COc1ccc(-c2ccc(CCC(=O)NC3CCC3)n2-c2ccc(SC)cc2)cc1	23332648	QDUCOZWLWUUFPC-UHFFFAOYSA-N	420.578	5.476	10	10	HKCE	
O=C(Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1)c1ccc(F)cc1	33320636	TVWFCQKLQSJCGP-UHFFFAOYSA-N	420.875	5.101	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21	226726735	APASFXXOOIHGDT-BWACUDIHSA-N	411.126	6.288	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226852672	UPPVFOMXOMRVIW-VVBPWWLESA-N	411.889	5.813	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899302	DQAPWOYCPJOBJF-YIIWZEITSA-N	419.568	7.854	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1	526208718	IZHWEHDHGUHJJL-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526310904	WZWWNGKSEHZCIW-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	1081254084	FVNRKKPVVBAPDH-SEDUGSJDSA-N	400.227	6.719	10	10	HKCE	
Cc1c(Cl)cccc1/N=N/c1ccc(-c2cccc(Cl)c2C)c(Cl)c1C	1615216698	GWSWXKRWTAOMQX-OCEACIFDSA-N	403.740	8.654	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCc1ccc(F)cc1	1858591685	VMUPBULKPBIXKW-LFIBNONCSA-N	422.344	5.032	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	1860085440	LNYNFKDDXJXBHE-HMMYKYKNSA-N	410.564	5.091	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2sccc2C)cc1	1865670864	WHTJTOMUTCWMNG-DEDYPNTBSA-N	406.482	5.034	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1OC	1865673237	WWKFFHFOPGDAKA-GXDHUFHOSA-N	405.281	5.207	10	10	HKCE	
CCCOc1ccccc1C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC	1865742032	JTDKGIMNAZYNSS-UHFFFAOYSA-N	423.534	5.860	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2C)cc1	1873522780	YXDZUCUZUQUGJG-UHFFFAOYSA-N	412.537	5.497	10	10	HKCE	
Cc1cc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)ccc1C(C)C	1873914790	SRDBMLGZBASYDH-UHFFFAOYSA-N	422.484	5.399	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1(c2ccc(Cl)cc2)CCCC1	1891296265	NKVBGFGNYXAQBA-CVDCTZTESA-N	408.973	5.457	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccccc1	2313507452	NLZSTJFWMNBCPR-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(C=C1C(=O)N(c3ccccc3)N=C1c1ccccc1)=C2	2314450660	KCPUCEWAMVFVTN-GOSISDBHSA-N	422.484	5.237	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccccc3C(C)C)C2=O)cc1	2321665909	OCRMTEOGMPEENX-UHFFFAOYSA-N	410.608	6.062	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	2332103962	IYCCBLAZSOUMOY-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1	2332129721	GIBBGIJTTYYEQL-UHFFFAOYSA-N	402.325	5.646	10	10	HKCE	
CC[C@H](NCc1csc(C)c1Br)c1cc(Br)ccc1O	2369822515	LQJZOBZUTRUCOB-ZDUSSCGKSA-N	419.182	5.528	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473127	GISCFPOAEIHZGZ-NVAPDCRFSA-N	411.889	5.215	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477279	CGEDYAKASCUVAJ-LRAJWGHMSA-N	401.337	6.414	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549174	GXVDVFXPFIISKP-WZOHSFFVSA-N	410.448	6.867	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1	14550141	DQIQIGZJMPAPNB-FCEWJHQRSA-N	403.263	5.126	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CC=C[C@@H]32)CC1	20756715	SUZGRBKHFQCPCF-ZRCGQRJVSA-N	417.509	5.293	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)c(OC)c1	34781744	ZSHIVLUNYAAERT-BKUYFWCQSA-N	418.880	5.192	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S	39861682	RIQRJJOAYCKEOZ-UYRXBGFRSA-N	405.500	5.032	10	10	HKCE	
Cc1ccc(OC(=O)c2sc3nc(-c4ccco4)c4c(c3c2N)CCCC4)cc1	40568374	UDMYAHFESXWJRQ-UHFFFAOYSA-N	404.491	5.545	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccccc1F	59382253	YDTIBQNXMVNLGE-RIYZIHGNSA-N	413.326	5.403	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2c(O)cccc2Br)c1	706833737	DOEOSJYHROIHFM-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2cccc(NCc3cc(Cl)cc(Cl)c3O)c2C1	709943345	OMPNGZMSGUNODS-UHFFFAOYSA-N	409.313	5.562	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1OC	1860087414	VRMSORAUNUHMRB-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C	1874126780	YYFYPGWZJOSBTP-UHFFFAOYSA-N	402.416	5.052	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(F)c(F)c1	1891946969	GNIXXBRIHAMILH-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079998107	MFAFDQYNQMIQMI-HXUWFJFHSA-N	418.965	5.939	10	10	HKCE	
CC[C@H](Nc1ccc(C)nc1Br)c1cc(Br)ccc1O	2181677631	IPORHQLFPUJYIJ-LBPRGKRZSA-N	400.114	5.184	10	10	HKCE	
CC(C)CN(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2223519981	BAVGAGGSXWQUOD-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
Brc1cc(CNC2CCC2)ccc1N(Cc1ccccc1)C1CCCC1	2231454560	PJXGRYHQECSHKB-UHFFFAOYSA-N	413.403	6.040	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1OC	2294265320	QHKRNTNTOBKPPY-UHFFFAOYSA-N	423.940	5.957	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	2297325358	MSDRMLSBDSTYFI-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S	2297363126	MXLCKOBPBJNAIP-UHFFFAOYSA-N	406.576	5.547	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1OC	2332131708	VMYUCMCADWVRLP-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CCN1N=C(C(F)(F)F)C(=Cc2ccccc2OCc2ccccc2Cl)C1=O	2332133167	KFLCEOJHRKPVRE-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332140068	XZUMORAWCIHXJA-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(C2CCCCC2)cc1	6961624	SOWWLNVPQSTQCV-KGENOOAVSA-N	421.566	5.239	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1O	14459603	SGWWROFWMMKOMR-YZZKKUAISA-N	412.489	5.480	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463436	DZKILBOXYMCIQS-SGIRGMQISA-N	402.538	5.109	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468214	QOGDSNMFKOEYEO-FHAGJXEFSA-N	406.526	5.293	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477250	KZXPLQTVKCOIRA-BOLFOIPXSA-N	415.364	6.348	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@H]21	20696000	GMUROBKPDRNKES-CZIZLABSSA-N	411.126	6.288	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C\c2nc3cc4c(cc3s2)OCO4)cc1	35340703	JCZATSPLGXUDII-RAXLEYEMSA-N	414.530	6.222	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(N(C)C)cc1	526184563	FIADJJHLMUNNRZ-JOCHJYFZSA-N	420.534	5.270	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4cccc(F)c4)n3)cc2)cc1	1857850380	JXNDCHAUNBPGDD-UHFFFAOYSA-N	406.551	6.632	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2c(Cl)cccc2Cl)cc1	1865664669	JFCGTFYIYHEPCI-XMHGGMMESA-N	423.299	5.837	10	10	HKCE	
CCCCCn1cc(OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870788750	VJHORFPSDOYOGZ-UHFFFAOYSA-N	405.542	5.793	10	10	HKCE	
CCCNCc1ccc(N(CCC(C)(C)O)Cc2ccccc2)cc1Br	1915787335	FCOSLWIOHRYVRY-UHFFFAOYSA-N	419.407	5.116	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1	2296660269	RHBXPENUBWQRDP-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	2296706809	WBIHCPQEXXGOKO-JTQLQIEISA-N	412.363	6.253	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S	2313653091	OFLNPHJQJBSJRA-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1	2323882137	FWJAYCJYCIBODA-OAQYLSRUSA-N	422.619	5.287	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332099420	SPRXDGHJJQNRLV-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
O=C1N=C(O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccc(F)cc1	1172787	ZBLWNZWJBHBAQV-ATVHPVEESA-N	408.410	5.077	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccccc1Cl	5904785	MCZIRAPKFFDBQQ-XMHGGMMESA-N	411.885	5.006	10	10	HKCE	
Cc1cc(CNC(=O)Nc2ccccc2Br)c(C)n1-c1ccc(F)cc1	9228707	AEIPBRKNHQIRFS-UHFFFAOYSA-N	416.294	5.317	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14462611	KVUISGIIODFQSP-WAOWUJCRSA-N	415.318	6.241	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl	14470608	GAPSBDUVJXYNON-IECBHUPTSA-N	418.880	6.867	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546866	GQXHKCVZHFRPJV-VWVPQACVSA-N	401.337	5.958	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548244	FKGZMBKFJATIDG-VGIWPHODSA-N	412.533	5.900	10	10	HKCE	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1	33600494	QZTBVIHVLXPFAO-MPZUNYIRSA-N	419.554	5.068	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363234	ZWQPOXZWJIXIDQ-UPVQGACJSA-N	408.904	5.970	10	10	HKCE	
Cc1cc(Br)c(F)cc1NCc1cc(Cl)cc(Br)c1O	708110605	FIORSMWWRYPWGV-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC(C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1	1084538859	OCSCSIHQEAMELV-UHFFFAOYSA-N	423.538	5.752	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl	1860481854	WRJPDYHYUVZKBO-WCWDXBQESA-N	403.235	5.833	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1O	1865658828	TWIXBPJJIXUTFN-XLNRJJMWSA-N	420.468	5.389	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OCC	1865665505	XIVBYQGHKTZFQN-KGENOOAVSA-N	410.489	5.205	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1c2ccccc2Oc2ccccc21	1891711486	ZCVDXCDVKQGGIG-FPOVZHCZSA-N	410.517	5.229	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1c2ccccc2cc2ccccc12	1891944134	LGJVEYFRNLSGBI-RDPSFJRHSA-N	406.529	5.912	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c(Br)c1	1915374297	SWGKSPYABDNXCW-INIZCTEOSA-N	415.400	5.998	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(C)c2)SC1=S	2293415032	GTHUNVSMTDUPQQ-UHFFFAOYSA-N	403.956	5.449	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2293917281	LDOSGKZCHLLBDZ-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=O)N(CCOc3cccc4ccccc34)C2=O)cc1	2297449343	LFZGMAMKQGGQLT-UHFFFAOYSA-N	418.518	5.021	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	2297461790	ABPNVSWJHIHGIS-UHFFFAOYSA-N	422.937	6.297	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	2323680482	FXOWISFNZHENJL-OTRWWLKZSA-N	417.596	5.120	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545207	CXHOOXHXZYMGKG-BNIKKZEQSA-N	405.501	6.247	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	226667539	KKKSFOMOQUNHGM-OHIRSEEMSA-N	422.572	7.430	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226833154	DPDVSNGQBZBIMT-DJPHASSASA-N	415.364	6.348	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385435129	MVHINVGGOADESD-IAGOWNOFSA-N	401.392	5.925	10	10	HKCE	
Cc1cc(Br)cc(C)c1NCc1cc(Br)cc(F)c1O	715735269	DLNFENHZRWPPAW-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCCN1N=C(CC)/C(=C\c2ccc(OCc3ccccc3C)c(OCC)c2)C1=O	1865676883	PMGJVTSVHVBXLJ-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
CCCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1	1891928831	VSJAEMSPXUWLTB-UHFFFAOYSA-N	402.541	5.098	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2034755646	GXIVDHKSJBIDQD-UHFFFAOYSA-N	411.334	5.466	10	10	HKCE	
N=C1C(=Cc2cccc3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12	2297469004	IJWXNNKWHQYBBE-UHFFFAOYSA-N	416.550	5.819	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113677	WMKREKKTWLRBPC-UHFFFAOYSA-N	402.469	5.569	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116499	VEPGZRQIFOQJPT-UHFFFAOYSA-N	410.517	6.160	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CCC)cc1OC	2332125656	ZKEIPYIDFCEKBQ-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1Cl	2332134557	JSVVSXVCHTUTFQ-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CN(C)c2cccc(Cl)c2Br)c(O)c1Br	2380752965	AWEJFOWZYNYXMJ-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14465922	HHSLGDWITQJAJF-IXFSTUDKSA-N	400.909	6.419	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468013	VIBGYTFVPQKPQV-LRDNONRASA-N	403.309	5.874	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCC1	14546799	KCMKATGDZOBJGM-YGHRGLEHSA-N	413.348	6.056	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl	17083116	UUKSAJFIWHEWQP-LICLKQGHSA-N	405.241	5.010	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1Cl	39372911	QJIXMIRHUHUUSH-OWSLCNJRSA-N	402.925	5.745	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	39859237	YHIZHGRWUIFNOV-PXNMLYILSA-N	423.346	5.358	10	10	HKCE	
Cc1cc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)ccc1[N+](=O)[O-]	40868982	YGLQBLASERIPNL-DEOSSOPVSA-N	412.445	5.281	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364408	VTSDQDUDNJIKOD-VWNXMTODSA-N	424.903	5.806	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2cc(Br)cs2)c(Br)c1	110360545	LEFANBYKAGOOFJ-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226908450	MSODWZFZLZCKIP-WIEQDCTASA-N	402.321	6.387	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526150266	OLHCQKCCFBEFNZ-JOCHJYFZSA-N	406.432	5.088	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1	526473188	FFZBXSABFOMOTP-NRFANRHFSA-N	407.491	5.340	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1cc(Br)ccc1O	698170922	KGBPZSZWRBCXAQ-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc1	1860085625	FRVDKMMOFJHDGZ-XMHGGMMESA-N	415.605	5.993	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	1865669447	OPGOKACHIWDROB-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
CN[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	1999537589	BBSJDUBZNNOHRS-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(F)F)c(Br)c1	2034747090	MXLDDZMTELCATE-UHFFFAOYSA-N	411.334	5.466	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)F)c(C=O)c2Br)C2(C)CC2)cc1C	2080056312	RPOSCKMDPIIAMV-HNNXBMFYSA-N	413.262	5.108	10	10	HKCE	
CCCNCc1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100218940	HEEWSHAGCVAFEA-FCHUYYIVSA-N	417.391	5.133	10	10	HKCE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1coc(Br)c1	2118000967	CJFSRLLMFRNIFL-UHFFFAOYSA-N	421.335	5.020	10	10	HKCE	
CNCc1ccc(N(C)[C@@H](C)c2cscc2Br)cc1Br	2186572103	BDOKWELIZIUQNS-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2321672286	BPALHMBTOZHMGM-UHFFFAOYSA-N	411.935	5.908	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CCc1ccc(O)cc1	2323675427	LVJPBNOCGOBNNF-UHFFFAOYSA-N	410.347	5.143	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC(C)C	2332125478	GWRQLRNWYCIXCG-UHFFFAOYSA-N	412.489	5.317	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	2332139408	DPAZHVNPBFPSHS-UHFFFAOYSA-N	421.327	6.390	10	10	HKCE	
CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141127	HZLBDWXKQOIXRL-UHFFFAOYSA-N	412.489	5.470	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cccc(CC)c3)[C@@H](C)CC)ccc21	3585653	OTZRCSZIKDXXTF-FQEVSTJZSA-N	423.670	6.409	10	10	HKCE	
CCOc1ccc(/N=N/c2cc(Br)cc(Br)c2O)cc1	6388129	UCSIGEWEGMBQER-ISLYRVAYSA-N	400.070	5.731	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1ccncc1	12247758	CSNJERUOZDSAHA-JOCHJYFZSA-N	406.507	5.063	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)s1	14456630	IGBPPNUNCNMZCU-FPGHNAPASA-N	406.595	6.288	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546950	QVWBSGCAYHJVDG-PONJGIIJSA-N	404.337	6.235	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548282	DJYRCIUWDUDGAU-LGVUCKNBSA-N	412.533	6.357	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2)N1CCCCCC1	20700883	VIHIKQWEQDIELQ-IECBHUPTSA-N	406.957	6.183	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20756699	RWBGKWLTDAPANR-TXTKFYIRSA-N	417.509	5.438	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20758923	VVCPNBKWZWUSGH-LGVFNWMJSA-N	418.606	6.298	10	10	HKCE	
COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3O)C2)cc1	20765065	PTHTVBWAAXPKKT-REWPJTCUSA-N	410.876	5.416	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(I)cc1Cl	37105477	VFRHKMHCPQGFON-QMTHXVAHSA-N	413.686	5.619	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2	251326397	HUGTUZHZAMYDRO-ONFVETCGSA-N	424.610	5.515	10	10	HKCE	
Cc1cccc(-c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)s2)c1	1859707287	OMWOFHKOGWMFFW-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccccc2Cl)C1=O	1860076577	LWEWFHNZTFVJPC-VGOFMYFVSA-N	405.957	5.072	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860084448	YVAOMASNHNFRIL-MHWRWJLKSA-N	410.347	5.798	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656771	RHDZXUJFJJEJCI-FYJGNVAPSA-N	423.299	5.837	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)c1	1865670365	WRJNTYIMWWJQEW-UQQQWYQISA-N	410.517	5.532	10	10	HKCE	
Cc1ccc(OCc2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)c(C)c1	1872807144	DNGUOWQUBDLHNZ-UHFFFAOYSA-N	414.509	5.077	10	10	HKCE	
C[C@@H](N)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	1946810587	UCGUAAZDAQHPBI-CYBMUJFWSA-N	401.270	5.428	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)c(Br)c1	2034739851	QUEHEXMBXMUIQA-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100223368	PXXVPBQDENGUIP-IPHXSNPTSA-N	417.391	5.289	10	10	HKCE	
COc1ccc([C@@H](C)Nc2ccc(Br)c(Br)c2)c(O)c1	2185907600	OFBTUJSRFOGRJH-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
CNCc1ccc(N(C)[C@@H](C)c2cc(Br)cs2)c(Br)c1	2186574008	SHHBTMFRFMSXMS-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)C=C2c2ccccc2)cc1	2294271272	BVOLARYJGSYJPW-UHFFFAOYSA-N	416.318	6.229	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)SC1=S	2314646938	VMGIZPIRUPGCAR-INIZCTEOSA-N	406.617	5.688	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)ccc1OC	2321601647	RUFWLASUTVJKER-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1	2321656327	ZUOMVXDOANCIDC-UHFFFAOYSA-N	422.344	5.556	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c1	2321660683	AMTBFKKVITUSSG-UHFFFAOYSA-N	418.337	5.058	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(N)cc2)sc(C)c1-c1ccc(C)c(C)c1	2321862791	UZVURTVXEGWDLV-UHFFFAOYSA-N	420.534	5.361	10	10	HKCE	
Cc1ccc(CN[C@@H]2CCCC[C@H]2OCc2ccccc2)c(O)c1Br	2327799519	WMUARVJEFXSYPQ-RTBURBONSA-N	404.348	5.081	10	10	HKCE	
O=C1c2ccccc2-c2ncnc3c(Br)cc(NC4CCCCC4)c1c23	753971	RHGBOLSOUMFFPD-UHFFFAOYSA-N	408.299	5.348	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	13639079	NYXCBFABMLMXCF-SQGPQFPESA-N	411.343	5.415	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(NC(C)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642065	DJUOXAYKSIWRDK-AHPZTNMXSA-N	421.544	6.599	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14470684	UXAFGEAVAHKUNZ-QYWGDWMGSA-N	412.873	5.642	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473435	AHTHTPYFMPWELD-WHSLLNHNSA-N	411.889	5.669	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546297	XYNJSCYMGBJMAG-SXDGJLEOSA-N	411.545	6.533	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	14551065	QASZDDLPQBJQSF-DPLHUUCSSA-N	417.509	5.293	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	226707268	DGIPOMBVNPBQQH-VWKPWSFCSA-N	401.337	6.559	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCCCCC1	250500593	FYALJYIWVLQWDW-QQNWGBJXSA-N	422.572	6.683	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	251392115	WTDKQOWJOZIHJY-QWUVBGQNSA-N	417.597	5.888	10	10	HKCE	
O=C(CCC(=O)OCCCc1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1	1084362660	SIMKPEZXFOPGLZ-UHFFFAOYSA-N	415.493	5.997	10	10	HKCE	
COc1cc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)c(OC)cc1Cl	1860084075	CALUOLYJAONARG-CAOOACKPSA-N	405.928	5.071	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)cc1	1860087256	KRMJSECQHQKYQB-CPNJWEJPSA-N	410.564	5.348	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cn(C)c3ccccc23)cc1	1865670663	LKSRMKYJVJLFPS-LFVJCYFKSA-N	421.500	5.017	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678596	UJUAGIPIXIKTQG-HYARGMPZSA-N	402.881	5.492	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C[C@@H]3CCCC[C@H]3c3ccccc3)cc2)cc1	1866152722	ZNBAKMUVQCGUDG-CPJSRVTESA-N	400.522	6.364	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccs1	2040572466	AWHXIYXUQJUDBK-UHFFFAOYSA-N	420.563	5.057	10	10	HKCE	
Oc1cccc(Br)c1CNc1cc(Br)c(Cl)cc1F	2112632651	XNRXSCLKDXVKSV-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CC(C)(C)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(/N=N/c2ccccc2)c1	2295356202	SXGZBSRXWMBNAL-CYYJNZCTSA-N	413.348	8.285	10	10	HKCE	
CCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCCCC2)SC1=S	2314647602	FEDNSQFPEJQTIW-UHFFFAOYSA-N	411.596	5.145	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1Cl	2321669709	POOODKHSBJDJEP-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2CCC)cc1	2332114852	YFIDFTILDXXVSZ-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2cccc(C)c2)cc1	2332141145	KDUDPPPAISYZKT-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CC[C@@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	5791183	JNBPRNTYKIJSAO-ZGPWBKFBSA-N	419.575	5.539	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(cccc4[N+](=O)[O-])[C@H]4C=CC[C@H]43)ccc21	13642551	OMJFVEBZXFLYMA-SXMMONRFSA-N	409.489	6.549	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461231	SIWTVQCLZFTVHX-QBCAUPEHSA-N	414.343	6.159	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14465686	ZBBQYALDNISNMV-GJPOJAMWSA-N	408.929	5.075	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479603	LAGGYKHWHODWON-WOVHNISZSA-N	413.517	6.109	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479630	BXOAHSOVSPWXLQ-CNWOVPGOSA-N	406.526	5.059	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548315	JQGRMXPUZQUUCM-AERZXCTGSA-N	412.533	5.900	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2	14552362	OYMPAJUXQZXRTP-ZYLNGJIFSA-N	412.489	5.485	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	19893979	KZLTYUJLQWPSEB-GOHWNWGWSA-N	401.937	7.054	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c1	54619838	MFBOPEDWZOVZLX-QFIPXVFZSA-N	413.477	5.022	10	10	HKCE	
COc1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621708	SWCGNXWDVHLSKH-NRFANRHFSA-N	405.885	5.507	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3C)C2=O)cc1	59371383	BXEUGNCRNSDZNT-XSFVSMFZSA-N	411.596	5.112	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226704058	SNJRPHVIFBZNQP-ALTZYDRJSA-N	424.588	6.938	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1	254321292	ZZNYWYIRKYWCMT-MHCZKEFBSA-N	411.549	7.668	10	10	HKCE	
O=C(NC(=S)Nc1[nH]nc(C2CC2)c1N=Nc1ccc(Cl)cc1)c1ccccc1	263630957	KUESUOPWCRERSQ-UHFFFAOYSA-N	424.917	5.483	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)cc1	526202915	FHPQDKRGVDGETE-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	1860085572	AJQVQRMEWYIKJP-RCCKNPSSSA-N	402.544	5.387	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC	1860489957	KYHWLHWCCVZNTH-UHFFFAOYSA-N	415.843	6.178	10	10	HKCE	
CCCOc1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)c1	1872739823	GYQIGVPLBOYSDU-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)c(Br)c1	1915409812	HPMVZUHQDCUYMR-MSOLQXFVSA-N	419.407	5.287	10	10	HKCE	
CC1(c2nn(Cc3c(O)cccc3Br)c(Cl)c2C(F)(F)F)CC1	2079694584	RZONYKBBEMSMKN-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@H](C)N)c(Br)c2)c1Br	2157020482	RMVGGVYJVXJVFM-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
O=C1C(=CC=Cc2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2294746068	ZIBPTSFCJXVTRF-UHFFFAOYSA-N	402.884	5.210	10	10	HKCE	
CSCCCN1C(=O)C(=Cc2ccc(Oc3ccccc3)cc2)SC1=S	2294821414	ZYNHRWGVJHOYJH-UHFFFAOYSA-N	401.578	5.433	10	10	HKCE	
O=C(O)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2297357119	PHWGSZUKVYVWON-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N([C@@H](C)c3ccccc3)C1=O)=C2	2314450778	RPWSZHUHRSTSGH-GJZGRUSLSA-N	423.559	5.365	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2c(F)cccc2Cl)cc1	2332103914	DOSVYQAIQPFXEQ-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1	2279770	NPCLQZCJNCICSH-UNOMPAQXSA-N	411.935	6.001	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545089	HEHVSEUZAQVWIC-URVQXPFFSA-N	421.566	5.071	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14552347	ZENQIEWEZKCXKS-WRALFONMSA-N	412.558	6.487	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14552415	GIMFIBXTPBAHBX-SKVJQKLOSA-N	422.572	7.197	10	10	HKCE	
O=C(COc1ccccc1)N[C@@H](/C=C\c1ccccc1)c1c(O)ccc2ccccc12	33420203	DOZJYTVHXGJEEI-AUFNVCJYSA-N	409.485	5.495	10	10	HKCE	
O=C(COc1ccccc1)N[C@H](/C=C\c1ccccc1)c1c(O)ccc2ccccc12	33420205	DOZJYTVHXGJEEI-SFZZKXPISA-N	409.485	5.495	10	10	HKCE	
COc1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(C)cc2C)c1	34139240	XQBAQXBLTPHRRO-CJLVFECKSA-N	412.489	5.155	10	10	HKCE	
O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	34799761	JTOLJTSEHRMDKZ-GHXNOFRVSA-N	405.875	5.826	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1O	226687176	HLAUFWPVRUAAKC-RNHFSVANSA-N	418.537	5.244	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c[nH]c3ccccc13)N2)c1ccccc1	226861957	CXHOOXHXZYMGKG-KCPMXOJXSA-N	405.501	6.247	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	226897942	MVIHFJPKVULNCX-ZFGGDYGUSA-N	420.509	5.453	10	10	HKCE	
Cc1c(Cl)cccc1NCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S	1084535448	SBSMPPDSCNPUQJ-ODLFYWEKSA-N	416.999	6.043	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)cc1Br	1914856526	CUDMPVVJVFCSMD-CVEARBPZSA-N	416.384	6.332	10	10	HKCE	
C[C@@H](N)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946807884	FUBKUBVUFHPQOL-CYBMUJFWSA-N	401.270	5.428	10	10	HKCE	
Cc1cccc(N2CCN(C3=NC(=O)C(=Cc4ccc(C(C)(C)C)cc4)S3)CC2)c1	2296760010	SMWUAVFLJQSJTD-UHFFFAOYSA-N	419.594	5.085	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)ccc1O	2297356510	IHMITJUYRAFJAK-UHFFFAOYSA-N	411.672	5.167	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2318756486	NAVUNTDZBJGHMJ-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)cc1	2332096584	WYBMDNOVBFWGCV-UHFFFAOYSA-N	409.411	5.254	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118539	XFFZBAKUPRIAPW-UHFFFAOYSA-N	424.544	6.469	10	10	HKCE	
CCc1ccc(NC(=O)N(Cc2ccc3c(c2)CCCN3CC)C2CCCC2)cc1	3056859	UOIPTWRBRZOEKY-UHFFFAOYSA-N	405.586	5.998	10	10	HKCE	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NCc3ccccc3)cc2)C1	6782059	WVDBFSQIMKMUGS-NRFANRHFSA-N	420.556	6.199	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456293	STGRKSMFLLSDBK-YCRNBWNJSA-N	422.575	5.684	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14463525	DUNKFQTUGAZCEW-HZLPDVBGSA-N	416.565	5.545	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468216	QOGDSNMFKOEYEO-DFIYOIEZSA-N	406.526	5.293	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14469283	IOIBVUREWRIWRN-CEYNDMKZSA-N	420.509	5.186	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14479946	IHXLCIIIZWCPTE-HWBMXIPRSA-N	422.594	5.386	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14543895	RUOLFMJFAOIJEO-PPJWLVRDSA-N	410.517	6.164	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@H]2C=CC[C@H]21	14546214	WMNSEUFSNRABMM-UZINWLIJSA-N	424.544	6.391	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	20695831	WZEGWDMTXKMIGU-VPZZIHKRSA-N	401.260	5.198	10	10	HKCE	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1	33417269	IJIHKKJCGWGGKT-INIXKHHFSA-N	410.524	5.014	10	10	HKCE	
CC1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1	33679768	SUIQHLLUYPNUMG-WOJGMQOQSA-N	421.349	5.956	10	10	HKCE	
CCc1ccccc1N/C(C)=C1/C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1	205968011	AKQGNJKPZRIDFD-HKOYGPOVSA-N	411.505	5.395	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	210499327	KBBJQHYFZUBUSR-OBGWFSINSA-N	405.585	5.402	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226707911	VTAIQAXVQAPZJK-SLSDLSHTSA-N	400.566	6.263	10	10	HKCE	
Oc1ccc(N=Nc2ccccc2)cc1C(=S)N1CCN(Cc2ccccc2)CC1	254352735	WOQPEEYMBIDEKI-UHFFFAOYSA-N	416.550	5.301	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	385436258	AURIWAAUEIKSFW-QGZVFWFLSA-N	415.419	6.142	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656356	GJIXJACXSDEXAM-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccc(O)c2)sc(C)c1-c1ccc(Cl)cc1	1866086091	OPPGUBVNTCCAIF-UHFFFAOYSA-N	415.898	5.512	10	10	HKCE	
CC[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1874705443	MCUNNZNVHRDBEL-SFHVURJKSA-N	404.510	5.610	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CCC[C@H](OCc3ccccc3)C2)cc1Br	2129810948	PHSIODBDRVRKCN-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
COc1ccc(Br)c(CNc2ccc(OCc3ccccc3)cc2)c1O	2227747691	DZCAMAYWDVLTOW-UHFFFAOYSA-N	414.299	5.354	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCCCOc1ccccc1	2293225769	WBXUARMDOOMSDY-UHFFFAOYSA-N	412.489	5.341	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C	2293680453	CHCPUPHEROWFJK-UHFFFAOYSA-N	412.489	5.389	10	10	HKCE	
Cc1ccc(CN[C@H]2CCCC[C@H]2OCc2ccccc2)c(O)c1Br	2327799518	WMUARVJEFXSYPQ-RBUKOAKNSA-N	404.348	5.081	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133449	OXYWBPSEDVBKLX-UHFFFAOYSA-N	414.480	5.515	10	10	HKCE	
COc1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCCC3)cc1	2909464	MNNPGQBCATUTQJ-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1	3769015	YPCGNLUYGHEJDC-WJDWOHSUSA-N	409.454	5.510	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)ccc21	13642433	WFNYOCOVEJVKEX-FCDUAZGNSA-N	423.516	6.858	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1O)N2	14460033	IZIWGHBOBYKAOB-PXIJXODZSA-N	412.917	5.619	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476621	FATIZGHRFXPTBC-LZCXECNNSA-N	424.544	5.842	10	10	HKCE	
CCCCC1=NN2C(=N)/C(=C\c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	20238696	NEXDEZLUDNQHDY-ASMXPFNQSA-N	416.572	5.514	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20704998	PPLNAXGDAAQHDP-ZRCGQRJVSA-N	411.461	5.674	10	10	HKCE	
CC1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1	33031532	XVCXTBUHGYKWOV-UHFFFAOYSA-N	412.577	6.285	10	10	HKCE	
Nc1ccc(Cc2nn(C(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)cc1	821187637	ZKOIDZRNKGOAFO-UHFFFAOYSA-N	417.512	5.207	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1	1859058592	JRFMSBSCXHVZDI-OVCLIPMQSA-N	419.912	5.310	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)cc1	1865990010	LNVTZNCTOKHYRW-UHFFFAOYSA-N	407.684	6.274	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CC2CCCC2)sc(C)c1-c1ccc(Cl)cc1	1866180846	CRZAFTWKJVHCDF-UHFFFAOYSA-N	405.947	6.072	10	10	HKCE	
Cc1ccc(C)n1-c1cc(Br)c(Br)c(Br)c1	1938594745	UENRZHUUEGXHQW-UHFFFAOYSA-N	407.931	5.382	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2ccc(Br)cc2O)cc1	2089186824	RCHILRJQMMDAQI-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100222639	KMIAUYJSAAYOCH-JHVJFLLYSA-N	417.391	5.289	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccccc1Br	2296020951	RBNUVUJVAHMDLU-UHFFFAOYSA-N	415.337	5.336	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1	2321646899	AHKJQDLWSLKUHS-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323790652	AXIZNTMHWJHNBB-QMTHXVAHSA-N	414.365	5.368	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1	2332116620	IPPUCUMFGYCOQG-UHFFFAOYSA-N	408.517	5.977	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332130567	GKNGSTIYERAJFR-UHFFFAOYSA-N	413.924	5.517	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S	3659007	ZNBVGXURRJASJK-SXGWCWSVSA-N	423.390	5.881	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635539	GBBNSXIQMYGZBA-WRALFONMSA-N	410.517	5.452	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21	14474208	GGZSGQUPAAJAKB-DFIYOIEZSA-N	410.517	5.191	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14549009	HYLAUMAHNWEVJB-OHUGHZGNSA-N	400.547	6.146	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20698012	GRLPFYJDHIHMFO-LGVFNWMJSA-N	402.538	5.109	10	10	HKCE	
Oc1c([C@H](Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)ccc2cccnc12	54619565	WPKMUXRHOHMLSZ-HXUWFJFHSA-N	412.386	6.300	10	10	HKCE	
CCCCOc1ccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)cc1	54620151	BGNALJLDGCNSQY-QHCPKHFHSA-N	404.535	6.382	10	10	HKCE	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	101955606	QEKATLWSRRGBCO-RIYZIHGNSA-N	410.098	5.562	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(N)=O)cccc4[C@@H]4C=CC[C@@H]43)ccc21	226633676	RQLFHTUYKAGSCH-MIAKESKMSA-N	407.517	5.740	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226646695	CLOCEHIBLPFJOB-LVCYWYKZSA-N	412.327	5.842	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226789679	KVFLPZJBNIIORJ-PSRHSGHMSA-N	424.544	6.013	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226846539	GRFCPPKMBKOZSX-IWHLBADBSA-N	424.544	6.075	10	10	HKCE	
CC(C)[C@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	256018805	UWINOIRLQDHVIM-QFIPXVFZSA-N	402.454	6.389	10	10	HKCE	
COc1cccc(CNc2c(Br)cc(Cl)cc2Br)c1O	312155950	CXQQVOWEJWWSFM-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526224555	PAOTXQOJOOULGP-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	1860074783	MVGGOYMBAACHHB-DEDYPNTBSA-N	408.548	5.011	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860075133	JWCQZVMIEJXCEL-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
COc1cc(N2C(=O)/C(=C\c3ccc(F)c(C)c3)SC2=S)c(OC)cc1Cl	1860084473	NNPVDIWJLSTSON-REZTVBANSA-N	423.918	5.211	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cccc(OC)c1OCC	1865670157	LLPKANYWYMMJOT-NBVRZTHBSA-N	412.917	5.329	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1	1865677633	UXWLRPZPZWDTSK-ATVHPVEESA-N	409.272	5.534	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1	1866125540	MZXXEJRSDWRTCX-VGOFMYFVSA-N	407.311	5.274	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)NC2CCCCCCCCCCC2)c1C	1874139156	CGRAXWNWPUNBQC-UHFFFAOYSA-N	410.602	6.506	10	10	HKCE	
O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2314769634	SYGZNYAAKGRCTP-OAHLLOKOSA-N	424.330	5.021	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(CCCCCCCCCC(=O)O)C1=O	2314926720	QBKQJSQPGGOYOM-UHFFFAOYSA-N	405.585	5.402	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(C(C)C)cc2)SC1=S	2321635405	UMLYEFJNGBBPBI-UHFFFAOYSA-N	414.508	5.133	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cc(Cl)ccc1Cl	2321647114	UGBKVGFWMHNHSO-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	2321708975	GNNFFTJGCWVLQP-UHFFFAOYSA-N	416.571	5.641	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1Cc1ccc(Cl)cc1	2323840424	BEBHVBAHHQSHBK-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2ccc(Cl)c(Cl)c2)cc1	2332104704	JHLPAWJUZUZXCD-UHFFFAOYSA-N	403.309	5.288	10	10	HKCE	
COc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1	9228810	URRXGJCUBJUDBE-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460322	QEWRVFWFWQGRLE-JQVVWYNYSA-N	416.974	5.197	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@H]32)cc1	20769491	ZKJXJXVMFKVYRB-OASJLCFRSA-N	424.544	6.473	10	10	HKCE	
Cc1cccc(OC(=O)c2sc3nc(-c4ccco4)c4c(c3c2N)CCCC4)c1	40568372	IUFDSZJXWOMLTH-UHFFFAOYSA-N	404.491	5.545	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	210501309	YUHMUZSMIZUGNB-STZFQQOQSA-N	417.596	5.649	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(O)cc2O)N3)c1	226816457	RSMGEHCTVAWPKN-FHAGJXEFSA-N	412.489	5.485	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226857771	TUAQFTKLOTUKFR-YZIHRLCOSA-N	410.517	6.164	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)cc1	1860076603	OQCPVNHVJZHKLE-XMHGGMMESA-N	407.564	5.391	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667402	VCWYJKDMCNJROQ-RCCKNPSSSA-N	404.897	6.088	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(Cl)c1	1891951799	VBEQVWPCPPUZBR-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
C[C@@H](O)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915451134	QLYYJFAFYBGAAA-CRAIPNDOSA-N	404.348	5.077	10	10	HKCE	
CC(C)c1nn(Cc2ccc(Br)cc2O)c(Br)c1C(F)F	2079716325	ZCOGJNKTBMYPAC-UHFFFAOYSA-N	424.083	5.223	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2095888493	HOXWZIYGUMRVHA-GOSISDBHSA-N	415.419	6.459	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2321660750	OYMLFPMIGYNEGX-UHFFFAOYSA-N	408.331	5.602	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2cn(C)c3ccc(OC)cc23)SC1=S	2323850857	RMFIKHYYTIDYPJ-INIZCTEOSA-N	416.612	5.747	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccccc2)cc1	2332094478	JRXFHTSGPIIODV-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099403	RHDZXUJFJJEJCI-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
CC(C)C[C@@H](C)Nc1ccc(N[C@H](C)CC(C)C)c2c1C(=O)c1ccccc1C2=O	5424068	LOIONYUPSGYWKG-QZTJIDSGSA-N	406.570	6.155	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	6395041	STWMZNPSLDJAPB-LSJZCYCUSA-N	401.532	5.496	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(O)c1	13640308	QDJBRALZXBKBNQ-WZOHSFFVSA-N	415.489	5.382	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14461435	BFLYBHYHGLJMCE-OARDWFSCSA-N	410.561	7.152	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14545106	DIOQDDZAMMVPOX-NXHTTZLHSA-N	405.929	6.386	10	10	HKCE	
Cc1ccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)cc1	33320632	UMDCOSLFBZJQKA-UHFFFAOYSA-N	416.912	5.271	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(CCC3CCCCC3)SC2=NC1=O	97478411	ZEMARWSRINPWDB-DHTRNYPVSA-N	419.554	5.456	10	10	HKCE	
COc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)cc1F	109623275	OAMGOSHGCDEIED-UHFFFAOYSA-N	424.419	5.235	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=S	210228193	MEDNUVAZCLEXPK-YYMXQEISSA-N	415.923	5.002	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226736697	RLDVQZFVKIXUHP-WHSLLNHNSA-N	411.889	5.669	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385533892	ARQLETGLQPIYBG-QZTJIDSGSA-N	415.419	6.315	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	586482738	ZCKJJCQKJRUZLV-VWKPWSFCSA-N	405.494	5.471	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)c1	1860085602	DEFJMZAIMOTTLG-CPNJWEJPSA-N	411.548	5.358	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccccc2F)cc1	1865653998	DAUQOWXTNLHGTN-HZHRSRAPSA-N	414.480	5.281	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Cl	2079848616	KMXRLOUKWOIQBM-SFHVURJKSA-N	422.953	5.360	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CN)c2Br)C(C)(C)C)cc1C	2080006296	KIDYCENBYCQIRE-SFHVURJKSA-N	420.395	5.114	10	10	HKCE	
CC(Nc1ccc(Cl)cc1Cl)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683401	ZCIVOJMVZMIYQA-UHFFFAOYSA-N	422.315	6.130	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2c[nH]c3ccc(OC)cc23)SC1=S	2323850800	MGUXMLGDCKMHHX-HNNXBMFYSA-N	402.585	5.737	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1Cc1ccccc1Cl	2323865140	MCYUHAOVMRFWAV-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	14550059	JNBAAVGOJHPOBJ-NOTUOJBMSA-N	412.508	6.224	10	10	HKCE	
COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2Sc2ccc(Cl)cc2)c1	102935094	ZOGGHVBSOFJESG-RCCKNPSSSA-N	420.921	5.885	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2ccc(Br)cc2)c(Br)c1	110359227	XMEYVNNOFMESDZ-GFCCVEGCSA-N	412.169	5.128	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226700046	MCKQRHWUKLWHAW-IEGUWTFLSA-N	412.917	6.500	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	387285999	OYDMWYAISGXSSM-QGZVFWFLSA-N	403.408	6.142	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	1084539605	ISRQLCCSJHUDRS-JXCQQFQQSA-N	401.384	5.464	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	1860083918	FMCYCCHVNMXMLN-CXUHLZMHSA-N	404.900	5.216	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)OC(C)C)c3)C2=O)cc1	1860087015	VRQVPGCBIIRZDF-XDHOZWIPSA-N	411.548	5.220	10	10	HKCE	
CC(C)(C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Cl)cc1Cl	1866226677	HRDOWBHEIHHBQJ-UHFFFAOYSA-N	415.320	6.284	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2034701233	MAMMUHVHVQETBD-QGZVFWFLSA-N	401.392	6.056	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2c(O)cccc2Br)cc1	2089181733	MLRIPCIIDOJNLB-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332104959	IXDLJFSIXUGGOJ-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=O)Nc3ccc(Cl)cc3)[C@@H](C)CC)ccc21	3585196	BHHWUIWVJTXVMV-SFHVURJKSA-N	413.993	6.335	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635722	LSMFINFTPNZFQA-YZUZCNPQSA-N	402.538	5.394	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13645070	CJXMEAGHMRBKNC-ZEVJAHDQSA-N	415.581	5.595	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc1	14461611	NVUBKPFYXZLUSG-GCKMJXCFSA-N	421.799	7.320	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470278	RUOHBHHBWMBFQJ-CLCZQPDDSA-N	411.545	6.879	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475480	ZASLGYURTHHENS-OARDWFSCSA-N	403.525	7.245	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545009	AHSIWGNLIALKRP-MOSBNWHCSA-N	406.529	6.616	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14546560	SBNYZTMDXKDWIM-QZTZHPFYSA-N	408.328	7.612	10	10	HKCE	
COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3O)C2)cc1	20765057	PTHTVBWAAXPKKT-OFNKIYASSA-N	410.876	5.416	10	10	HKCE	
CC(C)(C)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-]	40645931	IFVRGUPTNCTCNU-OCOZRVBESA-N	406.450	5.259	10	10	HKCE	
Nc1ccc(Cc2nc3cc4sc(Cc5ccc(N)cc5)nc4cc3s2)cc1	59349896	OYWDOQHHBZAJPG-UHFFFAOYSA-N	402.548	5.252	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	251176881	SYPBPWPUKYHNHS-PLXFJCCSSA-N	408.545	6.094	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cc(Cl)ccc1Cl	1860084961	BLYWDSOUHXOEAS-VGOFMYFVSA-N	418.729	6.192	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(F)c1	1860087268	LJJAAPWZHIHSOQ-LHHJGKSTSA-N	402.274	5.677	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc34)cc2)SC1=S	2293328957	NJMKLMCYTKNJQS-UHFFFAOYSA-N	405.544	5.640	10	10	HKCE	
COc1ccc(C=CC(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	2313676632	MKZGGYQVPKWXEN-UHFFFAOYSA-N	416.506	5.637	10	10	HKCE	
O=C1SC(=Cc2ccc(O)c(O)c2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1	2314538284	BCRYHISWKSAHRJ-UHFFFAOYSA-N	415.776	5.011	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccccc3C(C)C)C2=O)cc1	2321666814	DGIARLFUQZXROW-UHFFFAOYSA-N	424.635	6.058	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(C3CCCCCC3)C2=O)cc1OCC	2323740073	RLROMUSMJKSVHO-UHFFFAOYSA-N	419.612	5.798	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(O)c(OCC)c1	2332094901	SVLBKMYSYLJVPB-UHFFFAOYSA-N	416.880	5.165	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(F)cc2F)cc1	2332129680	BNJUDDOUXAPQBS-UHFFFAOYSA-N	424.834	5.461	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)cc2)N=C1c1ccccc1	2332143627	UDANVWCCOQEJDJ-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(ccc(Cl)c4C)[C@H]4C=CC[C@@H]43)ccc21	13642456	UNTZAXUCPOXNRN-GGZJYHEGSA-N	412.964	7.603	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14458953	IZUIAUYTMUFVJT-GLDPYIMESA-N	412.489	5.480	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549394	RYEBGPRMZVCNAI-MRCUYLHHSA-N	404.513	6.179	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	20703232	LLJDMHPKUSZSEN-ZFGGDYGUSA-N	414.461	5.706	10	10	HKCE	
O=C1/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1Cc1ccco1	35515831	JAEPBGFPKLUDAE-XDHOZWIPSA-N	418.499	5.489	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C)N2)c1ccccc1	226887641	MADRRKGBQRSKAN-FKCDAAJZSA-N	408.545	6.488	10	10	HKCE	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(N=Nc3ccccc3)cc1)C(=O)C2	256020971	YHMQAVYUOSZXAQ-KSFYIVLOSA-N	411.527	5.239	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	1083987305	KPPXXRMLQPTCAB-PDGQHHTCSA-N	402.972	5.592	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1	1860073448	GQXQWUKQAYNTBS-CPNJWEJPSA-N	416.999	5.900	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)/C(=C\c2ccc(F)cc2F)SC1=S	1860084169	NWAWVSDOGOJJMN-OMCISZLKSA-N	411.882	5.341	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)ccc1[N+](=O)[O-]	1860087549	FYPDITUGZKVQET-OQLLNIDSSA-N	424.425	5.328	10	10	HKCE	
COc1ccc(C)cc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860486451	FFQNFNHAEUPCHW-CYYJNZCTSA-N	400.526	5.410	10	10	HKCE	
CCOc1ccc(CCN=NNc2cc(OC)c(Cl)cc2OC)cc1OCC	1860490969	FMSKNAWBXIVDHG-UHFFFAOYSA-N	407.898	5.176	10	10	HKCE	
Cc1ccc2c(C)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)oc2c1C	1866290312	CLLIURWVHIPWNX-UHFFFAOYSA-N	414.461	5.345	10	10	HKCE	
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc2ccccc2c1	2293771928	VPPQLHSLMLPODN-UHFFFAOYSA-N	421.543	5.306	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1CCCc1ccccc1	2297360132	TZWFXYOREZHPAM-UHFFFAOYSA-N	408.375	5.827	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3C)cc2)SC1=S	2297499993	COZKVTFDYBSBKV-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
CCOc1c(Br)cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc1OC	2297617119	DHMXTJYYOBQBHT-UHFFFAOYSA-N	415.283	5.146	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1	2321591052	IOIBUJPTLRJPNT-UHFFFAOYSA-N	417.939	5.313	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1cccc(Br)c1	2321614874	IIFOHWOQKHIBBT-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106827	LLXZBTZBIQEIPU-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
O=C(O)CC/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	9715252	GMOOWXWPYJPLOX-DTQAZKPQSA-N	423.494	5.210	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	13645067	CJXMEAGHMRBKNC-PPJWLVRDSA-N	415.581	5.595	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13645224	KAEXFUMMHDOLAT-NLJOTIRTSA-N	423.560	5.856	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458097	HUGTUZHZAMYDRO-BINBFKAUSA-N	424.610	5.515	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(C(C)C)cc2)N3)CC1	14463408	OHEHMBRGDULWOP-DPZBCOQUSA-N	414.593	6.509	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701639	UXMGBOVNICWEOZ-AGKSTNPPSA-N	417.336	5.664	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCCCC1	20756662	QIJQZQSOSNPUBK-XQBPLPMBSA-N	403.482	5.047	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1OC	33706419	AOWCJZRBTWXGLB-AQTBWJFISA-N	412.917	5.642	10	10	HKCE	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/C=C\c2ccco2)SC1=S	207332008	RZVJUMCICSNVAQ-SZNDKXPVSA-N	421.584	5.633	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C1CCCCCCCCCCC1	1858586448	JQOLODGXVWTJQJ-CAPFRKAQSA-N	422.059	7.215	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3Cl)C2=O)cc1	1860084553	SQWBHOGZQKYCCD-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@H](O)CC)c(Br)c1	1915399655	OLMKOPYAHMPDHC-YLJYHZDGSA-N	419.407	5.287	10	10	HKCE	
CC1(c2nn(Cc3c(O)cccc3Cl)c(Br)c2C(F)(F)F)CC1	2079827850	XTWVSRMXCIPHNE-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
CCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCCCC2)SC1=S	2314648352	XEDHUHIROFPMNQ-UHFFFAOYSA-N	411.596	5.226	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccccc3OC(C)C)C2=O)cc1	2332133632	INQBTACFCQZOHY-UHFFFAOYSA-N	412.489	5.317	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1OC	2332140139	FPZMFKZMTAGYCN-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147669	QJQZOENJVIPMIQ-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(C(=O)NC(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1	14461937	NQHIGWZEHINEFD-AWRGLXIESA-N	403.570	5.498	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	14475045	IGQNBRGLSNWWNX-NNMXDRDESA-N	423.297	6.271	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477669	XLAOLEFTBNDPDF-AUSJPIAWSA-N	401.337	5.958	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)c1	14480148	JOOXCKVNWFHVAA-FXSPECFOSA-N	408.545	6.691	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2	14545756	KFXHLQURZFAPFZ-VBURHUQHSA-N	410.945	6.304	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548311	VLFIQQLCORMUOH-WZOHSFFVSA-N	412.533	5.900	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712448	OLKRQNQNWYLUQD-SIFCLUCFSA-N	415.364	6.348	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364378	VINNVBUTIYRXRR-JTHBVZDNSA-N	410.876	5.416	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	111442431	DZMZLYGUBYBUBG-TVZXLZGTSA-N	401.937	7.054	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226684621	ZWFKUSRGSXVWBJ-JXALWOEJSA-N	424.610	5.515	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@@H]2C=CC[C@H]21	251172594	QIZZVVIVANRXPZ-RQTOMXEWSA-N	422.594	5.242	10	10	HKCE	
CN1C(=O)/C(=C\c2cc(N=Nc3cccc(C(F)(F)F)c3)ccc2O)SC1=S	254798011	RGXQUSFSUBFUMO-KUKWIGCUSA-N	423.441	5.657	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCN(Cc1ccccc1)Cc1ccccc1	390569534	RXDZEDHCTPWDII-RDGATRHJSA-N	414.593	5.931	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(Cl)cc2Cl)cc1	1865665596	BXNQKODNIKTPGG-DEDYPNTBSA-N	423.299	5.837	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865670947	AVTPQKLGYCSUPM-XDHOZWIPSA-N	412.917	5.328	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@@H]2CCC[C@H](C)C2)sc(C)c1-c1ccc(Cl)cc1	1866248391	XSVKOMGPJAIHSK-XJKSGUPXSA-N	419.974	6.318	10	10	HKCE	
CCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871253386	XNMJIJIIHHEJAA-UHFFFAOYSA-N	405.542	5.649	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)c2C)cc1	1874148017	YWSWQCXFBKMTQK-UHFFFAOYSA-N	417.553	5.591	10	10	HKCE	
C[C@H](O)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1931961319	SAMATPIMIXRAMG-FQEVSTJZSA-N	408.973	5.532	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2034819022	STFGXJCHTUCLKE-KRWDZBQOSA-N	401.392	6.069	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	2095921156	QIXRHZVEDILBIE-UHFFFAOYSA-N	417.435	6.390	10	10	HKCE	
CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S	2297499355	VGRHPEBBSYBJRH-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1	2314720619	UMTOVWDUIKAPGE-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1cccc(F)c1	2332104720	KTPKGRCSSPKTRL-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134292	GKVJEBHQPIPLQB-UHFFFAOYSA-N	411.889	5.447	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141604	JUMKFLIBZILTQR-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(C)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642185	WGKJGYOSMKYXKL-AHPZTNMXSA-N	406.529	6.844	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCOCC1	14464134	GIVWNWMSUYFBKX-NIRIFSCTSA-N	410.517	5.139	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14470687	UXAFGEAVAHKUNZ-MRUHUIDDSA-N	412.873	5.642	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14480394	JMUBKEXAWIKJQM-JPYHZWLXSA-N	408.545	6.393	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	14545144	YWHHCIAGUJEUCH-JDRJUVJTSA-N	411.549	6.011	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14550879	QIJQZQSOSNPUBK-NNMXDRDESA-N	403.482	5.047	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20759111	ZSQOBVKHEWAYEM-LGVFNWMJSA-N	418.606	6.251	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(C)cc1	33571396	YRHOSSYRHUPJNW-AQQMCFPLSA-N	422.484	5.613	10	10	HKCE	
COc1ccc(/C=C2\N=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1	34913967	WJMBKYHKMWEVMN-MOHJPFBDSA-N	404.469	5.683	10	10	HKCE	
COc1ccc(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621712	NARIXDPBMJSXGT-NRFANRHFSA-N	405.885	5.507	10	10	HKCE	
COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1cc(Cl)ccc1O)C2	55120359	FHNMYZIXULGVTO-UHFFFAOYSA-N	409.913	5.424	10	10	HKCE	
CC(C)CNCc1ccc(N(C)CCCOCc2ccccc2)cc1Br	384166534	MWUHJTAQKGBXRI-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1cccc(Cl)c1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910932	OZHGMOIBGSSXJQ-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860083911	DWFDATVBAIBPPO-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	1860084836	PMNPTOQISYQPEB-LICLKQGHSA-N	422.402	6.697	10	10	HKCE	
O=C1/C(=C\c2cccc(Br)c2)C(c2ccccc2)=NN1Cc1ccccc1	1865657005	ZIQHEARZIWMWFO-QNGOZBTKSA-N	417.306	5.279	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865670002	CIJRBUBGTIEVFA-KQWNVCNZSA-N	416.908	5.569	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1	1865670307	SRJPCFBWLOMOBF-XMHGGMMESA-N	414.908	5.850	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1cccc(Cl)c1	1865679916	MZOMSKMYQGXOMU-MOSHPQCFSA-N	403.825	5.083	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(C2CCCCC2)cc1Br	2070057640	GYWOXZSLWHNJDA-UHFFFAOYSA-N	403.242	5.466	10	10	HKCE	
Oc1ccc(C(F)(F)F)cc1Cn1nc(Cl)c(Br)c1C(F)(F)F	2079213667	LXHKCKSJBQGMPA-UHFFFAOYSA-N	423.538	5.091	10	10	HKCE	
COc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2080008282	YYGCVNNNIUEIEI-SFHVURJKSA-N	421.335	5.075	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(C(C)C)cc1	2294028497	OKAIYTIXOVZLQY-UHFFFAOYSA-N	405.494	5.086	10	10	HKCE	
CC(C)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1	2296397957	JKCPEQIRJUXCGR-UHFFFAOYSA-N	416.865	5.014	10	10	HKCE	
COc1ccc(C)cc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330234381	FFQNFNHAEUPCHW-UHFFFAOYSA-N	400.526	5.410	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1F	2332129674	AZNQGHVULDGHFM-UHFFFAOYSA-N	407.670	5.043	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1	2251168	IHVLDDKYAGWRGT-DEDYPNTBSA-N	413.564	5.274	10	10	HKCE	
CCc1ccc(NCN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1	3657121	XEHPOJCGXZKEFF-YVLHZVERSA-N	423.390	5.827	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462655	ZFIFPFVCBFKAHA-FXSPECFOSA-N	408.545	6.889	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14465512	XBXXTPJIYUGYFK-ZEVJAHDQSA-N	407.985	7.516	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473437	AHTHTPYFMPWELD-GCKMJXCFSA-N	411.889	5.669	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	20072908	ZNBVGXURRJASJK-CXUHLZMHSA-N	423.390	5.881	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1	83262937	CUKDMYHXBNLVLU-ULJHMMPZSA-N	403.481	6.320	10	10	HKCE	
CCOc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=S)c2ccccc23)cc1	104639078	HBPFJMQWBKBLGE-DEOSSOPVSA-N	401.556	6.487	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899308	DQAPWOYCPJOBJF-MQNCWCGJSA-N	419.568	7.854	10	10	HKCE	
CC[C@@H](NCC1(CCOCc2ccccc2)CC1)c1cc(Br)ccc1O	702877483	FNEKRWLQCNNXND-HXUWFJFHSA-N	418.375	5.583	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	1860074709	FTNGOXHXGWHIRO-KGENOOAVSA-N	420.603	5.909	10	10	HKCE	
Cc1cc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-]	1860488653	YWNGLSOCRRQKNH-OCEACIFDSA-N	415.497	5.309	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865656809	SPRXDGHJJQNRLV-STZFKDTASA-N	407.300	5.824	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cc1OCC	1865666845	VNHNORRWJRQNHQ-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)c1	1865678624	VLTUNNWRPVQZFY-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2034788093	PLUZBGWCPCRSCP-QGZVFWFLSA-N	403.408	6.172	10	10	HKCE	
CCCNCc1ccc(N(CC)CCCOCc2ccccc2)c(Br)c1	2096851245	UHZHUELFOURLCV-UHFFFAOYSA-N	419.407	5.382	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@H](C)N)c(Br)c1	2156994888	MTPIEBWRGRVNHD-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2231452621	NFJVLNMFXQHXKP-OALUTQOASA-N	417.435	6.388	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	2297232872	KXWUEAXYCNIRLA-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C=Cc3cccc(Cl)c3)cc12	2297333275	SZQAJIFPRANXMX-UHFFFAOYSA-N	419.956	6.085	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=S)N1c1ccccc1	2314489649	UKJLYILXZKNKNW-UHFFFAOYSA-N	408.460	5.897	10	10	HKCE	
CCCCCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2C)cc1OC	2332114361	UDDACQQCBVTHCC-UHFFFAOYSA-N	423.351	5.038	10	10	HKCE	
COc1cccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332141549	DDYWUBYWDNXKTQ-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14460587	QXHANFUCRRMQGG-FXSPECFOSA-N	407.985	7.516	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	14460839	KPVDZFXLJBSEEU-OAVHHTNSSA-N	411.126	6.288	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14546797	KCMKATGDZOBJGM-RQVMVGKASA-N	413.348	6.056	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1	14552248	NWROXHYAIKXOSA-FBLLAGFSSA-N	418.606	6.107	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20700511	OUANEEOYRIOZGH-IECBHUPTSA-N	420.984	6.571	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)o1	58832948	QWVXLPBQALFVPM-STZFKDTASA-N	401.422	5.223	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226723965	CPKBACYWVWHNFU-DBXWQHBBSA-N	416.974	5.243	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226809715	UVMCKCDLPVBDBU-DXBVXKBHSA-N	411.545	6.533	10	10	HKCE	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21	252626704	REBIUGDNJNRIIZ-UHFFFAOYSA-N	405.457	6.978	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(C)CCCOCc2ccccc2)cc1Br	384049140	RUOYZNFBFMKXRF-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3c(F)cccc3Cl)C2=O)cc1	1865664618	VGAVTEVDZKGJCW-ZHZULCJRSA-N	404.872	5.618	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664963	UVKBVJYXUBJVIE-AWNIVKPZSA-N	414.119	6.102	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3[nH]2)cc1	1872734784	XRZSLTKLOKYNSF-UHFFFAOYSA-N	412.537	5.945	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1Cl	2053623218	MHSMLGAOTAEQSW-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cn1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21	2296453319	NHIQOVAXLPQVHT-UHFFFAOYSA-N	418.465	5.603	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2)C=C1c1ccccc1	2296737798	TYGJNODRSXMDKD-UHFFFAOYSA-N	416.318	6.229	10	10	HKCE	
CC[C@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O	2297335376	ASLFECDDMLBLEM-HNNXBMFYSA-N	413.564	5.147	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1Cl	2318756776	SQYMSJTXBRISHG-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321644018	SYEXBMZFUQJENP-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)cc1	2332130654	LZAXBGCEXDONAH-UHFFFAOYSA-N	423.560	5.671	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)N1CCCCCC1	4819005	WELPSTDHUUCDBA-IMSXRSKXSA-N	417.509	5.438	10	10	HKCE	
CC(C)[C@@H](C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	6564327	UWINOIRLQDHVIM-VQAHOFKPSA-N	402.454	6.389	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@@H]3C)cc1)CCCC2	6877904	HLHRCNUSDQNJBQ-PMACEKPBSA-N	407.602	5.047	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13636330	HSAMPRTZNOBWDC-WRALFONMSA-N	402.538	5.538	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456618	MYYBWSCEISFWAM-ZJCBTPCYSA-N	414.574	6.155	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462135	ZDIWWFBUIWRWNG-BXTSTYNKSA-N	424.588	6.938	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@H](c2cccc4ccccc24)[C@H]2CC=C[C@H]32)CC1	14464229	QRSKBPNEYOQXRJ-RZPFDVGOSA-N	423.560	5.054	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469709	IHWDJQXAOWMCJY-ROKPMTFOSA-N	416.452	6.139	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476407	NUTSASCGJZGAEB-CUVVAGTFSA-N	412.489	6.309	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477122	KFQAFUUSZXDYPX-LRDNONRASA-N	401.337	5.958	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@H]21	14544238	DPZXAUGVJRXORF-NTOOTBGVSA-N	424.544	5.911	10	10	HKCE	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1ccccc1Cl	34765548	BZVWNJYVLFOKPM-UHFFFAOYSA-N	420.317	5.166	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374359	OPYCGPNRMNLGAO-OBTVHEKISA-N	406.485	7.036	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(N)=O)cc4[C@@H]4C=CC[C@@H]43)ccc21	226796825	XXAFCHFACQILFH-FXABVQRQSA-N	407.517	5.740	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	251481467	OVAMUJKZQMGGBN-DPPFLCKZSA-N	408.545	6.313	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(C3CCCCCCCCCCC3)C2=O)cc1	1858587040	YSQZVJRMHCERQF-RELWKKBWSA-N	415.668	7.124	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	1860087849	WPJGJOPUFXZLHR-MHWRWJLKSA-N	409.454	5.553	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C(F)(F)F	1865667149	HVFAJHWRNUQNPS-UYRXBGFRSA-N	410.395	5.505	10	10	HKCE	
CCCCOc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871107914	LCVPMCFBHWRLLB-UHFFFAOYSA-N	419.569	6.039	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CCC3CCCCC3)C2=O)c(C)cc1OC	2297561677	SHYFCNGXEXFFJV-UHFFFAOYSA-N	419.612	5.574	10	10	HKCE	
Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)c(O)c1Br	2307473205	QWTGPSZALDGOJQ-UHFFFAOYSA-N	402.254	5.418	10	10	HKCE	
Cc1ccc2cc(C3=CC(=Cc4c5ccccc5cc5ccccc45)C(=O)O3)ccc2c1	2313518044	YKPTUPSVCTXHFM-UHFFFAOYSA-N	412.488	7.436	10	10	HKCE	
CCCCOCCCN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323744020	PQSXACCBXRXKHV-UHFFFAOYSA-N	403.491	5.113	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S	2323850938	YSYIVGLEPBFGKI-MRXNPFEDSA-N	407.601	5.654	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	2332107674	SYCINSXKINVECN-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	1761569	BEEVPGDVKXPIBI-PVJXBVBWSA-N	406.359	6.346	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465013	ZASZXOAQPJTUQP-DXIQSLLYSA-N	416.974	5.197	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549125	KBPHXYMUPXMJSX-ISJBWFOZSA-N	416.351	8.126	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	20704819	HLZSALSDZRWUBC-YVHKJVDXSA-N	423.900	5.311	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226781266	BQHQICPWQPKSAH-PSRHSGHMSA-N	424.544	6.013	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1F	1865673383	BHPGGCGBIILXGL-OQLLNIDSSA-N	407.670	5.043	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677245	ZLDGBVLPFFUHIG-OQLLNIDSSA-N	404.253	5.488	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1	1865966002	WDGRFTBEMNDDLV-UHFFFAOYSA-N	424.478	5.287	10	10	HKCE	
COC(=O)c1c(NC(=O)CC2CCSCC2)sc(C)c1-c1ccc(C)c(C)c1	1866195283	UBMGLSFBIKWABE-UHFFFAOYSA-N	417.596	5.599	10	10	HKCE	
COC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc(C)c1-c1ccccc1	1866221970	RGZKBGKQUSFMOB-UHFFFAOYSA-N	419.546	5.961	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)cc1	1866289233	BVSRKPNVUDBGPG-UHFFFAOYSA-N	420.468	5.372	10	10	HKCE	
O=C(O)C=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Br	1881666626	BBTIGANJXPWGHS-UHFFFAOYSA-N	422.322	5.754	10	10	HKCE	
Cc1c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)sc2ccc(Cl)cc12	1892044000	OZFNTDWMLHZIOW-UHFFFAOYSA-N	420.968	5.787	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNCc1cc(Cl)cc(Cl)c1O	2184315252	IJIBWFMIPIKYMG-INIZCTEOSA-N	417.377	5.214	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc2c(-c3ccccc3)ccnc12	2296233735	LMHXJABREHRSDB-UHFFFAOYSA-N	404.473	5.620	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC	2321661038	XZSDZIBVYUAEMV-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccsc3)SC2=S)c1	2321717919	MLMBKLSLELKPRG-UHFFFAOYSA-N	403.550	5.111	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1	6871480	QXHPWHWYTHANQF-LKUDQCMESA-N	416.568	7.359	10	10	HKCE	
CC[C@H]1SC(=S)N(CCCCCC(=O)Nc2ccc(Cl)cc2Cl)C1=O	11636717	GMZVGIXQRYQJKX-CQSZACIVSA-N	419.399	5.131	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2)N3)CC1	14460630	GYIXTIZJQIPJHO-LGVFNWMJSA-N	406.957	6.039	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549407	AKLLLLDXVQBUGS-DHDFKREGSA-N	419.568	7.998	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2cc(O)ccc2O)c(Br)c1	20487316	ANMRKZVMBUUYGX-SECBINFHSA-N	401.098	5.104	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20719133	GVVVYBGUVWTBBV-ZVOVDXHFSA-N	412.533	5.815	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1	100503794	QYKWJXMHDGWAIF-FWPHUCDGSA-N	402.237	5.264	10	10	HKCE	
Nc1c(C(=O)c2ccc(C3CCCCC3)cc2)ccc2c1C(=O)c1ccccc1C2=O	207275878	LBOZKVSEJLKUNR-UHFFFAOYSA-N	409.485	5.323	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226712222	POBILPMSIQMFII-KNOQFWTLSA-N	416.952	7.058	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1860083967	IUYMXYUMRYWKLV-OQLLNIDSSA-N	404.900	5.271	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	1865658964	XGEZTRLIVVKTRK-QJOMJCCJSA-N	412.508	5.953	10	10	HKCE	
CN1C(=O)C(=CC=C2N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S	2295148749	FSHIAPSEJJTCPY-UHFFFAOYSA-N	406.576	5.339	10	10	HKCE	
CC(C)c1ccc(OCc2ccc(Br)cc2)c(/N=N/c2ccccc2)c1	2295356019	DZJBZUNENFUFCF-OCOZRVBESA-N	409.327	7.567	10	10	HKCE	
CCCN1C(=O)C(=CC=C2Sc3c(ccc4c3CCCC4)N2CC)SC1=S	2297550873	PZGHEIYOCYMTCE-UHFFFAOYSA-N	416.637	5.493	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cccc(Br)c1	2332097939	IMBHCNQPRLKTDS-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103868	FIPIBNKZIXZWKY-UHFFFAOYSA-N	401.337	6.192	10	10	HKCE	
Clc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14464854	RTQZHQDYROZZRV-RLFYNMQTSA-N	407.682	5.771	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21)N1CCCCCC1	14466298	RIIZAYKZASOHEE-IUKKYPGJSA-N	406.957	6.183	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469587	NBJIZZSOUCMFEN-STWLZBDKSA-N	422.355	7.399	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@H]21	14544875	WIYNHHFDVCJJIA-SWGGMNADSA-N	419.528	5.924	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCC)N2	14545759	KFXHLQURZFAPFZ-NXHTTZLHSA-N	410.945	6.304	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547043	PVGYDJNIFCCCTG-XCGNWRKASA-N	415.364	6.350	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1	20697912	ZDBBQYFTXVDHDX-LGVFNWMJSA-N	424.610	5.713	10	10	HKCE	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cc(C)c(C)cc1C	206939850	FAGAJJOFHCGJHJ-JAIQZWGSSA-N	413.564	5.078	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226737396	ZGZPEUFMBNEJBK-XFQAVAEZSA-N	404.337	6.704	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CN(Cc2ccccc2)CC12CCC2	693678924	GKQQIQRWONAXHF-SFHVURJKSA-N	405.369	5.091	10	10	HKCE	
O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1	1858590714	FWGNTASWJYAQFY-VIZOYTHASA-N	424.330	5.093	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1OCC	1865665261	KEXIZDKNCARNMD-LFIBNONCSA-N	416.880	5.078	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cc(C)ccc2O)cc1	1865665893	REVUWOWPPJGPOS-FYJGNVAPSA-N	418.880	5.197	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C)cc1	1873835337	OKVBSYNBRAJZSL-UHFFFAOYSA-N	407.945	5.018	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1Br	1915769841	KKEDXTRDHBQZTE-KRWDZBQOSA-N	419.407	5.287	10	10	HKCE	
O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(Sc2cccc3ccccc23)o1	2297348004	CEPJKFDAQFVSJZ-UHFFFAOYSA-N	412.470	5.045	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1OC	2297461672	AOWCJZRBTWXGLB-UHFFFAOYSA-N	412.917	5.642	10	10	HKCE	
Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)o1	2297561176	PHUUQWBXVRTFKW-UHFFFAOYSA-N	419.458	5.190	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1Cc1cccc(F)c1	2332104897	CQTYUFLZUMKMKQ-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	2332119549	PLKUACULTAWYEW-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1ccccc1Cl	2332128037	JPTTWMZGVCFIFQ-UHFFFAOYSA-N	403.791	5.165	10	10	HKCE	
Cc1ccc(CN(C)[C@@H](C)c2cc(Br)cs2)c(O)c1Br	2380765404	LYQHACYVTDXRDC-JTQLQIEISA-N	419.182	5.480	10	10	HKCE	
COc1cc(C)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C(C)C	2980580	UTPPFDCTXJKYEU-KGENOOAVSA-N	411.592	5.571	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(NC(C)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642056	DJUOXAYKSIWRDK-IKCVQBBRSA-N	421.544	6.599	10	10	HKCE	
Oc1c(Cl)cc(Br)cc1/N=N/c1cc(Cl)c(Cl)cc1Cl	13980765	XLGIYRLHRHUGKH-VHEBQXMUSA-N	414.901	7.184	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14476931	BBXNZZDDEFTMPE-PDSXEYIOSA-N	402.321	6.387	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477282	CGEDYAKASCUVAJ-PDSXEYIOSA-N	401.337	6.414	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546161	YYJOCGZEKWCIPH-NYWXEVPUSA-N	424.544	6.013	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20692168	SRQJNBHRBAYZBJ-PLXFJCCSSA-N	408.545	5.794	10	10	HKCE	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1	34377497	VDJVJLNAIBGNFP-JCMHNJIXSA-N	412.445	5.081	10	10	HKCE	
CCCCOc1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1	54620186	MQIJRIFXYISZLP-DEOSSOPVSA-N	413.521	6.024	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1cccc(F)c1	96564079	NTBWWOKIFPRNGA-CHHVJCJISA-N	413.326	5.403	10	10	HKCE	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)s1	222267422	QLVDIYBGZNAKQG-LGMDPLHJSA-N	402.972	5.327	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891869	PZWJTHRVEYAULM-UHFFFAOYSA-N	421.855	5.310	10	10	HKCE	
FC(F)(F)c1cccc(CN=NNc2ccc(I)cc2)c1	1860491395	ONWVRFWZVUBAKD-UHFFFAOYSA-N	405.161	5.289	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664433	CYDCESIYQFCSEI-MHWRWJLKSA-N	407.728	6.229	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865669508	MSIKBZANWNEUJS-JCMHNJIXSA-N	402.881	5.573	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c2ccccc21	1865670587	HRVUQPSEFUFKLQ-HMAPJEAMSA-N	411.892	5.666	10	10	HKCE	
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(=S)N1CCc1ccccc1	2296681939	CLGPLTHKNPLZEX-UHFFFAOYSA-N	417.555	5.923	10	10	HKCE	
Cc1cccc(NC(=O)CCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)c1	2296882538	YSQOHPFAMZIPFB-UHFFFAOYSA-N	422.575	5.171	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc2ccccc2n1Cc1ccccc1F	2297314833	WLJFHOOWKQKXDG-UHFFFAOYSA-N	409.464	5.635	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c(O)c1	2321628913	DLYZEEDKKXZACF-UHFFFAOYSA-N	424.316	5.008	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S	2321635607	ZHCFUSOCUFBRHC-UHFFFAOYSA-N	418.971	5.129	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@@H](C)O)cc2Br)c1Br	2369667276	KWTKXZHDMHIAKV-SECBINFHSA-N	419.182	5.271	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)cc1	2812545	FCCLCZHYFFHBSB-HEHNFIMWSA-N	410.608	5.367	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3O)C2)cc1	9541294	SACYCUBACUGWEK-JTHBVZDNSA-N	421.338	5.686	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465204	RLEPVHWGFAXGLL-OZIGNCPNSA-N	408.929	5.075	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14545134	PWHCFVPOEBEQNR-JDRJUVJTSA-N	413.565	6.257	10	10	HKCE	
CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2O)N1	58138651	RQINJMCSECHCFR-OZXSUGGESA-N	400.522	5.576	10	10	HKCE	
CC1(C)CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)N(C(=O)OC(C)(C)C)C1	687002070	HNBBBTPRBDLAQU-HNNXBMFYSA-N	417.377	5.214	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1CCC1=CCCCC1	1858590725	GHGNHHSEBFDQAE-LFIBNONCSA-N	408.932	5.340	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(Oc3ccccc3)cc2)cc1OCC	1860491992	ZKQFWNCCDHKSGE-UHFFFAOYSA-N	405.498	6.298	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1ccccc1Cl	1865666661	RBMPARCZMOPWLS-LGMDPLHJSA-N	409.272	5.534	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccccc1	2294732693	BUXFBFWFVLUPAB-UHFFFAOYSA-N	417.555	5.667	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1	2297242774	QTLJZNHBAVPMTP-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccccc3Cl)C2=O)cc1	2313682627	HOIHQQZMPPLNEH-UHFFFAOYSA-N	417.896	5.486	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1	2321638234	UGADXYRTQPAJJW-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1cccc2ccccc12	2321698363	UBAWIZHUYBQAFB-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)ccc1F	2321710510	JSQFGGRYCKIFPB-UHFFFAOYSA-N	420.534	5.526	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)cc1	2332099308	HLDWOGWTHKYNCX-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cn(C)c3ccccc23)cc1	2332128864	LKSRMKYJVJLFPS-UHFFFAOYSA-N	421.500	5.017	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	2332130430	AJGCPRVXDCSXAH-UHFFFAOYSA-N	421.850	5.535	10	10	HKCE	
CCN1N=C(c2ccccc2)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C1=O	2332131877	PEJZBAISBGRKTL-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	13637508	PWCLRDPFTLQHLL-YZUZCNPQSA-N	402.538	5.623	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545208	CXHOOXHXZYMGKG-HEKZAOSPSA-N	405.501	6.247	10	10	HKCE	
Clc1cccc(Cl)c1[C@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21	14546905	BHWOZERBODOCAE-JHQQDIAJSA-N	416.348	6.378	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccnc2)[C@@H]2CC=C[C@H]32)cc1	14547445	HGNNSUOJJXSWSL-IMSXRSKXSA-N	411.505	5.559	10	10	HKCE	
COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C	19629048	UBFBBQGCUOOFJG-MDWZMJQESA-N	417.509	5.021	10	10	HKCE	
CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	33409227	HGCWZMJVBZAOTK-HIPMGEKLSA-N	421.946	6.062	10	10	HKCE	
O=C1S/C(=C\c2ccc(-c3nc4ccccc4s3)o2)C(=S)N1c1ccccc1	34106508	DTDPVAAQVFUQNY-PDGQHHTCSA-N	420.540	6.598	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226724393	GULDTMJECVYPMS-GJLBYMJHSA-N	416.974	5.243	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1	253559961	AFLVJSJCGOFTTI-VMZKFXSFSA-N	407.642	6.540	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2sccc2C)N3)c1	253563343	FIPGFEXYBLCIGW-VIZSFHNOSA-N	400.547	6.444	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1c(O)cccc1O	312167675	HOANFNZWUZLDDI-ZETCQYMHSA-N	421.516	5.449	10	10	HKCE	
C[C@@](CO)(Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1	386986161	YSTCLFMRJLZTSR-QFIPXVFZSA-N	412.327	5.348	10	10	HKCE	
COc1ccc([C@@H](C)NCCCN(Cc2ccccc2)Cc2ccccc2)c(O)c1	390593689	RDKPQDJQOKFSPF-OAQYLSRUSA-N	404.554	5.144	10	10	HKCE	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NS(=O)(=O)c1ccccc1Cl	1615730891	RGPBFHUYUSPKHF-GHVJWSGMSA-N	414.874	5.266	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1Cc1ccccc1Cl	1858591441	MCYUHAOVMRFWAV-RIYZIHGNSA-N	414.766	6.048	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2CC)c1	1865668628	IMGULERLKQEAEA-XMHGGMMESA-N	413.315	5.434	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676694	LGGPMIJUNJFMAD-XIEYBQDHSA-N	410.517	6.160	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccccc1	1865768713	XEBXAYZUAIJKKQ-UHFFFAOYSA-N	424.478	5.369	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@@H](C)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1	1866161408	YZFGHOHJQWBOKT-MRXNPFEDSA-N	422.550	5.654	10	10	HKCE	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c(C)cc1Cl	1891287449	FFISIFVXUSYEGS-UHFFFAOYSA-N	414.886	5.159	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(Oc2ccc(F)cc2)c1	1891724157	GHZSCFRTOXUTNO-CVDCTZTESA-N	416.496	5.537	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c(Br)c1	1914857400	NEUCQXQXXFKWAQ-HOTGVXAUSA-N	416.384	6.332	10	10	HKCE	
CC(C)c1nn(Cc2cc(Br)ccc2O)c(Br)c1C1CC1	2079747030	VJOWMXCRYOERLX-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S	1411643	HNWKFPXFHZCXSO-AQTBWJFISA-N	409.557	6.145	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc1)CCCC2	6877914	JUAZKRDYNAMHSP-UHFFFAOYSA-N	402.538	5.382	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1C(=O)O	8828323	BMIJMGYULSZLRU-QDJKKUJYSA-N	415.923	5.222	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639071	FBINUTNWXBDZNT-ABSDTBQOSA-N	411.343	5.414	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458176	NDMQJAXUYDFISY-IFOBJOEFSA-N	416.565	5.347	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462279	QBORNAJWSJUHFN-ZEVJAHDQSA-N	417.597	5.889	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14466447	UNVLSDIXVDXOPY-ISJBWFOZSA-N	417.936	6.624	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473273	QJOQQLQXAFOCTC-HYFFOGBASA-N	414.889	5.490	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@@H]21	20697426	XNKRXNCWSOATAO-TZBSWOFLSA-N	417.597	5.889	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@@H]2C=CC[C@H]21	20713844	KLHIASGVBZGOBM-RQTOMXEWSA-N	422.594	5.433	10	10	HKCE	
CC[C@H](N[C@H](C)c1cccc(Br)c1)c1cc(Br)ccc1O	36919966	RTKJRYYLAXAGMA-BZNIZROVSA-N	413.153	5.719	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccc(Cl)cc1	96505109	NVBOXAIKGJHWOO-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
CCCCC1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1	103561927	BQEQMGMYNDICTA-KBQFJHCTSA-N	424.551	5.549	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226874188	ROWLINWKRDDIEJ-SLSDLSHTSA-N	416.565	5.928	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526175964	MXBNUWOHIYACCA-JOCHJYFZSA-N	406.432	5.088	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858588420	DKXHGOONWZNOPD-YSCVBHJMSA-N	412.407	6.019	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccccc1F)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917344	NVGOHYMHUQNJNE-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1	1860086062	HWYGQUMEHWALRV-HMMYKYKNSA-N	413.564	5.757	10	10	HKCE	
C[C@H](N)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	1946807887	FUBKUBVUFHPQOL-ZDUSSCGKSA-N	401.270	5.428	10	10	HKCE	
O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2293139937	ZAZGSLHWCOKTRH-OAHLLOKOSA-N	424.330	5.021	10	10	HKCE	
O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccccc1	2296880232	XMGGGKOWSSBGQU-UHFFFAOYSA-N	410.564	5.087	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1C(F)(F)F	2313610326	VOGNWCBMOWFXRB-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CCCCCN1C(=O)C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	2314717495	ILOOGWPXNVXWIE-UHFFFAOYSA-N	422.575	5.308	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)cc1	2318755953	DTQWQUJLZUYOAP-UHFFFAOYSA-N	414.621	5.661	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1	2321698197	HGLUUXVGVPSCIV-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OC	2332125668	ASWKZTCWEKVQHV-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14467004	VVFACDGOHVZMEB-IEGUWTFLSA-N	424.327	7.318	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@H]21	14546184	QBOZCCQNVCNLGQ-GLDPYIMESA-N	402.538	5.538	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	20753396	KCTFBQCMQXJCDK-VHSZZVNMSA-N	407.513	6.837	10	10	HKCE	
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccc(Cl)cc1	40839744	FGRYMPXYACGZIU-PDGQHHTCSA-N	424.934	5.039	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363160	TVLOMLSHPIIMCD-UPVQGACJSA-N	424.903	5.806	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(F)cc1	59379247	XDRJZZAZABMZBO-OVCLIPMQSA-N	413.326	5.403	10	10	HKCE	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1	59396479	NLAVWLBEVJODPH-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	102036861	PRDTZVVKUTZAPD-HZHRSRAPSA-N	407.473	5.007	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226840035	IRYTUMOSWNZBML-MVERNJQCSA-N	412.533	5.433	10	10	HKCE	
C[C@@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2	242681118	CUVNCTHBPJNHCI-KNEUKCCGSA-N	405.611	5.886	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526223400	AJFMJCDYNHKOBG-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNCc1cccc(OCc2ccccc2)c1	715811426	FEINCCGICPOVOP-UHFFFAOYSA-N	416.290	5.163	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccs2)cc1	1865670541	FKVBNMXZUHYPBM-CJLVFECKSA-N	410.498	5.744	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1Cl	2080031241	ZEUVZPYWUBNTFJ-HNNXBMFYSA-N	416.827	5.054	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)c(Br)c1	2231452691	WLEVVWUFVVSRPH-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1	2294732813	VRIFQXWFSMSRAV-UHFFFAOYSA-N	424.978	6.153	10	10	HKCE	
CC(C)(C)c1ccc(OCc2ccc(Cl)cc2Cl)c(/N=N/c2ccccc2)c1	2295356121	LYXQWSCLWRFQAK-CYYJNZCTSA-N	413.348	8.285	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1	2296453250	BSAGUZDIUOBWEV-UHFFFAOYSA-N	417.555	5.667	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1ccc(F)cc1	2297624978	SGPFFLYPDUJBJM-UHFFFAOYSA-N	415.898	6.145	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323888684	CZBGUHYZIUZYGP-UHFFFAOYSA-N	424.425	5.015	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2cccs2)cc1	2332127526	GKJGOLYQUCACRW-UHFFFAOYSA-N	408.910	5.240	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2ccncc2)cc1	2332129629	WJMQWXKMMXKSQH-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1CC	2332133317	ZQZZJXWSVYHACS-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332148201	LEEZLJYASLDPNE-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
C1=C[C@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3cccc4ccccc34)[C@@H]2C1	14464352	ZPBYFTKKBBOIFP-AHKAMDFCSA-N	417.552	7.288	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2)c1ccccc1	14479080	MADRRKGBQRSKAN-OASJLCFRSA-N	408.545	6.488	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14543355	ROWLINWKRDDIEJ-WRALFONMSA-N	416.565	5.928	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14544000	KPMVVNJQFLAJMG-MOMDTQCHSA-N	418.540	7.419	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546314	ZZHMYGGIJGYHET-BERHBOFZSA-N	411.545	6.533	10	10	HKCE	
COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	20071201	SULFABMBIPMFDQ-AUSIDOKSSA-N	422.868	5.002	10	10	HKCE	
Cc1c(/C=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc2n1C	83312841	BUOAQQQNIHWMLZ-MSUUIHNZSA-N	405.501	5.415	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226863282	BUSPBABKZPLKME-YYKHGQQCSA-N	419.568	7.997	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226896453	WARLQDDPAIVKEA-MSYCTHLASA-N	422.575	5.400	10	10	HKCE	
Nc1ccc(N(C(=O)Nc2ccccc2Sc2ccccc2)c2ccccc2)cc1	244024566	SQXPGFDRJBGFDO-UHFFFAOYSA-N	411.530	6.790	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	309762361	AILYBTZTCAIXHE-UHFFFAOYSA-N	409.371	5.765	10	10	HKCE	
CC(C)Oc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1	526343775	POWBNBRPQFCACK-NRFANRHFSA-N	423.490	5.004	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668271	OPSSYTYCDQSFNA-BUVRLJJBSA-N	400.453	5.206	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865679037	QYXVOZJVEQJJMF-NTEUORMPSA-N	413.226	6.208	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2c(Cl)cccc2s1	1874179794	PWBUIQGQZRJGTH-UHFFFAOYSA-N	417.873	5.582	10	10	HKCE	
CN[C@@H]1CCCc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)ccc21	2012683415	KSWHOPBQFTVYGB-MUUNZHRXSA-N	413.609	5.422	10	10	HKCE	
COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1Br	2078979936	VUBGNFPTJLVNBG-KRWDZBQOSA-N	423.351	5.205	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	2321647823	FZMCWIKVOPFWAS-UHFFFAOYSA-N	424.635	6.236	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2323680948	YCBOPIZPQSARPS-WMEZAQDKSA-N	401.597	5.501	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c1	2323865172	QXOQNMBWAHJOMJ-UHFFFAOYSA-N	403.956	5.529	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116527	YACDBKJSJGEPNE-UHFFFAOYSA-N	402.881	5.725	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14471975	UIFDJJSMJVRYOT-JTAQYXEDSA-N	417.509	5.438	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21)N1CCCCCC1	14478171	PUWUFPAPGHXULS-BSRJHKFKSA-N	417.509	5.438	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1OC	14479333	DXDDPOLUNLBEBR-ZKTNFTSUSA-N	410.728	6.491	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccccc2C)C1=O)=C\c1ccccc1	15045606	FGBGYBBVNGVORW-PYOMRRKWSA-N	422.575	5.170	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3Cl)c3ccncc3)c(O)c2n1	54621902	OSAUYOQRYCSZTR-HXUWFJFHSA-N	410.304	6.152	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	226903364	SHCMSJHJLUJLOR-MSYCTHLASA-N	422.575	5.053	10	10	HKCE	
c1ccc(-c2nc(N=Nc3ccc(C4CCCCC4)cc3)[nH]c2-c2ccccc2)cc1	254307192	GRHYQZKCHWHNSQ-UHFFFAOYSA-N	406.533	8.207	10	10	HKCE	
Cc1cc(OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1Br	1083899306	HBCARRPPIRMKJR-UHFFFAOYSA-N	424.298	6.190	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860084398	VXMVVYNSLTUOPS-XNTDXEJSSA-N	404.354	5.472	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1	1865680117	YKOCMXQAOWATLL-NTCAYCPXSA-N	403.707	5.689	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCc3cccc(Br)c3)cc2)cc1	1866124084	WLPQYEVESGRKTE-UHFFFAOYSA-N	411.299	5.395	10	10	HKCE	
CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)CC)C1=O	1873168013	GGQKDWIRDQVGNA-GOSISDBHSA-N	421.585	5.142	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)F)c(N)c2Br)C(C)(C)C)cc1C	2079837684	ZTVQLICRJIOSKP-AWEZNQCLSA-N	402.283	5.123	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)C)c(Br)c1	2095953119	CMKUWJRSYPRAES-GOSISDBHSA-N	419.407	5.236	10	10	HKCE	
COC(=O)c1ccccc1-c1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)o1	2293161028	PLTJKQCCOWFFAA-UHFFFAOYSA-N	421.499	5.139	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C	2294064354	IAFXABXGDQSUGV-UHFFFAOYSA-N	403.913	5.862	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1	2297467646	UBHDAJDTSGWOHF-UHFFFAOYSA-N	419.554	5.076	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1	2313609504	KCKMSYYRUFMPLK-UHFFFAOYSA-N	420.353	5.123	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c1	2321698372	WTYBRJDZVQNANY-UHFFFAOYSA-N	405.544	6.034	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccccc3C)SC2=S)ccc1Br	2321744148	YQJZWCHZYQXQNU-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)SC1=S	2331595186	XFHSWXUXOYQZSD-UHFFFAOYSA-N	401.528	5.262	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1	2332116489	SYMFGNDMBNRILS-UHFFFAOYSA-N	417.336	6.369	10	10	HKCE	
Cc1ccc(CNc2c(F)ccc(Br)c2F)c(O)c1Br	2380748895	JKICAOZZDAWRHV-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642845	KKKSFOMOQUNHGM-NWKHUOOYSA-N	422.572	7.430	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14460445	OVVXGXXLKOGUPJ-MZKRTTBSSA-N	406.957	6.183	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476388	AUNNXHXFOVYIOV-MHPIHPPYSA-N	422.355	7.399	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477879	QNRZBEILOWIELE-GCKMJXCFSA-N	417.336	5.196	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	14551066	QASZDDLPQBJQSF-HFMPRLQTSA-N	417.509	5.293	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1	96860857	NNAYVBXBGASGLF-AQTBWJFISA-N	402.837	5.720	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226835339	DKTGIJMHVVBURH-LOYIFYEOSA-N	424.544	5.794	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	586479957	HLMLLTWRTUQCCR-JLDZCNIISA-N	405.494	5.471	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl	1860084722	FECWHANCSSFFRR-VCHYOVAHSA-N	416.354	6.552	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085842	NQWMIEGPVBAXIF-XSFVSMFZSA-N	406.507	5.217	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(OCc3ccccc3)cc2)cc1OCC	1860492608	AZORVMFAUCUHJU-UHFFFAOYSA-N	419.525	6.085	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675060	MTFRKAUBPHHYDH-CXUHLZMHSA-N	419.308	5.290	10	10	HKCE	
CCN(CC)c1ccc(C=Cc2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1	2297476662	UVEIBRMWSYNMMX-UHFFFAOYSA-N	404.557	7.432	10	10	HKCE	
O=C1C(=CC=Cc2ccco2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2297554932	CIEINYONZLXQMN-UHFFFAOYSA-N	415.845	5.914	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC=Cc2ccccc2)cc1	2297638701	HHDZJKDZTMYHPS-FCEKVYKBSA-N	418.625	5.914	10	10	HKCE	
COc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC	9228792	JPRSNXATQSMKEM-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(C)cc2)[C@H]2CC=C[C@H]32)cc1	14458558	DCPYHEVVLKASTG-JCYRPKCISA-N	424.544	6.473	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3cccc4ccccc34)[C@@H]2C1	14464440	CRYCAARLGIRDSX-KSCKTEMCSA-N	403.525	7.245	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2	14545757	KFXHLQURZFAPFZ-PBPSECFOSA-N	410.945	6.304	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20687453	TVTCWKWFMLWKIX-WOIUINJBSA-N	422.575	5.684	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20688353	OWVAHUMBGXRRQI-TZBSWOFLSA-N	401.575	6.895	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@H]2CC=C[C@@H]32)cc1C	20714516	CMAZSZJPDWIKJC-MVERNJQCSA-N	408.545	6.691	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1OC	20715778	LAGGYKHWHODWON-YPCDYVTLSA-N	413.517	6.109	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	39859163	UCHXSURCBCAPDJ-GDNBJRDFSA-N	404.354	5.472	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3O)C2)cc1	58138617	WWZBAFOYOGTTSW-OZXSUGGESA-N	416.521	5.194	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cccc(Nc2ccccc2)c1	95470964	LLTGEHYRLVWSHE-JCMHNJIXSA-N	402.885	5.802	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Cl)c3)SC2=S)c(C)c1	102445816	MMAMIJUTEYPLNX-WOJGMQOQSA-N	402.972	5.429	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	210499394	XPOBPDXBTZSRPD-KNTRCKAVSA-N	419.612	5.656	10	10	HKCE	
CC1(C)C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CCN(C(=O)OC(C)(C)C)C1	700020846	BGMDAXASEZAJPE-HNNXBMFYSA-N	417.377	5.214	10	10	HKCE	
CNC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1	1087999886	ISUNKPKHZOKMNA-UHFFFAOYSA-N	404.514	5.221	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cc(Cl)ccc1Cl	1860085179	UCJKKPJWRMJFSC-VCHYOVAHSA-N	416.354	6.552	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1	1860403604	LDGBLRPALKMWBT-UHFFFAOYSA-N	421.562	6.088	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cccc3ccccc23)cc1	1865664161	CVXXJBUKTGJILB-NLRVBDNBSA-N	418.496	5.679	10	10	HKCE	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)c(C)s2)cc1	1892115069	XJTNIFNPBPPXCZ-UHFFFAOYSA-N	420.559	5.895	10	10	HKCE	
Oc1ccc(F)cc1CNc1ccc(Cl)c(I)c1Cl	2093950053	XNMVEJQYBSNTTO-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)cc1Br	2113618161	MCQATELTLGTMNU-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C=C3SC(=S)N(c4ccccc4)C3=O)c2C)c1C	2294013971	OUOVPUAGADKNTB-UHFFFAOYSA-N	418.587	6.117	10	10	HKCE	
CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2294082170	LODLXTYOMVDPFL-UHFFFAOYSA-N	408.325	5.389	10	10	HKCE	
CCN(CC)c1cc(C)c2cc(NC(=O)C=Cc3ccccc3OC(C)C)ccc2n1	2297333277	VKSDHKNPPHGPQF-UHFFFAOYSA-N	417.553	5.829	10	10	HKCE	
O=C(COc1ccccc1)N[C@H](C=Cc1ccccc1)c1c(O)ccc2ccccc12	2297336329	DOZJYTVHXGJEEI-XMMPIXPASA-N	409.485	5.495	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S	2323852004	GFIYDFBAVYITHE-OAHLLOKOSA-N	423.600	5.273	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3cccc4ccccc34)C2=O)cc1	2332099839	JBWDTVQVNGQFQI-UHFFFAOYSA-N	402.497	5.978	10	10	HKCE	
CCC(=Cc1sc2cc(C)ccc2[n+]1CC)/C=C1/Sc2cc(C)ccc2N1CC	3169883	JHTBNZZKXUTZRC-UHFFFAOYSA-N	421.655	7.093	10	10	HKCE	
CC[C@@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2OC)CCO1	4497812	MYSHNZYNVKLJHA-UIOOFZCWSA-N	410.602	5.158	10	10	HKCE	biogenic
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc12	6913342	RJRLCCZPAQNMFC-UHFFFAOYSA-N	411.549	5.302	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCCC1	14471943	BXZAJAAGQWUZIN-JQVVWYNYSA-N	403.482	5.047	10	10	HKCE	
CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@H]32)CC1	14475366	QTBBCVAUFWOKTM-FXSPECFOSA-N	423.560	5.054	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477702	VCAJWODFRMOANX-PMAPCBKXSA-N	402.365	7.245	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550653	YSRRZNWAXAEHME-VYKTZEHYSA-N	424.544	6.093	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226865609	ADFXOXFARVPWJV-AFBRZQFHSA-N	412.274	5.599	10	10	HKCE	
Nc1ccc(N(C(=S)Nc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1	253468348	RSKNHJXQRLJPFO-UHFFFAOYSA-N	402.567	5.794	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1cccc([N+](=O)[O-])c1	253578526	YMAYHUSSGGPPNN-HNBVOPMISA-N	413.477	5.000	10	10	HKCE	
C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	312287324	UQJQOFYCXWHHGM-RNODOKPDSA-N	417.377	5.262	10	10	HKCE	
COc1ccc(CN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1858587474	DHOSIFBLXYVIQC-CXUHLZMHSA-N	410.347	5.403	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1860085180	UECOFOUOVRNOLD-OVCLIPMQSA-N	408.317	5.302	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086511	MYVVUAHCGNMOON-UDWIEESQSA-N	424.497	6.114	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(C)cc2)N=C1c1ccccc1	1865667151	HXDHYJOGHZFECD-BWAHOGKJSA-N	418.496	5.991	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCC)c(OC)c1	1865669190	GOIRLJVSBPSLFS-QGOAFFKASA-N	412.917	5.329	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	1865673534	JXGZVKRBLNYNEZ-WDZFZDKYSA-N	418.724	5.101	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc2)cc1	1865887817	YHSBDCWEMIRFEM-UHFFFAOYSA-N	408.457	5.544	10	10	HKCE	
CCN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	1999537610	BHYPZSBVBFULQS-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
Cc1c(NCc2cccc(Br)c2O)ccc(Br)c1Cl	2138177314	UHMRNFYSHXTLGG-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	2297459197	DBZLMVFREYPVIW-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889620	KLWYBGKHLOQVKY-UHFFFAOYSA-N	415.408	5.385	10	10	HKCE	
Cc1ccc(CNCc2ccccc2OCc2ccccc2)c(O)c1Br	2352683505	IMBROUDJHYDZQZ-UHFFFAOYSA-N	412.327	5.332	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1	13644960	JYKQUFQCEQAVGT-ZEVJAHDQSA-N	415.581	5.451	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458540	NZVQHNPIDDLHCY-JCYRPKCISA-N	408.545	6.094	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1O)N2	14460032	IZIWGHBOBYKAOB-ZMOMAAQPSA-N	412.917	5.619	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464523	POBILPMSIQMFII-AOUJKTHWSA-N	416.952	7.058	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467580	LDOXXFZBXDXKGC-TVZGQMOCSA-N	403.309	5.227	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14476051	QQGNENLESUQDIZ-ZYLNGJIFSA-N	414.461	5.706	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1O)[C@H]1CC=C[C@@H]21)C1CCCCC1	20681975	LUZBDCKEPRYUPT-IMWIBFENSA-N	418.537	5.329	10	10	HKCE	
COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Cl)c2C)cc1	27521319	MOVXNDMYBQLACU-KGENOOAVSA-N	420.871	5.631	10	10	HKCE	
CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2ccccc2)SC1=S	35175753	IVBYGCSKSYQLAD-QGOAFFKASA-N	419.955	5.019	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=S	39859065	XBYPBOUQUVJXIG-ATVHPVEESA-N	418.381	5.807	10	10	HKCE	
Cc1ccc(-n2c(C)cc(/C=C3/C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)cc1	59425993	DOWHSSWYWLICMY-KQWNVCNZSA-N	411.545	6.681	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	96505380	NVPSTIDDJNJBQJ-RCCKNPSSSA-N	403.528	6.193	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	226796899	HQHTTXMHRNJVAH-TYILLQQXSA-N	416.315	5.301	10	10	HKCE	
CSc1ncccc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	254482984	LMDVJGUYJDJPOX-UHFFFAOYSA-N	406.467	5.014	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1	526234131	IBFYJZQJIGVLGP-QHCPKHFHSA-N	401.462	5.026	10	10	HKCE	
Oc1c(Br)cccc1CNc1cc(Cl)c(Br)cc1F	703818440	KKOQEDBFLDCVFB-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858586820	INNMAYXNWPGQHG-GXDHUFHOSA-N	402.354	5.370	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	1860085099	MTBKBDLSKXSUHE-CXUHLZMHSA-N	410.347	5.798	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C(C)C)C2=O)ccc1OC	1860086363	BPXNRROEGNHEMN-DEDYPNTBSA-N	413.564	5.623	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2cc(C)ccc2C)N=C1c1ccccc1	1865674412	DXKAPHHJBKWKCC-BWAHOGKJSA-N	424.544	5.922	10	10	HKCE	
CCCCOc1cn(CCCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871107724	BSENFQJRMZZAKZ-UHFFFAOYSA-N	419.569	6.183	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S	2293582628	UYZOAKNZWGOSOG-UHFFFAOYSA-N	424.374	5.794	10	10	HKCE	
O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1ccccc1	2296660233	PSFHZPBXYLEBIS-UHFFFAOYSA-N	411.935	6.001	10	10	HKCE	
CC1=NN2C(=N)C(=Cc3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1	2297348094	HKTAJJFZQMEYGV-UHFFFAOYSA-N	418.503	5.223	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2Br)cc1	2313671085	CIAJRDUNBVSCNW-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2314736654	RCSHGTKWLCSYPJ-UHFFFAOYSA-N	419.527	5.422	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	2332114710	IFIKMUHKACKXIA-UHFFFAOYSA-N	422.834	5.867	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2332122234	IEVMYIZKNPBARA-UHFFFAOYSA-N	403.869	5.120	10	10	HKCE	
Oc1ccc(Cc2ccccc2Cl)cc1CNc1ccc(N2CCOCC2)cc1	5646743	ABRPVDGJMKGCOO-UHFFFAOYSA-N	408.929	5.085	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459852	BOZXTOHFXVPARW-BSRJHKFKSA-N	418.537	5.244	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O	14460073	LIJIROSYVXXDRU-AXHZCLLHSA-N	418.537	5.244	10	10	HKCE	
Clc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14465511	XBXXTPJIYUGYFK-PPJWLVRDSA-N	407.985	7.516	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	14478386	WHIYVVMAIJFQJO-XLNZFTOWSA-N	417.509	5.438	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)c(C)c1	20691333	ZWFKUSRGSXVWBJ-YOSAUDMPSA-N	424.610	5.515	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C=C2c2ccccc2)cc1	33786143	BVOLARYJGSYJPW-HKWRFOASSA-N	416.318	6.229	10	10	HKCE	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)cc1	39869979	JXVALPOZAUOSHA-SXGWCWSVSA-N	406.294	5.034	10	10	HKCE	
COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3O)C2)c1	53363362	HDMHDSOWALSSLN-ZJSXRUAMSA-N	422.912	5.285	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3Cl)c3cccs3)c(O)c2n1	54621906	LCCRGQLABZITTN-FQEVSTJZSA-N	415.345	6.819	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)c1	226793432	UBDWBIAJIHJVQM-DPLHUUCSSA-N	402.538	5.394	10	10	HKCE	
COc1cc(NCc2cccc(Br)c2O)ccc1NC(=O)OC(C)(C)C	380842040	YDSJUPCKQODJAY-UHFFFAOYSA-N	423.307	5.122	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	1860084724	FQAKVWIVSAGKPF-LFIBNONCSA-N	404.354	5.417	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)cc1	1865668971	ZKVMPSJQCMMIRL-ITYLOYPMSA-N	424.544	5.922	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2ccc[nH]2)cc1	1865678017	PCVVEEZDHSROCX-GZTJUZNOSA-N	412.276	5.165	10	10	HKCE	
CCOc1ccc(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1	1865886775	SIRCESLDKVPLII-UHFFFAOYSA-N	423.534	5.778	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3[nH]2)cc1	1872737527	SFHWJXRTGDEIKB-UHFFFAOYSA-N	416.500	5.145	10	10	HKCE	
CC[C@@H](N)Cc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	1946902458	FVKYWAQNQGQSBY-HHHXNRCGSA-N	415.625	5.413	10	10	HKCE	
CN(Cc1cc(Br)ccc1F)c1ccc(CNC(=O)OC(C)(C)C)cc1	2141293452	HJHIHFJLEFESLG-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
Cn1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21	2294623693	UCGNZTZCGQPFMS-UHFFFAOYSA-N	402.903	5.377	10	10	HKCE	
Cc1ccc2cc(C3=CC(=Cc4ccc(OCc5ccccc5)cc4)C(=O)O3)ccc2c1	2313518005	GKCAYIQAAVEXRB-UHFFFAOYSA-N	418.492	6.709	10	10	HKCE	
O=C1C(=Cc2cccnc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	2332128632	NHNZNKHDIMZVIP-UHFFFAOYSA-N	408.288	5.219	10	10	HKCE	
CCN1/C(=C/C(=C/c2sc3ccccc3[n+]2CC)SC)Sc2ccccc21	5585995	JMCWTQWOHYAEGS-UHFFFAOYSA-N	411.641	6.386	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1	12412774	OLYVJCRJTGTXIC-UNOMPAQXSA-N	406.825	5.104	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	14462297	WIELDVWTCBABHY-PPJWLVRDSA-N	417.597	5.841	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	14462820	CXXNCKQSCBNRKC-RQTOMXEWSA-N	424.610	5.667	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469894	ZRNHDBLFWGXEPB-MZLICYQSSA-N	422.355	7.399	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477220	RKWOZBBYYWGFQF-LLJLJFOGSA-N	422.355	7.399	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@@H]21	20751932	JKTPUXYIGQQANP-KHOMTPLRSA-N	412.533	5.900	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1ccc(N(C)C)cc1)c1ccccc1	33873570	GQUDYIZSUMQXEL-SYJRROLXSA-N	407.517	5.642	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3C)N=C2C)o1	58832954	WGLJSOOMIPBTOK-STZFKDTASA-N	415.449	5.532	10	10	HKCE	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	248079020	UUROGQFMMUTBLH-LEWJYISDSA-N	416.487	5.458	10	10	HKCE	
O=C(CSc1cccc2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O	1874180895	XEGZFNCTLJISGC-UHFFFAOYSA-N	423.493	5.346	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079998526	AUMIYZOLBQUQSR-IBGZPJMESA-N	416.949	5.477	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1	2081626216	PGSCVRYPLPSIOE-HDKIXWGRSA-N	423.641	5.510	10	10	HKCE	
CCCCOC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl	2297295781	XOOXDZSVHTXSME-UHFFFAOYSA-N	421.927	5.046	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2314533888	URBRMEUPPRZQLF-UHFFFAOYSA-N	424.330	5.026	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC	2321638129	AJRSNODDDRIFFT-UHFFFAOYSA-N	413.564	5.623	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1F	2321658159	RNASUSUHFSPDCR-UHFFFAOYSA-N	421.518	6.332	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	2332117543	SKYFGBAZHIAVSP-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(F)c1	9296561	HTDPQTYNWZWZRR-HYARGMPZSA-N	415.514	6.538	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463283	BDWIUPAFSPORMH-VWYPKUQYSA-N	423.600	7.648	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469665	ZYFIOZFKFYTNLB-MZLICYQSSA-N	414.461	5.706	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccccc1C(F)(F)F)CCN2Cc1ncc[nH]1	14986657	FWLUSUZJWSRMTF-GOSISDBHSA-N	419.472	5.681	10	10	HKCE	
CC[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1O	21517742	WEAPPLVPVYSJGJ-ZDUSSCGKSA-N	409.538	6.678	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1	54620751	OMAAQLUZYCHVLZ-JOCHJYFZSA-N	413.477	5.104	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2)N1CCCCCC1	226899036	AGZGSYMPWZWAHM-HMFYCAOWSA-N	414.596	5.139	10	10	HKCE	
Cc1ccccc1N=Nc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C)c1	254812516	JHMYAKDERGGUSK-UHFFFAOYSA-N	402.479	6.688	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1	1865656379	HLDWOGWTHKYNCX-MHWRWJLKSA-N	407.728	6.229	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664993	WCVMLDZSAAXYHG-WUXMJOGZSA-N	400.092	6.106	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1Cc1ccccc1	1865665882	QIYVCQSCXQKKQZ-MOSHPQCFSA-N	407.300	5.824	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865674532	KICCQPDMZSDRQL-XMHGGMMESA-N	403.869	5.120	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccccc1OC(C)C	1865676010	LPZGXFNIXQKJPO-FOWTUZBSSA-N	400.881	5.458	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1c1ccccc1	1865676262	ZAMRCSWVTLHXCI-JCMHNJIXSA-N	416.908	5.962	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1	1865873830	FROJPBGYLQMGIB-IXDSBMHWSA-N	423.645	5.002	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1	1873521198	ZWSKQILJXVFRGL-UHFFFAOYSA-N	407.920	6.390	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2034732559	SLGJZSWUIGQPGU-KRWDZBQOSA-N	405.380	5.163	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2nc(-c3ccccc3)cc2I)cc1C	2070025907	GYSWYWVSXZTCMD-AWEZNQCLSA-N	418.278	5.086	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@H](CCNCc2cc(Cl)cc(Cl)c2O)CC1	2150374804	NZMORAQPNDOCHM-CQSZACIVSA-N	417.377	5.216	10	10	HKCE	
O=C1Nc2cc(Cl)ccc2C1=Cc1cn(CCOc2ccccc2)c2ccccc12	2297319108	FDQZJHMVJCSMMF-UHFFFAOYSA-N	414.892	5.866	10	10	HKCE	
CCOC(=O)C=C(C)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O	2297511109	DJXQDKQZDJDABV-IBGZPJMESA-N	419.308	5.317	10	10	HKCE	
CCCCOCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323743823	AJFOZSWYDKGXGU-UHFFFAOYSA-N	404.384	5.401	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1OCC	2332106818	KEXIZDKNCARNMD-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OC	2332124637	YSHWLAHHTFLDMX-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccc(OC)cc2)cc1	2332139422	FUIPDLDFIPZROC-UHFFFAOYSA-N	414.480	5.227	10	10	HKCE	
Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1cccc(Br)c1	9775241	IOJCTGUDFQVUEZ-NRFANRHFSA-N	406.283	5.299	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)CC1	14465596	XJIRHYGOCDVLOP-DPLHUUCSSA-N	406.957	6.039	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCC)N2	14545787	DDELLFOZPLLDHA-LZCXECNNSA-N	418.581	6.174	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14551789	FKVZBUKHEZHWCR-FRQCXROJSA-N	419.331	5.840	10	10	HKCE	
CC(C)(C)c1ccc(/C=C\C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	33455946	RTKGPOBFEXBTBS-SSZFMOIBSA-N	409.485	5.411	10	10	HKCE	
CCN1/C(=C2/C(=O)N(c3ccccc3)N=C2Nc2ccccc2)C=Cc2ccccc21	102133524	LUUCQXGRDYPNRB-WCWDXBQESA-N	406.489	5.266	10	10	HKCE	
CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O	108962877	SBARXEAZSITTDK-WJDWOHSUSA-N	420.353	5.254	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@@H]32)cc1OC	226855835	FUEMGJOFIVSWES-JLHGSKIFSA-N	406.526	5.059	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccccc1F	1081112844	SXZGLGFUIQBOIY-AUWJEWJLSA-N	412.294	5.174	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	1865670923	ZKOFXQHSCZEXBI-YFHOEESVSA-N	405.228	5.712	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)CCc3cccc(Br)c3)cc2)cc1	1866123900	IDLOXSGRUWXNHW-UHFFFAOYSA-N	409.327	5.193	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2034755847	KDAWDCLYJMLAHS-UHFFFAOYSA-N	401.392	5.898	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100223369	PXXVPBQDENGUIP-IWMITWMQSA-N	417.391	5.289	10	10	HKCE	
CCOc1ccc2ccccc2c1C=C1SC(=O)N(c2ccc(Cl)cc2)C1=O	2297461984	QYBRGLXTYFOTCG-UHFFFAOYSA-N	409.894	6.133	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=Cc1cn(Cc2ccccc2)c2ccccc12	2297499109	YCRXKWVLFZSXMK-UHFFFAOYSA-N	401.535	5.146	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321638336	WPTMELDQWKNDHN-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(Cl)cc1Cl	2321664132	ZEGGWHOJUFOHQO-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323680567	JPJCMIXHRRLUQR-AUZPSNTRSA-N	412.407	6.019	10	10	HKCE	
CCN1CCCc2cc(CN(C(=S)Nc3cc(C)ccc3C)C3CCCC3)ccc21	3585794	QHPYWXBEAIRBGY-UHFFFAOYSA-N	421.654	6.218	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	14471340	HLZSALSDZRWUBC-HOIFWPIMSA-N	423.900	5.311	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546998	DIQATWDVIANZFU-NAYXTTFHSA-N	415.364	6.348	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccc(OC)c1)[C@@H]1CC=C[C@H]21)c1ccccc1	14550572	HWKPQQGVLXZQAM-ZEVJAHDQSA-N	424.544	6.188	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750171	ROLAFEXMLUVDFO-YHQOMNDMSA-N	415.364	6.348	10	10	HKCE	
O=C1/C(=C/C=C\c2cccc(Br)c2)SC(=S)N1Cc1ccccc1	33447258	OAJODVCUXDWSQI-QMAAWQBESA-N	416.365	5.407	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	33869967	UVVRZAKBYZIAOW-VCHYOVAHSA-N	416.304	5.175	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1ccccc1Br)c1cc(Br)ccc1O	36945603	HYRSOKWSMLUYCZ-MEDUHNTESA-N	413.153	5.719	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21	59462435	QPXDEEWBKBNMGI-IFCLKOLQSA-N	402.925	5.745	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)c1	96475808	HUPHZMBCIAHKFW-CPNJWEJPSA-N	411.889	5.001	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2c(C)cc(C)cc2C)N3)c1	226803306	HOPAZTXKFYSWTA-GKAFBRTNSA-N	422.572	6.999	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(SC)cc1)N2	226804389	RSEHIEAPLTZLEC-OTNCWRBYSA-N	420.622	6.497	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226834122	IGQNBRGLSNWWNX-WOIUINJBSA-N	423.297	6.271	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226848157	GTDULIMGCXUZDM-OTNCWRBYSA-N	418.562	5.353	10	10	HKCE	
CC[C@@H](Nc1c(F)cccc1Br)c1cc(Br)ccc1O	232121062	WQXHOPPWVNRRBA-CYBMUJFWSA-N	403.089	5.620	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1[N+](=O)[O-]	1860084476	NWWTZEKWGICBMM-YBFXNURJSA-N	422.487	5.162	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1	1865654544	WTHSSHHDBVFDST-XMHGGMMESA-N	412.331	5.101	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673543	KNPHKAZHZVHTKP-SFQUDFHCSA-N	401.279	5.483	10	10	HKCE	
CC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1865673888	CHTFWVWHGCJEGK-KEBDBYFISA-N	417.336	5.830	10	10	HKCE	
COC(=O)c1c(NC(=O)C[C@H](C)c2ccccn2)sc(C)c1-c1ccc(C)cc1	1866164176	RKOUDLJNWWRYOZ-HNNXBMFYSA-N	408.523	5.346	10	10	HKCE	
CCCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873421625	IGKZCHQFBYWSGH-UHFFFAOYSA-N	413.521	5.086	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2095950225	SVSPAAZVTMJWDA-QZTJIDSGSA-N	417.435	6.561	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	2297297138	ZJPBVJDBHNXCFD-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1C	2297576993	IFOXNHPJHICKDL-UHFFFAOYSA-N	418.587	6.117	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl	2313682039	UAKYZFNQZBRVDR-UHFFFAOYSA-N	418.324	5.891	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1	2321576627	WFGWYHAUYCFAJW-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O	2323865219	VZUQWJVPUAMMBD-UHFFFAOYSA-N	419.984	5.067	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCCCC1	4819084	CSWZENPLBSWICD-AWRGLXIESA-N	406.957	6.183	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641344	WRDLCEWZUULMMZ-GLDPYIMESA-N	409.526	5.718	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)ccc21	13642532	NZEXAJXHGNEMQC-GCOVDLRRSA-N	409.489	6.549	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(C(C)C)cc2)N3)CC1	14463412	OHEHMBRGDULWOP-XFAFFCHDSA-N	414.593	6.509	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466261	DUSZQANIBSFKCJ-NRVIRDBHSA-N	408.929	5.075	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14466537	GAZPJJGDQIZVQR-WOVHNISZSA-N	415.964	7.178	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543366	CIHIGOPUGCRNIJ-SGIRGMQISA-N	416.565	5.784	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14548140	PMBIUCRLRCFDEB-UAABGXCFSA-N	419.524	6.951	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)s1	14552378	HEXCEHHZLWBBFR-MZLICYQSSA-N	400.547	6.444	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c1O	36347869	DOYKPLGJPIRTEI-XMMPIXPASA-N	404.554	5.495	10	10	HKCE	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	59396768	JXUQVOIQSJWLPU-ZHZULCJRSA-N	413.564	5.452	10	10	HKCE	
COc1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c(OC)c1	105288627	PSXMWRFRIZHBJN-VWLOTQADSA-N	413.473	5.082	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1O)N2	226707011	IZIWGHBOBYKAOB-YPENRWOSSA-N	412.917	5.619	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(Cl)c2)N3)CC1	226707871	GYIXTIZJQIPJHO-ZFGGDYGUSA-N	406.957	6.039	10	10	HKCE	
Nc1ccc(N(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1	244226847	WDDMMSFQCWDLIT-UHFFFAOYSA-N	405.807	6.311	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	251312032	DVLNOWKWCUCNQP-RCDNGHSRSA-N	415.364	6.348	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)c1	526207060	ZZJNDEMATYHDSP-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNCc1ccccc1OCc1ccccc1	715815609	XRSFIPNGDAGFII-UHFFFAOYSA-N	416.290	5.163	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858590094	WVXAFGVOORMZFS-WWOZWZGSSA-N	414.365	5.368	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccccc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859910761	MOGKQVIUFZQOFO-OAHLLOKOSA-N	401.437	5.046	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860083984	JJMUFIXXVMJAKF-MHWRWJLKSA-N	408.375	6.523	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CCC)cc1OCC	1865666811	TXPWRYCPNPPWDV-HMMYKYKNSA-N	424.516	5.595	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)c1	1865668660	JQEJHFKHXOSSMU-HKOYGPOVSA-N	412.489	5.319	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668952	YMORMPAHBGPBFI-BUVRLJJBSA-N	414.480	5.515	10	10	HKCE	
CC[C@@H](C)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O	1873918687	XDOPYHUPVLLKRL-MRXNPFEDSA-N	422.484	5.481	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)nc1-c1ccccc1	1892124537	HKVWKJFXFCTJTI-UHFFFAOYSA-N	418.543	5.491	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2034826066	CQMUHOLPSZCPRR-SFHVURJKSA-N	403.408	6.000	10	10	HKCE	
O=C1C(=Cc2ccc3ccccc3c2)SC(=S)N1c1cccc(C(F)(F)F)c1	2293653504	YEVYKMSXKANBIA-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1	2297297027	JBPMHIHOWCTXOB-UHFFFAOYSA-N	403.481	6.320	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321631276	VXMVVYNSLTUOPS-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
Cc1cc(/C=C2/N=C3CCCCCN3C2=O)c(C)n1-c1ccc(Br)cc1	3186388	ZKZZRKDREJYGPS-CPNJWEJPSA-N	412.331	5.012	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN23)cc1	4920921	ZDJGIXIKNMMOKS-RTWAWAEBSA-N	418.368	5.349	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)SC2=S)cc1	5931964	QBHVDLIWQGYYDS-CIAFOILYSA-N	419.575	5.199	10	10	HKCE	
CC(C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	6307278	WIFBXQHQQQHVQS-GHVJWSGMSA-N	401.532	5.496	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14462900	HANFXXQTCRAHEL-ZEVJAHDQSA-N	414.593	6.699	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463236	LXYMTCUVSMTCEO-QXTIUPHPSA-N	409.573	7.258	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21	14475326	KBZVLYRMQROZBR-WOLJRWFJSA-N	424.544	5.575	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20695417	QXHANFUCRRMQGG-PLXFJCCSSA-N	407.985	7.516	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	20704822	HLZSALSDZRWUBC-DRSNIGMVSA-N	423.900	5.311	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2c[nH]c4ccccc24)[C@@H]2CC=C[C@@H]32)CC1	20720372	LSMRAQVITBOAIN-COKJOHSESA-N	411.549	5.867	10	10	HKCE	
CC(C)Cn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21	33333461	WKFWQQOICPDNJP-BOPFTXTBSA-N	421.497	5.108	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccccc1C(=O)O	101511906	BNSUMIXPHSZFDF-XYOKQWHBSA-N	424.671	5.064	10	10	HKCE	
CCCCCC1=NN2C(=N)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)N=C2S1	102465696	QXDRDTYVKCOQAI-FBWOYIDMSA-N	424.551	5.630	10	10	HKCE	
C[C@@H](Nc1cc(Cl)ccc1I)c1ccc(N(C)C)cc1	690186750	RHOGOYITFHWWHE-LLVKDONJSA-N	400.691	5.184	10	10	HKCE	
Oc1cc(Br)ccc1CNc1c(Cl)cc(F)cc1Br	691412621	WBKXJJGPOOLPAX-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
COC(=O)c1cc(-n2nc(C)c(N=Nc3cccc([N+](=O)[O-])c3)c2C)ccc1Cl	1081807663	VNYABXMOQRKRGD-UHFFFAOYSA-N	413.821	5.253	10	10	HKCE	
CCN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O	1865674186	RMAZUDSGSZGLFG-JWGURIENSA-N	416.908	5.569	10	10	HKCE	
CCN[C@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999536599	MGIREXSXHWRESP-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
CC(C)c1nn(Cc2c(O)cccc2Br)c(Br)c1C1CC1	2079745609	CRSPZIKDKHNDHQ-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(C)C)c(C=O)c2Br)C(C)(C)C)cc1C	2079958046	OCDUAMOIPPKUIN-SFHVURJKSA-N	407.352	5.539	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)cc1Br	2113623497	NSTSFAXRSYIDDG-DLBZAZTESA-N	419.407	5.286	10	10	HKCE	
CN(C)c1ccc([C@@H](N)c2cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c2)cc1	2163144217	LTAFYIJZXUKYCJ-QGZVFWFLSA-N	410.345	5.455	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321601624	DYYCIEFQPAXGMP-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1[N+](=O)[O-]	2321630776	NWWTZEKWGICBMM-UHFFFAOYSA-N	422.487	5.162	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S	2321672315	KBABABAFWJIRCC-UHFFFAOYSA-N	414.310	5.547	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cc1OC	2332124416	AGZLLPSBJSSBLU-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OC	2332125789	QGXQZBXPDZQFME-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461141	IFLKRTXWBGMSOM-GCKMJXCFSA-N	400.316	5.768	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c1	14475858	HGLCRCDCTRJZDU-YMNVWFMLSA-N	411.672	6.087	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	14551172	CIBZGPSMXNRKIV-IMSXRSKXSA-N	402.519	5.314	10	10	HKCE	
Oc1ccc(-c2nn(CNc3ccccc3)c(=S)o2)cc1CNc1ccccc1	59387112	LPLHKRKIYBORPO-UHFFFAOYSA-N	404.495	5.260	10	10	HKCE	
OCCCCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1	90443437	BKFMEJOMVDFRIY-PAMTUDGESA-N	402.498	7.449	10	10	HKCE	
Cc1ccccc1N1C(=O)/C(=C/C(Br)=C\c2ccccc2)SC1=S	102445980	MTJHEOOFEWVQTG-GLDUUKHASA-N	416.365	5.680	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c1	206263407	FGCNZCOAVSTRIF-UNOMPAQXSA-N	411.548	5.393	10	10	HKCE	
COc1cc(N[C@H](C)c2ccccc2O)c(Br)cc1Br	234923294	VVGAQRYFECPADN-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250641259	FCLGRLIBQFVQFB-KHCICDEESA-N	422.355	7.399	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	251353611	NFRMCECCLVHRKN-RCDNGHSRSA-N	415.364	6.348	10	10	HKCE	
Cc1cc(Br)c(NCc2cc(Br)cc(F)c2O)cc1Cl	715743371	AQKYPHFEIJNKIL-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC[C@H](C)N(C(=O)c1cccc(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859916591	BGNVSCKWNIPEQN-HNNXBMFYSA-N	401.437	5.046	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1OC	1860073489	JRLMEYRNHJSRKX-LICLKQGHSA-N	405.928	5.071	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675282	YKUOZENSHHLFEG-OQLLNIDSSA-N	419.308	5.290	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4ccc(C)cc4C)ccc3[nH]2)cc1	1872737184	CILPOYCLENUUJY-UHFFFAOYSA-N	412.537	5.945	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2nc(C3CCCCC3)cc2I)cc1C	2070169459	VCZDJZBJHLTQNE-AWEZNQCLSA-N	424.326	5.467	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2223539445	MRNVVJHEVBXQMU-KRWDZBQOSA-N	401.392	5.896	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C1CCCCC1	2296663432	OPHUQGMVTYSEOP-UHFFFAOYSA-N	414.508	5.389	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)cc1	2313501622	CDVLKARBYIWFIF-UHFFFAOYSA-N	420.104	5.018	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccc2)SC(=S)N1c1ccccc1	2313533084	WBYLQUJPROQJAX-UHFFFAOYSA-N	403.528	5.671	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2318683869	KBLAEKDUISBREN-QSOKESPWSA-N	401.597	5.500	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(OCC)c1	2332116719	ROWFXUFQOZLKMJ-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	2332120916	UNAAMBHNMFIGNU-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457684	LMQDAWHFIDLPBZ-WHCXKFMVSA-N	408.545	6.691	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460711	UINNLZXNWQGGQO-FBLLAGFSSA-N	414.936	6.443	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14463789	VLRSSTLOKYWSPF-CAKYRVLISA-N	416.524	6.919	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21	14548727	FLZNRVLWCMIHJP-FPGHNAPASA-N	400.547	5.847	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(Oc2ccccc2)cc1	17088917	SGKZRBQLRMAIHP-NCELDCMTSA-N	411.505	6.368	10	10	HKCE	
Cc1ccc(OCCn2cc(/C=C3\C(=O)N(C)c4ccccc43)c3ccccc32)cc1C	33534741	TXNMLKHROGKBMH-UQQQWYQISA-N	422.528	5.854	10	10	HKCE	
O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1cccc(Cl)c1	59397066	ZEIGAYLHDODDFZ-XFFZJAGNSA-N	416.774	5.570	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226863406	SRISMDXKOXIWMI-WIEQDCTASA-N	415.364	6.348	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	250576219	ONCMGFAFLZOGCI-SLSDLSHTSA-N	404.554	5.403	10	10	HKCE	
CC[C@H](N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388784632	QXSORFZQGATJLC-BLIXFSHQSA-N	417.391	5.106	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1CCc1ccc(F)cc1	1858591248	GOFUXBQCLQXHEK-LFIBNONCSA-N	411.445	5.288	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860073596	WKCBOBPJHLJJRL-OQLLNIDSSA-N	413.873	6.073	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1	1860085130	PMLBAOGQNPJPCY-GZTJUZNOSA-N	403.956	5.749	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	1865659028	YOJYVAWXQDRJRT-QINSGFPZSA-N	406.835	5.986	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c2ccccc21	1865670891	XNNYQZWVUQHAEA-YBEGLDIGSA-N	417.818	5.176	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)c(OC)c1	1865677317	CTSCLDRYGJWXPJ-XNTDXEJSSA-N	419.308	5.597	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679601	VMKJVEZKNUZZLC-XIEYBQDHSA-N	410.517	5.848	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(SC(F)(F)F)cc1	1891180848	FLPFCCBHMWQEKG-YJBOKZPZSA-N	406.473	5.217	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=O)c2Br)cc1C	2080002847	DULKXBQBIPLZOK-GOSISDBHSA-N	417.347	5.222	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC1	2133496108	MELVGQITYLNCPQ-CABCVRRESA-N	403.350	5.015	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	2297459225	QNRRQJFQQGCGJE-UHFFFAOYSA-N	404.897	6.331	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134419	WKONONMNMAWDGU-UHFFFAOYSA-N	410.644	5.361	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1cccc(Cl)c1	2332144824	QMUZWSOZUFMDCP-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CNc2c(Cl)ccc(Br)c2F)c(O)c1Br	2380749158	MACOOGWWELLVOR-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC	13914970	GPAUANCOFKYOBM-SXGWCWSVSA-N	405.281	5.207	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467816	VHPRHOJUCROLQN-BXTJHSDWSA-N	420.336	5.941	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469597	NOIHVSWYEMCGSL-VRUMLPLGSA-N	412.489	6.309	10	10	HKCE	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14472126	GEVVXZFCRZJYQI-FXSPECFOSA-N	412.489	6.043	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCCCC1	14475331	FSRFYNLYKHUBSR-JCYRPKCISA-N	408.545	6.292	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547068	NFRMCECCLVHRKN-BLVATGICSA-N	415.364	6.348	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701733	MQUWUZANBDBFBZ-SIFCLUCFSA-N	404.337	6.560	10	10	HKCE	
OC1=N[C@@H](c2cc(Br)cc(Cl)c2O)Nc2sc3c(c21)CCCC3	35668862	KLUNBKODMUPOFF-CQSZACIVSA-N	413.724	5.177	10	10	HKCE	
CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)c2c1	38643291	NBTBGEVPTYODHQ-JOCHJYFZSA-N	420.553	5.191	10	10	HKCE	
COC(=O)c1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c1	54619952	XYZIBDZKAAFIHA-QFIPXVFZSA-N	416.452	5.376	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226834080	HWUSAPDVRQJHBZ-WIEQDCTASA-N	401.337	5.960	10	10	HKCE	
CC[C@H](Nc1cccc(Cl)c1Br)c1cc(Br)ccc1O	234059099	OTDAFQCVQJSITN-LBPRGKRZSA-N	419.544	6.134	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNCC(C)C)c(Br)c1	387323493	UQFQTNLYVOYGNC-GOSISDBHSA-N	403.408	6.000	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1	526234129	IBFYJZQJIGVLGP-HSZRJFAPSA-N	401.462	5.026	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526398478	IIRRWYDXJWJSIK-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3cccc(OCc4ccccc4)c3)c2C)cc1	1874160044	QRVYJYWDHUUCHU-UHFFFAOYSA-N	410.517	6.234	10	10	HKCE	
Cc1ccc(O)c([C@H](C)Nc2ccc(Cl)c(I)c2Cl)c1	2150345847	YVKFQTGVGIDSOR-VIFPVBQESA-N	422.093	5.785	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)c(Br)c1	2186636478	MRFIVQIPTPLINV-NXEZZACHSA-N	419.182	5.524	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323850808	NAADFMBLOHGQBN-AWEZNQCLSA-N	401.519	6.266	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889616	KHLXRTYXFCKOFK-UHFFFAOYSA-N	424.425	5.015	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OC(C)C	2332133853	JTVQLYYDVGKIPD-UHFFFAOYSA-N	413.315	5.433	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2C)cc1	2332148853	LNYDZDNBMCBJGI-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(C)=O)cc4[C@H]4C=CC[C@H]43)ccc21	13642176	WGKJGYOSMKYXKL-IKCVQBBRSA-N	406.529	6.844	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)OC)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642638	NYQDEJGXFPHNRP-STTRJGPESA-N	422.528	6.428	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470073	MRWFOLXSNMHZDB-VBOOUTDYSA-N	411.545	6.881	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	20755380	SMFAHOCUPJIVPD-PLXFJCCSSA-N	424.544	5.494	10	10	HKCE	
COc1cccc(/C=C\C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c1OC	33616700	WIXGXHLZRURSCC-GNDNDAELSA-N	424.500	5.594	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363165	FXQOWOXUZXYGTJ-UKILVPOCSA-N	420.940	5.839	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	226792735	ZKJXJXVMFKVYRB-DXBVXKBHSA-N	424.544	6.473	10	10	HKCE	
CN(C)c1ccc([C@H]2OC(c3ccccc3)=NC(=S)N2c2ccc(F)cc2)cc1	1088727925	QZOYBJRYJNCPQO-JOCHJYFZSA-N	405.498	5.159	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OC	1865669822	YFRGIDNTPKTGKY-LTGZKZEYSA-N	406.526	5.769	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc4cc(Cl)ccc4oc3=O)cc2)cc1	1866289185	DRQMITQOEJPJIL-UHFFFAOYSA-N	406.825	5.073	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)C(C)(C)C)cc1Br	2034783270	QJFUOZKKSBPDGU-UHFFFAOYSA-N	403.408	6.142	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1Nc1nc2ccccc2s1	2042449541	UBZLLQMZXAXDTF-UHFFFAOYSA-N	403.941	5.178	10	10	HKCE	
Cc1cc(C=O)c(C)n1-c1ccc(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1Br	2059017187	XXGKWCMFOCMAKH-XHICYHHKSA-N	412.371	6.137	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CC)CCCOCc2ccccc2)c(Br)c1	2096847097	ZUPUGEUIIQUHAX-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	2231463397	OMTXOYXRJOMPPY-ZWKOTPCHSA-N	415.419	6.142	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2314731571	AFHXPJQQZWYZAE-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC	2323767142	YFIKUXIDZBCYLC-HNNXBMFYSA-N	413.564	5.446	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)C=Cc3ccc(-c4cccnc4)cc3)cc2)cc1	2330600170	BNFXNZZWDVWEDD-UHFFFAOYSA-N	405.501	5.574	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)ccc1O	2332094742	CRBXDBXLQWZKLG-UHFFFAOYSA-N	418.880	5.279	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c2ccccc21	2332128980	XNNYQZWVUQHAEA-UHFFFAOYSA-N	417.818	5.176	10	10	HKCE	
Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)S2)cc1	864703	AVNZYBWEJRXBBO-UNOMPAQXSA-N	424.319	6.079	10	10	HKCE	
CC[C@]1(C)C[C@@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2OC)CCO1	4497811	MYSHNZYNVKLJHA-FTJBHMTQSA-N	410.602	5.158	10	10	HKCE	biogenic
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456605	ITXABGMGUREIJO-HSEBIALKSA-N	414.574	6.374	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(O)c1)N2	14457489	IKBYAISAGSMLST-RLSLOFABSA-N	420.553	5.490	10	10	HKCE	
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461117	FXYJSHWHXFSUGX-GCKMJXCFSA-N	400.316	5.770	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548246	FKGZMBKFJATIDG-JOAORWEFSA-N	412.533	5.900	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@H]3C=CC[C@@H]32)cc1	14553653	XHKKCMFPTRFMBZ-NLJOTIRTSA-N	424.544	6.473	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	20755731	GLXMAVNOUGVXSY-SKVJQKLOSA-N	411.545	6.533	10	10	HKCE	
CCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	40927847	OWUQILIJNISHBY-SDXDJHTJSA-N	421.584	5.102	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)o1	58832957	DTFVAMGYVWYWCW-HMAPJEAMSA-N	415.449	5.532	10	10	HKCE	
COc1ccccc1-n1c(C)cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)c1C	96663467	YAIPPKYWEZTOSS-HYARGMPZSA-N	417.534	5.494	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226670392	XJMAPEDFWHMHSD-UMFSSWHCSA-N	408.545	6.691	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2cc(Br)cs2)cc1Br	234439371	GDPQLOWCQXWQAD-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	253562456	DHHPXZADNWDBKI-PSBWJHGTSA-N	402.925	5.745	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S	1858590888	MYKKUNARYVEOTJ-RILMWAFASA-N	404.645	6.093	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	1860085058	JCTHDKXMGIVETB-RQZCQDPDSA-N	408.375	6.523	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cccc(OC)c2)cc1	1865678395	KMCOLZFZKVBYIC-HYARGMPZSA-N	418.880	5.192	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)cc1Br	1915390015	LGVOALVYDOTHFQ-MRXNPFEDSA-N	415.400	5.998	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(Br)c1	2100223371	PXXVPBQDENGUIP-LPTQZCDUSA-N	417.391	5.289	10	10	HKCE	
Oc1ccc(Br)cc1CNc1cc(Br)c(Cl)cc1F	2112640708	HABHHUAEWCKJSQ-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CN(CC[C@H](Nc1c(N)cccc1Br)C(C)(C)C)C(=O)OC(C)(C)C	2264026083	DDLPAFLVQMNKKG-HNNXBMFYSA-N	414.388	5.115	10	10	HKCE	
CN1C(=C2SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21	2296738449	WTLQVBKQPPRBCM-UHFFFAOYSA-N	415.543	5.865	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	2313653079	MGASTAWSXOYKRS-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4cc(Cl)ccc4C)C3=O)c2c1	2321601633	IMYFSSJZXBUFLV-UHFFFAOYSA-N	414.939	5.544	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(N3CCC(C)CC3)cc2)C1=O	2321683304	OEGYIPTWWHIINF-UHFFFAOYSA-N	408.592	5.637	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332148297	NUZRYZGYJYXXDK-UHFFFAOYSA-N	411.339	5.097	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639409	RPJCXAQVLGWRIQ-FGSXEWAUSA-N	411.343	6.014	10	10	HKCE	
CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642164	CRTFPBNLIYZITM-IKCVQBBRSA-N	408.545	7.040	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455914	SSSKBMYDFSIUKY-ZILOHOTNSA-N	414.574	5.856	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc(Cl)c2)[C@H]2CC=C[C@H]32)CC1	14460453	JWAJSKNXCFUJGA-JTAQYXEDSA-N	406.957	6.039	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1OC)[C@H]1CC=C[C@H]21)c1ccccc1	14546377	STFPEVZTZOKRTB-ISJBWFOZSA-N	424.544	6.188	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549358	CYROTHFZIWPZTI-ITLAICGJSA-N	405.541	7.607	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	16694432	WZLBQRSVINGLJX-HAHDFKILSA-N	402.881	5.725	10	10	HKCE	
CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665502	XEXREXZHGCUINW-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cn(C)c2ccccc12	1865672722	IKMMSXWENACPKM-GZTJUZNOSA-N	412.320	5.677	10	10	HKCE	
O=C1/C(=C\c2ccncc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865673566	LJYONPOVEJDSNH-PDGQHHTCSA-N	408.288	5.219	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)s1	2294034705	ZIHILADLONYDHD-UHFFFAOYSA-N	410.951	6.359	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	2297356734	HKFKLTKYMSXISC-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1cc(C=C2SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br	2297454115	PJOHGOONXHVIFV-UHFFFAOYSA-N	419.344	5.301	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1	2321601520	HLYUXZSELFSNRT-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2c2ccccc2)cc1	2332122180	CHWCOEBBMRMURW-UHFFFAOYSA-N	400.453	5.055	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	5443059	PZNQPRQYSBVAAC-FYJGNVAPSA-N	401.422	5.278	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467701	VEKLQTGMYZUJFS-QEEYODRMSA-N	406.309	5.551	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2)c1ccccc1	14546444	ZITVMAIPGGQKOB-UMTXDNHDSA-N	424.544	6.188	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14546895	LYAIKTDYFCIDJQ-MPCDZSKCSA-N	422.355	7.399	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548314	JQGRMXPUZQUUCM-KYPGZQBCSA-N	412.533	5.900	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	54620419	OABZJFNBQKWNFL-HSZRJFAPSA-N	412.489	5.707	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1[N+](=O)[O-]	59396704	XKFYIDLWPUDYJT-AUWJEWJLSA-N	411.291	5.307	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226721655	XZWGDOWADXNFHI-JQYIIUTOSA-N	406.570	5.775	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	251311070	DPDVSNGQBZBIMT-VJESKBHDSA-N	415.364	6.348	10	10	HKCE	
CCOc1cccc(CNCCC(=O)NC2CCCCCCCCCCC2)c1O	1857859673	AQHVEJDKBWEAKW-UHFFFAOYSA-N	404.595	5.060	10	10	HKCE	
COc1ccccc1CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858589324	WKWRINFNJDCTRL-MHWRWJLKSA-N	409.454	5.115	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(C[C@@H](c2ccccc2)N2CCCC2)C1=O	1858594353	VYFVASSRXJNNAG-GDUPUGJQSA-N	408.592	5.033	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2c2ccccc2)cc1OCC	1865666428	KOKOHLFCWCOOKF-PYCFMQQDSA-N	420.553	5.694	10	10	HKCE	
Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)oc2c1	1866293927	LNZBAKCFKHTTRN-UHFFFAOYSA-N	414.461	5.345	10	10	HKCE	
Cc1cc(O)c([C@H](C)n2nc(C3CCCC3)cc2I)cc1C	2070040041	CRNOJZAISOZNRA-ZDUSSCGKSA-N	410.299	5.077	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(N)c2Br)C(C)(C)C)cc1C	2079986658	PZXRJNFWEDXWPX-SFHVURJKSA-N	406.368	5.453	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321570030	YTVGBAHDMTYIDH-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1	2321613342	JHZGDVNMQDCSRX-UHFFFAOYSA-N	404.354	5.417	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2321635371	IUYMXYUMRYWKLV-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	2332096570	WAYOBOBRDCNUKN-UHFFFAOYSA-N	415.924	5.236	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1O	2332100008	BGAGIMUAANFALC-UHFFFAOYSA-N	420.468	5.389	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21)C1CCCCC1	13640094	LUZBDCKEPRYUPT-AXHZCLLHSA-N	418.537	5.329	10	10	HKCE	
COc1cc([C@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641468	LFXULZYPBIRMJR-YZZKKUAISA-N	409.526	5.574	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	13914660	ZUPIMXQEABUXKY-ZSOIEALJSA-N	410.098	5.562	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14458236	WERMTTDDNCGGIC-HWBMXIPRSA-N	422.594	5.433	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710470	XWZBUDMFAPGAEH-GOHWNWGWSA-N	401.937	7.054	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2C)[C@@H]2CC=C[C@@H]32)cc1C	20714520	CMAZSZJPDWIKJC-JQYIIUTOSA-N	408.545	6.691	10	10	HKCE	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O	33711206	OSXIKGXXIUALRA-PXLXIMEGSA-N	408.567	6.198	10	10	HKCE	
CC[C@@H](N[C@H](C)c1cccc(Br)c1)c1cc(Br)ccc1O	36919967	RTKJRYYLAXAGMA-BDJLRTHQSA-N	413.153	5.719	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226743028	FBPWHJNZTWYFNI-ZMPRRUGASA-N	411.889	5.813	10	10	HKCE	
OCC1CCN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cc2)CC1	301387453	XTDPJZJZQNTSFM-UHFFFAOYSA-N	421.488	5.136	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385580688	VPTMXTQFSQTEQU-IAGOWNOFSA-N	401.392	5.925	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668089	GEOAHSSGWQSQIA-BUVRLJJBSA-N	416.908	5.721	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2c(N(Cc3ccccc3)CC3CCC3)ccc(N)c2C1	1946887135	SPRIYAFHADOQPZ-UHFFFAOYSA-N	421.585	5.369	10	10	HKCE	
Cc1ccc(COc2cccc(C=C3SC(=S)N(Cc4ccco4)C3=O)c2)cc1	2293854775	DCPFLNXHPWMSEY-UHFFFAOYSA-N	421.543	5.568	10	10	HKCE	
CC1=CN2C(=N)C(=Cc3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	2297316978	PQVOMQNOZOFZOD-UHFFFAOYSA-N	404.539	5.385	10	10	HKCE	
O=C(N[C@@H](C=Cc1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1	2297623958	DNWWISUCAIECOI-NRFANRHFSA-N	415.880	5.173	10	10	HKCE	
O=C1C(=CC=C(Br)c2ccccc2)SC(=S)N1c1ccc(F)cc1	2297624995	XVMRWKRDMMYSOD-UHFFFAOYSA-N	420.328	5.510	10	10	HKCE	
CC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116362	GEOAHSSGWQSQIA-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332144795	OBYFZXAHIAWQQO-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14456096	NTUVMOHOFXMNNF-NHCICSSKSA-N	403.547	6.341	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14550647	DJNDYFWDSPWWDC-PLXFJCCSSA-N	410.517	5.798	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21	20752810	LDEYEZRUJFHKEB-WXVUKLJWSA-N	400.547	5.547	10	10	HKCE	
Cc1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	20943385	AKLCMLGNWDYFIA-UHFFFAOYSA-N	421.850	6.088	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2)N1CCCCCC1	250070041	AGZGSYMPWZWAHM-KGVIQGDOSA-N	414.596	5.139	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C)s2)N3)c1	253563724	FTJCSMICUWWJOT-REHUZNOOSA-N	400.547	6.444	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNCCc1ccc(OCc2ccccc2)cc1	313420578	XDDIQGNQPMUFQP-UHFFFAOYSA-N	402.321	5.610	10	10	HKCE	
CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC1(C)C)c1cc(Br)ccc1O	720738429	YLQHIOLABYLECN-PZJWPPBQSA-N	417.391	5.106	10	10	HKCE	
CC(C)Oc1cccc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)c1	1859439373	MPPUGLSNSSKOAU-UHFFFAOYSA-N	414.509	5.335	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cc(C)ccc3C)C1=O)cn2C	1860076897	XGXBFSMITDQSPE-KEBDBYFISA-N	408.548	5.210	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865664428	PHDMQEPWOPNDBM-WQRHYEAKSA-N	406.835	5.808	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3ccccc3OC(C)C)C2=O)cc1	1865675990	KTUGTCGIGMMAEO-ULJHMMPZSA-N	410.517	5.612	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1	1872858624	QICLVIKRCDGNLD-UHFFFAOYSA-N	402.538	5.881	10	10	HKCE	
Oc1c(Cn2nc(C3CC3)c(C3CC3)c2Br)cccc1C(F)(F)F	2079747578	VANZGBZAEOBNMT-UHFFFAOYSA-N	401.226	5.173	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cc1Cl	2234175870	GNNBJMIMGPUPGG-OLZOCXBDSA-N	414.293	5.302	10	10	HKCE	
CSc1ncc(CN[C@@H](C)c2ccc(Br)cc2Br)s1	2269274280	XHVPJJYGTIFDOP-QMMMGPOBSA-N	422.211	5.241	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=CC(Br)=Cc2ccccc2)SC1=S	2297500145	MTJHEOOFEWVQTG-UHFFFAOYSA-N	416.365	5.680	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1Br	2321699197	OOYIPQAVRWWMPC-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)cc1OCC	2332113759	GZWNWNIVNHBWAO-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1	4566741	URISHBXYMXYNIY-HKWRFOASSA-N	403.279	5.284	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470197	BFTGQGYXVNNLSR-HWBMXIPRSA-N	410.517	5.452	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc4ccccc4c2)[C@@H]2CC=C[C@H]32)CC1	14475356	IOVNCCXTKRFCIV-XFAFFCHDSA-N	422.572	6.538	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476464	UZGRYMUEYBONPF-IPVFLDMMSA-N	411.501	5.879	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	14477299	HLSSFEKAEHXGME-DMPWYTOCSA-N	413.348	6.056	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548198	PBHZTCFXLNLYRS-IPVFLDMMSA-N	401.506	5.787	10	10	HKCE	
COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1	100287968	IVNQBDUJXNLIHN-MDWZMJQESA-N	401.510	5.194	10	10	HKCE	
CC[C@H](Nc1cc(Br)ccc1OC)c1cc(Br)ccc1O	109934260	IESLGYNUBNUMLG-ZDUSSCGKSA-N	415.125	5.489	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(O)c1	226781809	QDJBRALZXBKBNQ-OHUGHZGNSA-N	415.489	5.382	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2csc(Br)c2)cc1Br	300512808	BVDQYQQSQDCVBV-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	1860075197	PHRVLIORIIZHKW-FRKPEAEDSA-N	409.363	5.465	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc1	1865668250	NTELAOOGUZVJMY-QGOAFFKASA-N	400.881	5.460	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OCC)c(OC)c1	1865669547	PZMIDYWINZRWOM-LTGZKZEYSA-N	414.505	5.833	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	1865676427	BVBMIBNFKJZQPX-XNTDXEJSSA-N	404.253	5.488	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@@H]4CCCC[C@H]4C)ccc3[nH]2)cc1	1872733932	DQPFECXWFGLFHX-DYESRHJHSA-N	404.558	5.385	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4ccccc4F)ccc3[nH]2)cc1	1872735929	NRQJDCXINOTWOG-UHFFFAOYSA-N	416.500	5.145	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2cccc(C)c2)cc1	1873522328	GJQUAKZIUIXWCM-UHFFFAOYSA-N	412.537	5.497	10	10	HKCE	
CC[C@H](N[C@@H]1CCCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	2104266598	PBBPWLYCVPCQJC-CTNGQTDRSA-N	417.391	5.250	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2	2294499034	RSULXSVOUGRRFJ-UHFFFAOYSA-N	424.330	5.124	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	2323680479	FXOWISFNZHENJL-OHFALNGGSA-N	417.596	5.120	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104836	WUMSBUKXZGLQAE-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140308	USIXHDWVMGPUSE-UHFFFAOYSA-N	414.480	5.281	10	10	HKCE	
CCOc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1	4729448	DLTVNGKCSIWRRJ-CTNGQTDRSA-N	417.347	5.059	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473123	GISCFPOAEIHZGZ-ZJTDPSCFSA-N	411.889	5.215	10	10	HKCE	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1cc(Br)ccc1Br	37121847	OKWINKBDELBMLE-QMTHXVAHSA-N	411.137	5.886	10	10	HKCE	
COC(=O)c1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1	54619892	ZWCZCLHGJPQNGD-NRFANRHFSA-N	402.425	5.068	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2)cc1	1857850409	LKDDCNHFGNTQEX-UHFFFAOYSA-N	404.560	6.198	10	10	HKCE	
CCCCOCCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858587614	PQSXACCBXRXKHV-NTCAYCPXSA-N	403.491	5.113	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O	1858588673	RKRKWMOEMVYHLD-BDDWINDMSA-N	417.625	5.039	10	10	HKCE	
Cc1cc(OC(C)C)ccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	1891417457	QTXQMWALPYGLCR-UHFFFAOYSA-N	422.959	5.360	10	10	HKCE	
C[C@@H](N)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl	1931962816	XZTKRFCROLVCAX-HXUWFJFHSA-N	407.989	5.498	10	10	HKCE	
CN(Cc1cc(Br)cs1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2006174432	HFIYLPBHTXKNSO-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
C[C@@H](O)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	2077088488	VCIZOXULILFHQG-IERDGZPVSA-N	404.348	5.078	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1Br	2231454629	PTYSKOVZIOHZHM-QGZVFWFLSA-N	419.407	5.115	10	10	HKCE	
COc1cc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc(OC)c1OC	2323802591	LDYSWALIINZVRT-UHFFFAOYSA-N	423.600	5.128	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(N4CCCCC4)c1c23	6737881	AMYPAZXKNYPFKF-UHFFFAOYSA-N	401.510	5.410	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14463308	OWKMCOWIFZTAGU-HFASVGIHSA-N	423.600	7.648	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14466512	ATHACDRMLWHFKF-VHFRWLAGSA-N	415.964	7.178	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21	14548245	FKGZMBKFJATIDG-YIFDDYNVSA-N	412.533	5.900	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(SCc4ccccc4)o3)SC2=S)c1	96482052	CEYKGHUFEWNGTM-CPNJWEJPSA-N	423.584	6.286	10	10	HKCE	
CC[C@H](Nc1cc(Br)ccc1Cl)c1cc(Br)ccc1O	109959574	OFKFZZHOHHZSAW-ZDUSSCGKSA-N	419.544	6.134	10	10	HKCE	
CCCCCOc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	206781230	DUSBOGHMTIUAOH-UHFFFAOYSA-N	417.461	5.111	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226684454	YSWIJGVSPKBBHQ-TYBLODHISA-N	422.594	5.223	10	10	HKCE	
CN(Cc1ccccc1NCc1ccc(Br)cc1O)C(=O)OC(C)(C)C	691392117	OCOAAFLZCPGLJF-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1c1ccc(Cl)cc1	1084052476	HOEYURCIXZGWQX-YRNVUSSQSA-N	416.774	5.570	10	10	HKCE	
CCc1c(C2(C)CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079825293	RVIHWNXLWJTKIE-UHFFFAOYSA-N	403.242	5.032	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2095841271	HWUKXYCTVGGMSN-SFHVURJKSA-N	415.419	6.316	10	10	HKCE	
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	2294005060	VVFYXVULBIVTPW-UHFFFAOYSA-N	422.481	5.136	10	10	HKCE	
Cc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2321655279	UECOFOUOVRNOLD-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cccc(OC)c2)cc1	2332141611	KMCOLZFZKVBYIC-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=O)C(c3ccccc3)c3ccccc3)cccc21	4745812	ULGFSIWHDVTDLB-UHFFFAOYSA-N	417.464	5.233	10	10	HKCE	
COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccccc2Cl)c1	5196300	JAPSPRXAQQQAIH-HKWRFOASSA-N	418.880	5.192	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457283	HXGLCMVQODMZIA-JXQFQVJHSA-N	418.537	5.244	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(NC(=O)C(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462254	TTZKGCXNHHMTIU-WRALFONMSA-N	403.570	5.954	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14466541	GAZPJJGDQIZVQR-UZINWLIJSA-N	415.964	7.178	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21	14466978	UPYUCWQYZOKSRW-PSTGCABASA-N	411.126	6.288	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475208	CDYNEZKSKLVMSC-MRUHUIDDSA-N	400.736	7.627	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362903	STXRYWYIMMCUAU-LADGPHEKSA-N	406.913	5.585	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	59397603	GBGNKCFATPPUPG-LKKYZFDUSA-N	400.491	5.176	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1OC	226872537	IEQJBWMWDHHWRJ-VHSZZVNMSA-N	413.517	6.109	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226883592	CFMRJSUIIXPJTJ-IECBHUPTSA-N	419.525	5.684	10	10	HKCE	
CCOc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1	526236200	JOTWRLWMVZORBH-JOCHJYFZSA-N	420.534	5.270	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	526301524	HHMALSDFZZVHJF-HXUWFJFHSA-N	410.926	5.525	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	1860087568	GXAWETBSORMGBO-GZTJUZNOSA-N	423.481	6.114	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666720	UOYUWEXWDIQXKE-XNTDXEJSSA-N	423.727	5.934	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c2ccccc21	1865670710	NMTRKTVQHFPQJW-UYRXBGFRSA-N	419.406	5.680	10	10	HKCE	
CCCN1N=C(c2ccccc2)/C(=C/c2ccc(N(CC)Cc3ccccc3)cc2)C1=O	1865674952	HEGOGAVKSMINNB-QOMWVZHYSA-N	423.560	5.753	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F	1865676217	XJNWQWVDIOCPKI-YBEGLDIGSA-N	408.807	5.476	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OC)cc1OC	1865678817	GEHIYEYBZZONMO-RCCKNPSSSA-N	400.478	5.443	10	10	HKCE	
CC(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)F)c1Br	2079031568	OIANVXXGLWVAJK-UHFFFAOYSA-N	413.184	5.479	10	10	HKCE	
CCN1C(=O)SC(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O	2293783228	OSXIKGXXIUALRA-UHFFFAOYSA-N	408.567	6.198	10	10	HKCE	
CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3)N=C2C)sc(C(C)C)c1C	2297449013	QYWBKLLHQBWJNM-UHFFFAOYSA-N	411.527	5.075	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1	2321609670	BQGHBTIHAXWKPU-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099262	BYRLLSUULUXMCU-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccccc2OC(C)C)cc1	2332133919	PONRUDOOXMHHRT-UHFFFAOYSA-N	412.489	5.317	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	5897711	BSRVTBNXOZZSHE-JASJWYONSA-N	404.354	5.412	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21	13641583	IBJMTWVXQIJPSC-IUKKYPGJSA-N	409.526	5.718	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14469674	CUGCSBMTGUAMIL-VRUMLPLGSA-N	413.517	6.109	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477312	CXOCUSGAJRHZEH-VFCRVFHLSA-N	415.364	6.348	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@H]32)cc1OC	14479667	CKGMQPKEYKULEC-CEYNDMKZSA-N	406.526	5.515	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544058	XZHFFKOZONRKCX-MFEFFIJZSA-N	402.450	5.592	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548676	JCWJZXUHGZNCLZ-NJNPRVFISA-N	416.612	5.385	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549329	DQAPWOYCPJOBJF-BRWNIOCJSA-N	419.568	7.854	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550332	UGQFYUCFTBJTQR-HWBMXIPRSA-N	410.517	5.452	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14552282	IVOVWCHWOYEMSQ-FBLLAGFSSA-N	418.606	6.251	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(F)c1	17082290	FCQAQIMTFDYHBJ-DEDYPNTBSA-N	401.869	5.377	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	19891076	LOAPUCDWDTUTHQ-HLIPFELVSA-N	417.290	5.516	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@@H]2C=CC[C@H]21	20748684	MNNVRGLKRFPTLE-UMEGOILYSA-N	416.565	5.784	10	10	HKCE	
COc1ccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1OC	54621751	ODAMKVCTKAWBMU-HSZRJFAPSA-N	400.478	5.468	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2	226785012	IKRDYYSCGBNWBP-TZBSWOFLSA-N	404.554	5.784	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(C)=O)cc4[C@@H]4C=CC[C@@H]43)ccc21	226798464	WGKJGYOSMKYXKL-KZGFNGFISA-N	406.529	6.844	10	10	HKCE	
CC(C)(C)OC(=O)NCC1(NCc2cc(Cl)cc(Cl)c2O)CCCCC1	705624937	TVAHIFRRTILZMH-UHFFFAOYSA-N	403.350	5.016	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	1860073433	FILHAKQWAZBSKD-LICLKQGHSA-N	407.919	5.674	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	1860085740	XCEHWEBISBDLJV-CJLVFECKSA-N	422.619	6.206	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2c(F)cccc2F)sc(C)c1-c1ccc(C)cc1	1866160395	OUKLJJRGNLBXLX-UHFFFAOYSA-N	415.461	5.278	10	10	HKCE	
Cc1cc(F)ccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	1891922343	OENHEEMEUGTOAJ-UHFFFAOYSA-N	417.314	5.365	10	10	HKCE	
CN[C@@H](C)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	1892590546	HXPAADDYCQWJLV-JTSKRJEESA-N	417.391	5.305	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2cccc(Br)c2O)cc1	2089187230	WGCFLQBEENIAQN-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(Br)c1	2113623656	POQFHIVQOSPZKI-IRXDYDNUSA-N	419.407	5.286	10	10	HKCE	
Cc1ccc(C=CC(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	2313676550	BREIPLSBODWXIB-UHFFFAOYSA-N	400.507	5.937	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321635342	ZVGXMJBVKBRXOO-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3c(C)cccc3C)C1=O)cn2C	2321635382	MXFVIVHQYKTVHI-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C=Cc3ccc(-c4cccnc4)cc3)cc2)cc1	2330600560	YBOVCKBCYLNNOP-UHFFFAOYSA-N	407.473	5.775	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	2332104298	SMBGGLHVLSVZAA-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C(F)(F)F)cc1	2332139420	FQRCMBDTDWYJKM-UHFFFAOYSA-N	413.226	5.904	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	13645406	TVTCWKWFMLWKIX-IPJJNNNSSA-N	422.575	5.684	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14458825	SEXUIYGXFZPLKU-QONNDPFASA-N	408.545	6.393	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467719	MQUWUZANBDBFBZ-AUSJPIAWSA-N	404.337	6.560	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1cccc(OC)c1)[C@H]1CC=C[C@H]21)c1ccccc1	14550569	HWKPQQGVLXZQAM-JCYRPKCISA-N	424.544	6.188	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20688391	KUUYJENNJIXDGO-NIRIFSCTSA-N	401.575	6.895	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@@H]3C=CC[C@H]32)cc1OC	20715485	FUEMGJOFIVSWES-YVHKJVDXSA-N	406.526	5.059	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226661544	IBUTXXYOYQUXFO-DIIXFEDBSA-N	423.600	7.450	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1	1860086195	PUQDJXFPUCHZBL-HMMYKYKNSA-N	415.555	6.191	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675276	XZUMORAWCIHXJA-OQLLNIDSSA-N	405.281	5.294	10	10	HKCE	
Cc1cc(C)c2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(C)c2c1	1866297830	ZGKDCAHKUHTNLD-UHFFFAOYSA-N	414.461	5.345	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2095946294	ZVLYDFQPLFYFMX-IBGZPJMESA-N	417.435	6.246	10	10	HKCE	
C[C@H](c1cc(Br)cs1)N(C)c1ccc(CN)c(Br)c1F	2186576330	BJUYAMKVEJMNOT-MRVPVSSYSA-N	422.161	5.068	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O	2296808160	ZAAAUNSWOYDONU-UHFFFAOYSA-N	422.575	5.253	10	10	HKCE	
O=C1C(=Cc2ccc(SCc3ccccc3)o2)SC(=S)N1Cc1ccccc1	2297349992	KDUNURVZQRPFRY-UHFFFAOYSA-N	423.584	5.973	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(C)c(Br)c3)C2=O)c1	2321702480	IKHIDOCROGSOER-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321743512	ZKJORDKZWXXJAS-UHFFFAOYSA-N	422.453	5.070	10	10	HKCE	
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)c1	6721825	VGZBYWAKZZXLHH-GHTZIAJQSA-N	412.898	5.358	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	13639211	WQPJXDLVIKOYNY-IPJJNNNSSA-N	414.343	5.691	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21	14460785	VTBSQTNLZWSTAT-ZJNRKIDTSA-N	421.132	5.744	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463481	IYBANCMXTKUADX-DPZBCOQUSA-N	414.593	6.653	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471165	HNPYTMDTJWBPBF-JKSBSHDWSA-N	414.889	5.490	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@H]1CC=C[C@H]21)c1ccccc1	14479010	XTWPCEXGCXDFJV-JCYRPKCISA-N	408.545	6.488	10	10	HKCE	
O=C(NCc1ccco1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	20489532	QOSSVKYLOXFXLR-UHFFFAOYSA-N	410.517	5.936	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	20720551	AHSIWGNLIALKRP-ZKOMGTKCSA-N	406.529	6.616	10	10	HKCE	
CC[C@@H](Nc1cc(Br)ccc1F)c1cc(Br)ccc1O	36751145	WGGFYVKSTORJGV-CYBMUJFWSA-N	403.089	5.620	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363227	DUZDJHPOKCPIRF-OZXSUGGESA-N	418.512	5.715	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226861440	MRKCZNKOMAEUEK-SLSDLSHTSA-N	416.565	5.974	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2	251393187	XBUXYFZDGWNJAA-BQVUBFBJSA-N	407.510	5.624	10	10	HKCE	
CN1C(=O)/C(=C/c2cc(N=Nc3cccc(C(F)(F)F)c3)ccc2O)SC1=S	254798009	RGXQUSFSUBFUMO-GEZABAPISA-N	423.441	5.657	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3C)C2=O)cc1	1084370430	BXEUGNCRNSDZNT-ZHZULCJRSA-N	411.596	5.112	10	10	HKCE	
CCC(CC)c1nc(-c2ccc(CS(=O)(=O)Cc3ccc(N)cc3)cc2)cs1	1857849690	DUVJEIUFSDSFFX-UHFFFAOYSA-N	414.596	5.411	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)c1	1865668679	KJWBNCQPCTUTHD-ITYLOYPMSA-N	424.544	5.922	10	10	HKCE	
CC(C)CN1N=C(c2ccccc2)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C1=O	1865676169	VMQBJZSNNTVRKE-ULJHMMPZSA-N	424.500	5.192	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1	1865679066	SRRWTYBYYBNUTE-JCMHNJIXSA-N	420.434	5.844	10	10	HKCE	
CCN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C	1999537611	BHYPZSBVBFULQS-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)F	2079043267	YQGGDCAEWVMEKL-UHFFFAOYSA-N	418.362	5.038	10	10	HKCE	
CCCNCc1ccc(N(C)C2CC(OCc3ccccc3)C2)c(Br)c1	2100220880	WIEDNZHSNRYCGJ-UHFFFAOYSA-N	417.391	5.133	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1C	2302225223	ROZLQUSVINFEMV-DEOSSOPVSA-N	415.625	5.722	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1	2318756633	PJIMTZZMZYQDDF-UHFFFAOYSA-N	414.508	5.035	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	2321658187	XFECHPHXYMADSQ-UHFFFAOYSA-N	419.527	5.893	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	2321664210	FQAKVWIVSAGKPF-UHFFFAOYSA-N	404.354	5.417	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3C)SC2=S)c1	2321717804	GGPBDDLGYQMXBA-UHFFFAOYSA-N	411.548	5.358	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OC	2332124275	LKCQYZSADIQJFF-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1	2332139976	OGFYSMZTKIMANI-UHFFFAOYSA-N	423.560	5.823	10	10	HKCE	
CCN(CCN=[N+]=[N-])C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1	2337774287	LLJXORVUWLRARF-UHFFFAOYSA-N	402.282	5.113	10	10	HKCE	
Cc1ccc(CN[C@@H](C)c2cscc2Br)c(O)c1Br	2352682313	ZMHRJSBNBVLVPU-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
CCCN1CCCc2cc(CN(CCCOC)C(=O)Nc3ccc(C)c(C)c3)ccc21	3585498	MPUFWVAKELABSK-UHFFFAOYSA-N	423.601	5.537	10	10	HKCE	
COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1	6179939	SBJXLZUTEPIZSC-UYRXBGFRSA-N	405.500	5.032	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	13644944	ZDTFYNCHGUVAFX-PNCHPQGNSA-N	409.961	5.971	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459758	ZKZIDJDQPNWSLI-BSRJHKFKSA-N	418.537	5.290	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14460450	HWSJEDYPRFYJBQ-YZUZCNPQSA-N	420.984	6.571	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21	14467327	YPFZNUFODBMBMO-KCWFYHRYSA-N	401.120	6.832	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	14477300	HLSSFEKAEHXGME-WJONJSRFSA-N	413.348	6.056	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2O)[C@H]2CC=C[C@@H]32)cc1C	20707285	RTYQUEMMYKYCLL-RNHFSVANSA-N	410.517	6.088	10	10	HKCE	
O=C1/C(=C/c2ccc(O)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1	27534725	MSJYVCLLGDPIJO-KGENOOAVSA-N	420.921	5.624	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1	39372925	NHPIGCWGPQRFJS-IZBJGVDFSA-N	413.477	5.000	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)c1	54619853	MJMFYTDGGOOURG-QFIPXVFZSA-N	402.450	5.220	10	10	HKCE	
O=[P@](O)(Oc1ccc(N=Nc2ccccc2)cc1)Oc1ccc2ccccc2c1	256341439	WKWKKPXBWVYKAG-UHFFFAOYSA-N	404.362	6.813	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CC)c(Br)c1	387304605	ZCWFGXXRSMDCCJ-ROUUACIJSA-N	403.408	6.315	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086422	GRHBCSWUTISXBT-XSFVSMFZSA-N	406.507	5.975	10	10	HKCE	
CCN(CC)c1ccc(CNCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1	1860716961	MMSPYIDDBHEKPK-UHFFFAOYSA-N	414.764	5.221	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665424	SFIXJDZDEUIENR-XMHGGMMESA-N	412.917	5.724	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)c(OC)c1	2296007807	NKNWABYHSCCEMJ-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)c1C	2297357551	AAKCOGXPMBHTGT-UHFFFAOYSA-N	418.587	5.804	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)ccc1O	2321601574	ACRYBOIKXJKCHH-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2321647904	ZRBFMORIPHJEAP-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2321656252	QYDKTANITVNOLD-UHFFFAOYSA-N	423.946	6.538	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(C(C)(C)CC(C)(C)C)C1=O)cn2C	2323802819	RJPNKLLONLXZLY-UHFFFAOYSA-N	416.612	5.603	10	10	HKCE	
CC(C)OCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782046	LLXLGZUNIJLENK-UHFFFAOYSA-N	416.565	5.568	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457282	HXGLCMVQODMZIA-AXHZCLLHSA-N	418.537	5.244	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(C(C)C)cc2)[C@@H]2CC=C[C@H]32)CC1	14463091	GTSRFRNPYAMCJB-PPJWLVRDSA-N	414.593	6.509	10	10	HKCE	
Cn1cc(/C=C2\SC(Nc3cc(Cl)ccc3Cl)=NC2=O)c2ccccc21	27230603	MAEDODCWLCGBIW-IUXPMGMMSA-N	402.306	5.568	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)c1	37523524	GCYNCVJJBCZTTQ-JOCHJYFZSA-N	400.444	5.516	10	10	HKCE	
C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(N(C)C)cc1	59416086	UZGVMJTZLSHECX-OGLTWUOJSA-N	411.549	5.744	10	10	HKCE	
CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Br)cc1	105413889	MRKSMTMSBQJXIW-CXUHLZMHSA-N	420.104	5.018	10	10	HKCE	
Nc1ccc(N(C(=S)N(Cc2ccccc2)c2ccccc2)c2ccccc2)cc1	243274846	KXBTWMNZDXDUQJ-UHFFFAOYSA-N	409.558	6.399	10	10	HKCE	
Oc1cccc2c1[C@@H](Nc1c(Br)cc(Cl)cc1Br)CC2	380804370	XHWBZSVFPFSDOL-LBPRGKRZSA-N	417.528	5.670	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1	526472875	AQPVMGUQUQNVMA-QHCPKHFHSA-N	419.452	5.418	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	1860085085	LYDAXQZUHYAAEH-CXUHLZMHSA-N	410.347	5.798	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	1865664662	IYCCBLAZSOUMOY-JYRVWZFOSA-N	417.189	5.477	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1	1865665722	IMSDTUHIDSYQTB-NVNXTCNLSA-N	413.226	5.646	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2C)cc1	1873826165	DDGJHAFRLQJMCT-UHFFFAOYSA-N	402.538	5.198	10	10	HKCE	
CCN[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	1977946842	YEVQPBIXWQHEPB-QHCPKHFHSA-N	411.590	5.231	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025603	QPHCSOXEBFZKKL-SFHVURJKSA-N	419.363	5.468	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C	2313610382	XCQAQTBCTMGYNT-UHFFFAOYSA-N	419.955	5.542	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2321635442	JAYXNNRIEBKQAN-UHFFFAOYSA-N	422.487	5.162	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)c1	2321637605	WVKHSVPXFJJROD-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)c1	2321683249	OTEBQTNHRISWAG-UHFFFAOYSA-N	404.516	5.204	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323680624	KRPRURLQOVMUFW-ABHRYQDASA-N	422.413	5.475	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475210	CDYNEZKSKLVMSC-QYWGDWMGSA-N	400.736	7.627	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)N1CCOCC1	14475314	CGBWOAKLDFTNJA-FBLLAGFSSA-N	410.517	5.139	10	10	HKCE	
CC[C@H](N[C@@H](C)c1cccc(Br)c1)c1cc(Br)ccc1O	36919964	RTKJRYYLAXAGMA-ZBEGNZNMSA-N	413.153	5.719	10	10	HKCE	
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	226903371	SHCMSJHJLUJLOR-PWHSHALESA-N	422.575	5.053	10	10	HKCE	
Cc1cc2c(n1-c1c(Br)cc(Cl)cc1Br)CCC[C@@H]2N	379678593	RIDCDGYLGYYTJX-ZDUSSCGKSA-N	418.560	5.300	10	10	HKCE	
CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1	526293832	JGSKBYMELCVPKO-XMMPIXPASA-N	414.505	5.209	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)SC1=S	1871287869	YDVOEGZVUQFCSI-YBFXNURJSA-N	417.983	5.776	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S	2042445941	IMEFVOPLLUJFHN-UHFFFAOYSA-N	410.486	5.334	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2313577461	YXTBHSLWXATREI-UHFFFAOYSA-N	417.549	5.868	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=CC2CCC2)sc(C)c1-c1ccc(Cl)cc1	2330979529	BRADYYSWJOXLKN-UHFFFAOYSA-N	403.931	5.848	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1cccc(F)c1	2332140880	SAROWTUALWSGOB-UHFFFAOYSA-N	424.397	5.675	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	2332141626	LHEUXBIVQZJQSL-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCCCC1	1138319	RFEXQEHPRFZKIS-IMSXRSKXSA-N	417.509	5.438	10	10	HKCE	
Oc1ccc(Cl)cc1[C@H](c1ccccc1)n1c(-c2ccccc2)nc2ccccc21	5635478	GUBDLVZKWWBWQZ-VWLOTQADSA-N	410.904	6.700	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@H]2C=CC[C@@H]21	13645950	TXNOXAVCJLNGLM-BBTUJRGHSA-N	414.596	5.058	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	14460246	QPYZHBRTJLMRHX-MIZPHKNDSA-N	400.909	6.419	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21)C1CCCCC1	14474320	NGTMWJIMVJVGKK-GLDPYIMESA-N	402.538	5.623	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543701	YUIILSZECHYCFA-FXSPECFOSA-N	416.565	5.784	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	32603302	CLKRBFGIDHLZDD-ACDFGKHZSA-N	407.558	6.786	10	10	HKCE	
Nc1c(C(=O)OC2CCCC2)sc2nc(Cc3cccs3)c3c(c12)CCCC3	40568409	SLLPAJRDCUUNBR-UHFFFAOYSA-N	412.580	5.509	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53364033	PPMFAYLSHFELLR-OZXSUGGESA-N	418.512	5.715	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226906033	DQGXQTXOJSKJAI-MRJKTFCFSA-N	413.561	7.331	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1	526298066	VGPXKUKTFGDUNR-RUZDIDTESA-N	412.533	5.898	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CNc1cccc(F)c1	1084558701	FFLYFXVLUOGJFK-UUASQNMZSA-N	413.326	5.403	10	10	HKCE	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1	1860084190	OXCLSPBBXVARRO-RQZCQDPDSA-N	408.375	6.523	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	1860085012	FZMCWIKVOPFWAS-LTGZKZEYSA-N	424.635	6.236	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cc(Cl)ccc1Cl	1860085201	VRJNRECBCQGSOD-GIDUJCDVSA-N	410.303	5.128	10	10	HKCE	
CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1	1860085648	HMOJEHSESYIIOA-LDADJPATSA-N	415.511	5.188	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)cc1OCC	1860087426	WLIDYKJDKNVLSS-VCHYOVAHSA-N	421.490	5.168	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(c2ccccc2)=NN1Cc1ccccc1Cl	1865658966	XHXXYBLZPKHWQF-ULJHMMPZSA-N	422.915	6.323	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865665645	FDBODGYZQKTQIH-HZHRSRAPSA-N	416.908	5.487	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668333	RGCIXEDBVONITM-XIEYBQDHSA-N	410.517	5.848	10	10	HKCE	
CNCc1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(Br)c1	1915374298	SWGKSPYABDNXCW-MRXNPFEDSA-N	415.400	5.998	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2231471451	GXOTUPRHYQWPJU-SFHVURJKSA-N	415.419	6.144	10	10	HKCE	
CC[C@H]1CCCCN1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2313609278	GBGNKCFATPPUPG-ZDUSSCGKSA-N	400.491	5.176	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323680895	UUTXHYAWKPCTNY-UVLXDEKHSA-N	422.959	5.274	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1	2323882136	FWJAYCJYCIBODA-NRFANRHFSA-N	422.619	5.287	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OCC	2332106881	RFOJQUROEBIQHX-UHFFFAOYSA-N	412.452	5.064	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1cccc(Cl)c1	2332107439	FBOYINWNWPGVFW-UHFFFAOYSA-N	409.272	5.534	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	2332119573	RCNYWHVGLPGFLP-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
Cc1cccc(-n2c(C)cc(CNC(=O)Nc3ccccc3Br)c2C)c1	9228755	WDVUUJLVJAEDOT-UHFFFAOYSA-N	412.331	5.487	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCOc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14544998	RAXXQKDXRIEOBU-TWLCBMPQSA-N	422.528	6.452	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551359	OCEDAURGKUSHRX-DPLHUUCSSA-N	410.583	5.324	10	10	HKCE	
CCCCCC[C@H](C)Nc1ccc(Nc2ccccc2)cc1SCCC(=O)O	15779191	UUSPDDMDDAOUDH-SFHVURJKSA-N	400.588	6.768	10	10	HKCE	
Oc1ccc2ccccc2c1CNc1ccc(I)cc1Cl	37105441	MMBPCQXVNCLBSF-UHFFFAOYSA-N	409.654	5.416	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226654979	NTUVMOHOFXMNNF-ZCVJKFOLSA-N	403.547	6.341	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2)c1ccccc1	226794780	YDJAEHDIBUHYHV-JQYIIUTOSA-N	410.517	5.885	10	10	HKCE	
C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	312287322	UQJQOFYCXWHHGM-RBZFPXEDSA-N	417.377	5.262	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OCC	1865666546	LKYQGFSKLPPJGU-CJLVFECKSA-N	422.525	5.469	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CO)cc1Br	1914864840	XZKFQSHSZHQUQM-OAHLLOKOSA-N	402.357	5.771	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323802746	HYAVVFHACMJUHE-UHFFFAOYSA-N	412.964	5.664	10	10	HKCE	
O=C1/C(=C/c2c(-c3ccccc3)nc3sccn23)SC(=S)N1c1ccccc1	9508933	VSAPPGFUNUKXJE-LGMDPLHJSA-N	419.556	5.469	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455923	XYXUIUBORDYJGI-RFWXGWTQSA-N	400.547	5.813	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471076	MCKQRHWUKLWHAW-IXFSTUDKSA-N	412.917	6.500	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473129	GISCFPOAEIHZGZ-IUSZMWJPSA-N	411.889	5.215	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	14549732	HTGLVLWKSDMPQZ-FBLLAGFSSA-N	412.508	5.625	10	10	HKCE	
CCCN(CCC)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21	35387936	IXNILRJKOCDOAS-ULJHMMPZSA-N	414.553	5.527	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c1	37523523	GCYNCVJJBCZTTQ-QFIPXVFZSA-N	400.444	5.516	10	10	HKCE	
COc1ccc(C2=N[C@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	58083396	YZESUJWCQNNNMH-KNQAVFIVSA-N	412.942	5.647	10	10	HKCE	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	100276486	WBELNRAQJCQHFM-GZTJUZNOSA-N	416.304	5.175	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	101673253	FJRYJIGOLGWOAT-KGENOOAVSA-N	409.913	5.731	10	10	HKCE	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(C)cc(C)cc1C	209909831	WHHXGAPKNXQXNQ-CXUHLZMHSA-N	407.728	6.378	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226885355	XVCSMHMUIJRWRM-UAABGXCFSA-N	419.524	7.467	10	10	HKCE	
Oc1ccc(Br)cc1CNCCc1ccc(OCc2ccccc2)cc1	311883389	BYLZADQPLFHOAD-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
Cc1cc(NCc2cc(Cl)cc(Br)c2O)c(F)cc1Br	708111385	QJMNQXJQWCHRBR-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
Cc1ccc(Cl)cc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860482780	ORYUOEGISWSINM-CYYJNZCTSA-N	404.945	6.054	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860483856	MSCCSGBJQVWAAC-OCEACIFDSA-N	415.497	5.309	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865666502	OEIYMTJFCBYSHR-MOSHPQCFSA-N	423.299	5.529	10	10	HKCE	
C[C@@H](CCO)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	1915436084	TTYFVAPYGKBAKO-KRWDZBQOSA-N	419.407	5.115	10	10	HKCE	
CC[C@H](C)NCc1ccc(N2CC[C@@H](OCc3ccccc3)C2)c(Br)c1	2231469475	JFXYCBPZZVCMDE-FXAWDEMLSA-N	417.391	5.133	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1	2313510494	LSGZTDRKDPGBOP-UHFFFAOYSA-N	407.263	5.999	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(F)cc2)sc(C)c1-c1ccc(C)cc1	2326819246	WMZJHJTUQUQIJW-UHFFFAOYSA-N	409.482	5.610	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2sccc2C)cc1	2332127700	YZEADVOURJMKNH-UHFFFAOYSA-N	422.937	5.549	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(Cc2cccc(Cl)c2)N=C1c1ccccc1	2332143352	MXZYFVIFNBATNJ-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644349	BIMJGLSEOIPKNV-FBLLAGFSSA-N	415.581	5.595	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468348	DFKWPEHUBLAELQ-GXZWQRSESA-N	404.293	5.754	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477285	VHGVTAPGPHFSSO-CKNGIIGNSA-N	415.364	6.805	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21	14544679	WONYJBUIDROMRY-KAWPREARSA-N	405.501	6.247	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2)N1CCCCCC1	14548565	AGZGSYMPWZWAHM-NPPFBWRTSA-N	414.596	5.139	10	10	HKCE	
COc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1Cl	54621697	GFETWXCESFJTOK-OAQYLSRUSA-N	408.860	5.943	10	10	HKCE	
OC1=N[C@H](c2cc(Cl)cc(Br)c2O)Nc2sc3c(c21)CCCC3	95920302	VMUVYMRRGVZRGP-AWEZNQCLSA-N	413.724	5.177	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	102779681	TXQFJFZRZGWYPG-AWNIVKPZSA-N	409.656	5.151	10	10	HKCE	
CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(-c3ccccc3)o2)c(C#N)c1C	206297947	YHYJCVPCXBYIKN-BENRWUELSA-N	406.463	5.017	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	226905117	HYLAUMAHNWEVJB-FHAGJXEFSA-N	400.547	6.146	10	10	HKCE	
Cc1oc2ccc(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c2c1-c1ccccc1	252594066	BOYQDMJHWVBGCI-UHFFFAOYSA-N	408.435	5.776	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1	253571448	OYQSAWZINGOLTK-ONCXSQPRSA-N	402.925	5.745	10	10	HKCE	
COc1ccc(NCc2cc(Cl)cc(Br)c2O)cc1Br	708111390	QMHBXBWDSOLEET-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cc(F)cc(Br)c1	708157377	NGBZXFZKASHLPO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1O	1860074925	APJNUEDYUFEFQR-CXUHLZMHSA-N	405.928	5.159	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccc(SC)cc2)SC1=S	1860085447	LTXMCGPHLGUENC-QGOAFFKASA-N	401.578	5.603	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	1860086025	DTULZQKXIGHRAD-KGENOOAVSA-N	421.518	5.811	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678759	CLZNXRLPWGVJIK-HMMYKYKNSA-N	408.423	6.445	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)Cc1ccccc1-2	1891744416	VASQNARMRFCIFM-UHFFFAOYSA-N	422.506	5.321	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12	2293571200	UPWJKXKLBJDLIJ-UHFFFAOYSA-N	421.500	5.526	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1	2296397840	ARVQMJPZTGVQKA-UHFFFAOYSA-N	405.331	5.881	10	10	HKCE	
CN(C)c1ccc(C=CC2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1	2296536579	GWPLRBJONSCRSH-UHFFFAOYSA-N	411.593	5.500	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	2297100850	YRXYBIJDYKBRAN-UHFFFAOYSA-N	404.554	6.102	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1	2297468052	YDNOJNHXVVRUNA-UHFFFAOYSA-N	419.554	5.076	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(F)cc2F)SC1=S	2321635567	NWAWVSDOGOJJMN-UHFFFAOYSA-N	411.882	5.341	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)cc1F	2321755837	NVILNIADUDBMAF-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103843	DLVIQDPXENSFGD-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cc1	2332117466	KPEWUXYNPFLGDR-UHFFFAOYSA-N	410.945	6.101	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	2332122333	RUDDNXOQMNNYGL-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@H](C)N)c(Br)c2)c1Br	2369648718	FPPPFFAITJENJB-VIFPVBQESA-N	418.198	5.238	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460426	GRXHDDHWKZGHIV-ZVVDCOBXSA-N	408.929	5.075	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14472720	ZKCUFOFOISQHHO-WHSLLNHNSA-N	412.873	5.642	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546310	ACEBKECZKZZDAW-WOVHNISZSA-N	413.517	5.980	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547031	MBVCNRSYACWQSL-VTJXTGGHSA-N	401.337	6.414	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14552145	ARDMILDOTRNXGM-CLCZQPDDSA-N	413.586	6.857	10	10	HKCE	
CCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	40839842	ILOOGWPXNVXWIE-VXPUYCOJSA-N	422.575	5.308	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2	169617889	BFERHBIYSDDSTB-JKIFEVAISA-N	404.691	5.627	10	10	HKCE	
C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C\c1ccc(N(C)C)cc1	1084146935	UZGVMJTZLSHECX-GIQKTSMASA-N	411.549	5.744	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1084428039	AFKWIDUEPOECLH-OQLLNIDSSA-N	409.363	5.573	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccccc1Br	1860074870	VNAOWZCILCWPHO-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
Cc1ccc(O)c(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865665677	GMAHSTVQPCXYMA-STZFKDTASA-N	402.881	5.184	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C=O)c2Br)C2(C)CC2)c(O)c1	2079032132	XUNSHOQDBITOFJ-QGZVFWFLSA-N	405.336	5.159	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)c(Br)c1	2231469477	JFXYCBPZZVCMDE-XLIONFOSSA-N	417.391	5.133	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)SC1=S	2297335524	INUBHOMRVFUSDF-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccc(F)cc3)N=C2C)o1	2313553085	FCOUXUNINIKZGR-UHFFFAOYSA-N	419.412	5.362	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323850913	XFLXOPWJPFDDNE-CYBMUJFWSA-N	402.412	6.554	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	5858988	NFVXLZQNFSZBEJ-CXUHLZMHSA-N	411.470	5.823	10	10	HKCE	
CC(C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1	6782081	CEEDTIGLDJEBJX-FQEVSTJZSA-N	400.566	6.045	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459851	BOZXTOHFXVPARW-YZZKKUAISA-N	418.537	5.244	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCOCC1	14475547	BXUUDLPFIBXYFT-JCYRPKCISA-N	410.517	5.139	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14544804	GMSKQEITZNDWNU-PRCFCKQXSA-N	421.566	5.071	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711701	KFQAFUUSZXDYPX-JZKQVHKSSA-N	401.337	5.958	10	10	HKCE	
Oc1c([C@H](Nc2cc(Cl)c(Cl)cc2Cl)c2ccco2)ccc2cccnc12	54620350	ZTCYFIVRAHRLAJ-IBGZPJMESA-N	419.695	6.695	10	10	HKCE	
Cc1ccccc1COc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1Cl	103719277	MKKLAJKGUIKZOP-ONVPTEKUSA-N	409.898	5.004	10	10	HKCE	
CC[C@H](Nc1c(F)cc(Br)cc1F)c1cc(Br)ccc1O	115895506	HPJDSPAOICGLJR-ZDUSSCGKSA-N	421.079	5.759	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	226743930	PZRFJMMPBRSFDA-STSQHVNTSA-N	406.957	6.229	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526475040	HARBPXJNALPBLP-DEOSSOPVSA-N	415.489	5.587	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858590604	AIAVXWVAEZPMOS-DLEKYWELSA-N	401.519	6.266	10	10	HKCE	
Cc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1	1859092763	RGIRUFYDXGKURR-UHFFFAOYSA-N	423.516	5.719	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3cccc4ccccc34)C2=O)cc1	1865658474	JBWDTVQVNGQFQI-ITYLOYPMSA-N	402.497	5.978	10	10	HKCE	
COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1OC	1865672577	GQQMWRXKMCLAKE-HKWRFOASSA-N	418.880	5.192	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C(F)(F)F	1865674463	HGDIGGHEEVTTEP-WJDWOHSUSA-N	408.807	5.477	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675044	LXBIHPRRQVZCAL-UKTHLTGXSA-N	405.281	5.294	10	10	HKCE	
Cc1ccc([C@H](C)n2ncc(C3CCCCC3)c2I)c(O)c1	2070321806	PJYFSHQJTFIJMX-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079014287	ZAYQPXCSBYLMLM-INIZCTEOSA-N	421.335	5.045	10	10	HKCE	
Oc1ccc(Br)cc1Cn1nc(C2CCC2)c(C(F)(F)F)c1Cl	2079834325	GYEHBYMHDCAWMT-UHFFFAOYSA-N	409.633	5.339	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1	2314735814	DZICPXXAOPFDGD-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(Cl)cc4)C3=O)c2c1	2321730171	ONDYAESAFITXSW-UHFFFAOYSA-N	400.912	5.236	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(F)cc3F)SC2=S)cc1OCC	2321733856	NGDSLVQFXWPYFB-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3cccc(F)c3)SC2=S)ccc1Br	2321744056	KAZGCXZLSKLWBA-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	2332116584	FHCAVLFLHFZWQK-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
COc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1OC	2332130580	GQQMWRXKMCLAKE-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
COc1ccccc1C=C1C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1	2332143671	XILYWLKMHAUDML-UHFFFAOYSA-N	404.469	5.683	10	10	HKCE	
CCOC(=O)C1=CS/C(=C2\C(=S)C(C)(C)Nc3ccc(OCC)cc32)S1	2401545	NJMWLYOBQYXMSA-OBGWFSINSA-N	407.582	5.212	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463558	RQLFDVQFDLWXAI-BXTSTYNKSA-N	422.572	6.913	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468092	DWLCVBIWVQVDOU-PJIJBLCYSA-N	403.309	5.275	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCOCC1	14475315	CGBWOAKLDFTNJA-WRALFONMSA-N	410.517	5.139	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O	33330756	YJPFURNVXOAARB-VFBGBMQPSA-N	422.575	5.090	10	10	HKCE	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\SC(=S)N(C)C2=O)c1	34941088	NHSQEDFMCOGGJK-BKUYFWCQSA-N	405.544	5.558	10	10	HKCE	
O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1ccc(/N=N/c2ccccc2)cc1	105825085	XWRYHYDFKDZRBS-CYYJNZCTSA-N	400.438	5.004	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F	1865680159	ADNFCMCWLLFOPR-GDNBJRDFSA-N	409.205	5.106	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1	1866003598	JXZFVSQAVFROPC-UHFFFAOYSA-N	424.456	5.533	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1	2293532009	VSGIKDVLMIYLKP-UHFFFAOYSA-N	403.528	5.671	10	10	HKCE	
COc1ccc(C=C2N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1OC	2313671179	NRJAVEMKAISNCL-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccccc2Cl)C1=O	2321591208	LWEWFHNZTFVJPC-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1cccc2c(O)cccc12	2321647158	GYPAPAGTKXTDSN-UHFFFAOYSA-N	413.907	5.310	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c1O	2321698360	QYRXUKXROFUNOD-UHFFFAOYSA-N	407.516	5.350	10	10	HKCE	
Cc1ccc(CNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)cc1	6750671	PWPRXEVELOMETF-UHFFFAOYSA-N	420.556	6.262	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14462616	KVUISGIIODFQSP-WFXMLNOXSA-N	415.318	6.241	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476035	JKYMJCJIPZNQRN-AXHZCLLHSA-N	408.498	6.086	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21)N1CCCCCC1	14478172	PUWUFPAPGHXULS-IUKKYPGJSA-N	417.509	5.438	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547033	APMHICKUVCUITI-VBURHUQHSA-N	415.364	6.805	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550502	IXMXBZPVLMBHOD-ZEVJAHDQSA-N	413.517	5.980	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1	96860795	WWIKVZNJGGYUPK-JXAWBTAJSA-N	402.837	5.720	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2cccc(Br)c2)c(Br)c1	110359278	BEQWBGUOCQKIBN-GFCCVEGCSA-N	412.169	5.128	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1	1860086247	STFQHJYRCKYPGP-DEDYPNTBSA-N	412.580	5.193	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OCC	1865666384	IQHVSHHQUBDGKA-CJLVFECKSA-N	406.526	5.769	10	10	HKCE	
CCCOc1c(Br)cc(/C=C2/C(=O)N(CCC)N=C2CCC)cc1OC	1865667781	PDTPPHFGWYISJO-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S	1871285368	AYQAIEHQHFJGBU-XSFVSMFZSA-N	413.564	5.002	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S	1871287852	XFHSWXUXOYQZSD-YBFXNURJSA-N	401.528	5.262	10	10	HKCE	
Cc1ccsc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	1891550997	NXQQKBNPGDRJSL-UHFFFAOYSA-N	405.353	5.288	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080012893	VUWPKJWTDPTAMW-SFHVURJKSA-N	406.954	5.579	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Cl)c(I)c1Cl)CCC[C@@H]2O	2150347952	JDYOHQXASKMSQG-ZDUSSCGKSA-N	422.093	5.067	10	10	HKCE	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NCc3cc(Cl)cc(Cl)c3O)[C@H]1CC2	2154149941	BECGGDCVIZOZDR-USXIJHARSA-N	415.361	5.109	10	10	HKCE	
CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	2156495621	AHYDFQXYCWHQDL-BBRMVZONSA-N	417.377	5.262	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CC1(C)C	2172457177	VASJMUSTQYJIBI-CYBMUJFWSA-N	417.377	5.214	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)cc1C	2313681975	RXBHGZZHBQUDBG-UHFFFAOYSA-N	404.539	5.802	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(c3cccc(C)c3C)C1=O)cn2C	2321591220	PFWJRMXHRXUVRZ-UHFFFAOYSA-N	408.548	5.210	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2cn(C)c3ccc(OC)cc23)SC1=S	2323850858	RMFIKHYYTIDYPJ-MRXNPFEDSA-N	416.612	5.747	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(Cc2ccc(C)cc2)N=C1C(F)(F)F	2332113835	OMGNHWNDYDAVDT-UHFFFAOYSA-N	424.422	5.501	10	10	HKCE	
Cc1ccc(COc2ccc(C=C3C(=O)N(CC(C)C)N=C3C(F)(F)F)cc2)cc1	2332118496	RMVRNAIWOGRTRX-UHFFFAOYSA-N	416.443	5.374	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129779	NJGYQBULRYAPRW-UHFFFAOYSA-N	401.279	5.088	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)cc1	2332140888	SRRWTYBYYBNUTE-UHFFFAOYSA-N	420.434	5.844	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141183	KAWOBDSPSDCIPH-UHFFFAOYSA-N	410.517	5.766	10	10	HKCE	
CCOCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1	6782102	SFQHDALVGDCXSC-FQEVSTJZSA-N	416.565	5.426	10	10	HKCE	
O=[N+]([O-])c1cc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)ccc1Cl	6969825	NAHWCBGHNHDIFX-VEVIJQCQSA-N	405.679	5.837	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13635711	VSQHYMLQKOXISI-FBLLAGFSSA-N	416.565	5.926	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472303	KKVXUGIWGJMHFH-MRUHUIDDSA-N	411.889	5.813	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1	14472309	DGPWXFDHQRUJRB-LGVFNWMJSA-N	417.509	5.293	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476504	RNCXLUFPNPISRE-XFAGBWLFSA-N	422.355	7.399	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1	14477448	AEHIWJPWPWSWJW-XLNZFTOWSA-N	408.328	7.612	10	10	HKCE	
CCCCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2c2ccccc2)SC1=S	33922273	DDCPBMKKBSCABF-AXPXABNXSA-N	424.616	6.316	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cc(Cl)cc(Cl)c1	59396505	ZSQQGPKYOJVNJN-RZNTYIFUSA-N	400.739	6.053	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCC)N2	226862428	KFXHLQURZFAPFZ-LNPFQXMTSA-N	410.945	6.304	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1	526175965	MXBNUWOHIYACCA-QFIPXVFZSA-N	406.432	5.088	10	10	HKCE	
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	1084394291	ZBNDISIDRCPFKR-UHFFFAOYSA-N	418.566	6.131	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)cc1OCC	1865666571	MSWVMWFJXSWEQO-DEDYPNTBSA-N	412.917	5.329	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Br	2034756531	VSAZXVCWCNMKHE-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
Cc1cc(Br)sc1CN(C)c1ccc([C@H](C)N)cc1Br	2156994808	LHNXSIVHKZJZJO-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CC)cc1Br	2223538838	FZNFSMZZGWGSAX-ZWKOTPCHSA-N	403.408	6.142	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)ccc1O	2332107607	MBLKOHQDTFIDIY-UHFFFAOYSA-N	419.706	5.394	10	10	HKCE	
Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Br)cc1	9775245	RLKMCPRJMIJCJK-OAQYLSRUSA-N	406.283	5.299	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl	14470597	MVEJBPSSGLTRFL-IMWIBFENSA-N	417.896	6.818	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477828	ZRTWYEQNNRUYIB-VWKPWSFCSA-N	401.337	6.414	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14549792	XDZPCMUZVWSPLO-IMSXRSKXSA-N	404.529	6.057	10	10	HKCE	
CCCCOC(=O)c1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)c1	54619991	MAUHAPGDQXXXBK-QHCPKHFHSA-N	416.477	5.692	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)c1	59397030	KIPRJYOALZITBJ-JCMHNJIXSA-N	417.555	5.980	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226911138	WDOARMDOWCSJHL-YDIMBITNSA-N	402.538	5.584	10	10	HKCE	
CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1	526294018	NODXRRILODIJRO-DEOSSOPVSA-N	414.505	5.209	10	10	HKCE	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1	1860085304	CGZLKQYDINBDRI-OVCLIPMQSA-N	424.330	5.186	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1	1860085598	CISBNJHKJHWSJG-XDHOZWIPSA-N	413.520	5.000	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc(Br)ccc1F	1865673525	JLNIDEOXJYRSJC-WOJGMQOQSA-N	415.306	5.397	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(Br)c1	1915409814	HPMVZUHQDCUYMR-ROUUACIJSA-N	419.407	5.287	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2(CO)CCC2)cc1Br	1915757950	JPGXGMHEHUEYPM-KRWDZBQOSA-N	417.391	5.041	10	10	HKCE	
Cc1nn(-c2ccccn2)c2c1[C@@H]1Nc3ccccc3NC[C@@H]1[C@H](c1ccccc1)C2	2080385377	DDKFVQKWTKCFDV-OUDXUNEISA-N	407.521	5.111	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12	2297295673	AOQZHRNWWYACLB-UHFFFAOYSA-N	411.935	5.908	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C)cc1	2313510843	YSFZTFJGUUCOAO-UHFFFAOYSA-N	402.277	5.179	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)cc1OCC	2318683843	JGZZKKQLDGUCNC-UHFFFAOYSA-N	419.612	5.798	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1Cl	2321609651	SLTSBOVCZKUPSX-UHFFFAOYSA-N	403.956	5.878	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)cc1C	3764303	GXDPPGGANUGULK-UYRXBGFRSA-N	423.584	6.453	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	13638065	OHXZXDNQUDFJJF-HWBMXIPRSA-N	410.517	5.885	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14458387	PIKZTWIMMQDJBD-FBLLAGFSSA-N	422.594	5.386	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470414	JFVQWFJVJNMVOU-NYULUDCUSA-N	424.544	6.441	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477281	CGEDYAKASCUVAJ-VTJXTGGHSA-N	401.337	6.414	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479617	ZPFPMLBAJUUGDW-BSRJHKFKSA-N	406.526	5.060	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21	14543989	XRSFFHGWAMKICL-IUKKYPGJSA-N	406.323	6.437	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@@H]21	14546192	DGMPOGGTCCZMJQ-JXQFQVJHSA-N	402.538	5.394	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14550601	YZOBISMXQHPJEX-SGIRGMQISA-N	402.538	5.538	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=N)N(c3ccccc3C(F)(F)F)C2=O)cc1	15054034	BTAXEOWZHZJYDH-IVTJCWFQSA-N	419.472	5.607	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)OC)cccc4[C@@H]4C=CC[C@H]43)ccc21	20684642	NYQDEJGXFPHNRP-DZTNWFRXSA-N	422.528	6.428	10	10	HKCE	
Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccccc3O)CC2)cc1	34683323	OVLJQCJVEHNWQJ-UHFFFAOYSA-N	414.549	5.320	10	10	HKCE	
CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S	35202402	BCYGGQXRCODFHI-XMHGGMMESA-N	423.563	5.524	10	10	HKCE	
Nc1ccc(N(C(=O)C(=O)NC2CCCCCCCCCCC2)c2ccccc2)cc1	170367327	JAUSKPHXQDNIEO-UHFFFAOYSA-N	421.585	5.723	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226808198	XFKDDECNWDTHFD-TZBSWOFLSA-N	414.936	6.727	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910737	MLUPNUVFZTVNOO-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	1860084456	ZCTQZIZYZLFGQX-CXUHLZMHSA-N	404.900	5.216	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCCCN(C)C)sc(C)c1-c1ccc(C)c(C)c1	1866193772	DZYVDZDYARCLAZ-UHFFFAOYSA-N	416.587	5.187	10	10	HKCE	
CCOC(=O)c1c(NC(=O)/C=C/c2ccc[nH]2)sc(C)c1-c1ccc(Cl)cc1	1866251870	LUXGYBLGMHIADE-ZHACJKMWSA-N	414.914	5.534	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CO)c2Br)C2(C)CC2)cc1C	2079992992	LWXRIQVDGUPPEO-LJQANCHMSA-N	419.363	5.117	10	10	HKCE	
CC[C@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cc(Br)ccc1O	2098269335	QMQSUJPPZGLGOA-QUCCMNQESA-N	417.391	5.249	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	2294623615	IDZDWDVAPRHBHT-UHFFFAOYSA-N	423.918	5.292	10	10	HKCE	
CCN1C(=C2SC(=S)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21	2295103350	FWCVLPAORZTENJ-UHFFFAOYSA-N	418.996	5.502	10	10	HKCE	
Cc1ccc(CN(Cc2ccccc2)Cc2cccs2)c(O)c1Br	2307468402	ADJHEHGLIUMPBU-UHFFFAOYSA-N	402.357	5.727	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1c(Cl)cccc1Cl	2332103866	FEFUXHQOHVKMTK-UHFFFAOYSA-N	411.691	5.978	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134335	MBNZOHHUEMTVCJ-UHFFFAOYSA-N	418.280	5.484	10	10	HKCE	
Cc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)c1	2332141049	DSOCIZVETNQXJP-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641063	LTTOSZJGXVJENP-QUJCMNEKSA-N	406.309	5.846	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1	14461617	NVUBKPFYXZLUSG-QYWGDWMGSA-N	421.799	7.320	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477860	ZUALTXITNSUANZ-ZMPRRUGASA-N	401.337	6.559	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1	17083321	IDBGKZUIHFIVRQ-XDHOZWIPSA-N	406.288	6.021	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1O	226670906	AHPCWKIFWBRVFW-VHSZZVNMSA-N	419.565	6.577	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2	226785988	XFOCHMHJBQZNNS-YRTUYQHASA-N	419.528	6.555	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226886873	MREHLOVIHPELOE-QQNWGBJXSA-N	411.545	6.533	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226892198	XNLKXTITCYEKMD-WIEQDCTASA-N	401.337	5.960	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1c(O)cccc1O	312167674	HOANFNZWUZLDDI-SSDOTTSWSA-N	421.516	5.449	10	10	HKCE	
CN(Cc1ccccc1NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C	312216569	RPAYPHABPBSTME-UHFFFAOYSA-N	411.329	5.678	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1	1860086795	ICYBRAOFHMWSCB-CPNJWEJPSA-N	407.564	5.130	10	10	HKCE	
CC(C)(C)NCc1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2034756339	RPRNTFIGMWSFJW-UHFFFAOYSA-N	411.334	5.609	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1	2321663778	QQFQRIYJQRXVAN-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1	2321672204	JIHXXXSECXDFST-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)c1	2321718114	DJOLQOLGWLJACL-UHFFFAOYSA-N	422.531	5.139	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2CC)ccc1O	2332094827	LTKBEACRTMKUNR-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113944	ZWVRSQDLTZXVIN-UHFFFAOYSA-N	404.897	5.694	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640822	IOSWTUMEAPDMRY-IXFSTUDKSA-N	423.509	5.106	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2)c1ccccc1	14456888	FJORPRRPSYHSKI-DNRQZRRGSA-N	414.574	6.550	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1O	14459605	SGWWROFWMMKOMR-IUKKYPGJSA-N	412.489	5.480	10	10	HKCE	
Cc1ccc(C)c(/N=N\c2cc(C)c(/N=N\c3c(O)ccc4ccccc34)cc2C)c1	100101856	NPGIHFRTRXVWOY-HZUKNNFDSA-N	408.505	8.610	10	10	HKCE	
CC1(C)C(=O)[C@@](C)(/N=N\c2ccccc2)C(=O)O[C@H]1c1ccc(Br)cc1	100795944	VKTSNZBINKWISR-JDFITRGKSA-N	415.287	5.185	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	101135500	AZLBLERJPDRCTJ-ZHZULCJRSA-N	412.331	5.101	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226672277	TXNOXAVCJLNGLM-LVCYWYKZSA-N	414.596	5.058	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226877523	PORDYLCTJDDNJN-SLSDLSHTSA-N	416.546	5.622	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1Br	384142046	ZOLNFXUTHRTNPQ-MJGOQNOKSA-N	417.391	5.163	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	526309840	VQFPAJZALHWXDN-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
C[C@H](CNC1=C2Sc3ncnc(N(C)C)c3N=C2CC(C)(C)C1)c1ccccc1	1088716146	XPBMHWJRPOAGQI-OAHLLOKOSA-N	407.587	5.146	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)c1	1860087567	GWZZQWKDBMTCNU-WOJGMQOQSA-N	401.578	5.602	10	10	HKCE	
CCCC[C@@H](N)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC	1866019428	KLDMGYHIWYMNCS-OAHLLOKOSA-N	408.951	5.010	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(COc4ccc(Cl)cc4)[nH]c3c2)c1	1872807341	JBGNVJKDVBATHC-UHFFFAOYSA-N	420.900	5.114	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1Cl	1891939626	OFXLWIYLNAMSSZ-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321690907	SVWZMKHCHOLLSX-UHFFFAOYSA-N	411.592	6.177	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(N)cc2)sc(C)c1-c1ccc(F)cc1	2321862737	ITVQSQYWJDVEQS-UHFFFAOYSA-N	424.497	5.273	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2ccccc2)cc1	2332094512	NPNOPXGAQDFKAW-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14460520	NBFUNIYHMGJABX-UMFSSWHCSA-N	417.936	6.624	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14465238	DJEUISVAOJAKFO-SXWKCWPCSA-N	406.957	6.183	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14478254	WIEMPIBUSZSWIS-ISJBWFOZSA-N	412.489	6.043	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549159	KCTFBQCMQXJCDK-OREGWCPLSA-N	407.513	6.837	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14551792	FKVZBUKHEZHWCR-BXWFABGCSA-N	419.331	5.840	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226695717	PWEPJVVQSPJDOB-WHSLLNHNSA-N	400.862	5.100	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2	226842204	DJIXIIFMOUAVMJ-TZBSWOFLSA-N	418.562	5.355	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCC)N2	226859919	DDELLFOZPLLDHA-YPCDYVTLSA-N	418.581	6.174	10	10	HKCE	
Oc1c(Br)cccc1CNCCc1ccc(OCc2ccccc2)cc1	312036168	ZCYGESNFEPFLFD-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1ccc(O)c(O)c1	526376429	CTNFOYCXTHONRP-NRFANRHFSA-N	423.490	5.004	10	10	HKCE	
CCc1ccc(O)c(N=Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1	1084643864	CCZHFNGIUKLNJG-UHFFFAOYSA-N	409.511	5.191	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccccc2F)cc1	1865654217	KRSBCGVGOFGWPI-NBVRZTHBSA-N	406.844	5.322	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2CCC)c1	1865668708	LNDGRWLITCSKIN-NBVRZTHBSA-N	414.908	5.850	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865677999	OBYFZXAHIAWQQO-RGEXLXHISA-N	403.825	5.083	10	10	HKCE	
O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccc2ccccc2c1	2296807992	HWBYNFBJHNGAGA-UHFFFAOYSA-N	422.531	5.053	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	2321743485	RGJAJJJDZZXIOW-UHFFFAOYSA-N	418.381	5.726	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)SC(=S)N1C1CCCCCCCCCCC1	2323743721	UFPOHEMFPGGZRB-UHFFFAOYSA-N	403.613	6.267	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(CCC)N=C2c2ccccc2)cc1OCC	2332106886	RNKKHHIFORNPCB-UHFFFAOYSA-N	406.526	5.304	10	10	HKCE	
Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(Br)cc3)C2=O)cc1	2332147763	WHAAZSGCPDMDBX-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1	2247397	CRXUEBGTKJDOOK-VGOFMYFVSA-N	400.739	6.053	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1O	14459991	DANDAOMCKVKZLX-LZCXECNNSA-N	419.565	6.577	10	10	HKCE	
CCCCOc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461193	NYLITMLDNUZGDG-GCKMJXCFSA-N	414.343	6.160	10	10	HKCE	
Cc1ccccc1/N=N\c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1	102828238	ACOYDVICKLLXEB-FARTVXFVSA-N	416.352	7.249	10	10	HKCE	
Fc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226859661	SYYSEHFWCVOANU-SLSDLSHTSA-N	401.481	6.110	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226889577	OTFVXVKMUPNUAH-GTQRCTGISA-N	401.337	6.559	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	1860075481	XUPMBMIFWFLKOJ-FRKPEAEDSA-N	410.347	5.798	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	1860087485	AWOXDJFWJLFJMO-LFIBNONCSA-N	424.469	5.057	10	10	HKCE	
CCCN1N=C(CC)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O	1865667509	ZSUKPUQQTJEGTC-RCCKNPSSSA-N	406.526	5.374	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)c1	1865670395	XUVPHZRAKCSXAO-SILNSSARSA-N	402.881	5.573	10	10	HKCE	
CCN1N=C(c2ccccc2)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O	1865674138	PEJZBAISBGRKTL-JWGURIENSA-N	416.908	5.569	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C2CCC(=O)CC2)sc(C)c1-c1ccc(C)c(C)c1	1866191299	WIJUOJKTWRXLOF-UHFFFAOYSA-N	411.523	5.135	10	10	HKCE	
Cc1cc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)ccc1C(C)C	1872741443	PSDVIHCBONFUML-UHFFFAOYSA-N	412.537	5.980	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2034747181	NNYRBGMTRXLDFL-QGZVFWFLSA-N	401.392	6.069	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc(CNC2CC2)c(Br)c1	2096847657	AMYNOFCRNCVMON-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
Cc1ccc(N2C(=O)C(=C3Sc4ccc(Cl)cc4N3C)SC2=S)cc1	2295170775	YBDAOCXWWLHQMM-UHFFFAOYSA-N	404.969	5.424	10	10	HKCE	
Cn1cc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)c2ccccc21	2297468207	KRWSBWAYLUVXLE-UHFFFAOYSA-N	400.528	5.737	10	10	HKCE	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)cc1C	2313571110	NORBSKBSIBUWES-UHFFFAOYSA-N	420.468	5.276	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	2332119205	MVWRKFODZBYZBV-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12	13892794	UPWJKXKLBJDLIJ-BWAHOGKJSA-N	421.500	5.526	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469838	UBWFCBDFUHQSOA-WRALFONMSA-N	411.501	5.879	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473327	CGUOCMBTKOZVBO-GCKMJXCFSA-N	414.889	5.490	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)s1	20689113	ICZVIBBCXFCREY-JBYIUTFZSA-N	414.596	5.058	10	10	HKCE	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	43769712	BFERHBIYSDDSTB-CKEIUWERSA-N	404.691	5.627	10	10	HKCE	
CC1(C)C(=O)[C@](C)(/N=N\c2ccccc2)C(=O)O[C@H]1c1ccc(Br)cc1	100795937	VKTSNZBINKWISR-VLRNHVGLSA-N	415.287	5.185	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	385436718	BDFYBZWDOVBOKX-QGZVFWFLSA-N	415.419	6.142	10	10	HKCE	
CC[C@H](N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388784635	QXSORFZQGATJLC-MMOPVJDHSA-N	417.391	5.106	10	10	HKCE	
Oc1c(F)cc(Br)cc1CNc1cccc(Br)c1Cl	715802918	DFICGSMDQNKCGB-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
COc1ccc(OC)c(N=Nc2cc(Br)cc(Br)c2O)c1	1083979205	VMZPYTHKZIJBKK-UHFFFAOYSA-N	416.069	5.350	10	10	HKCE	
O=C(COc1ccc(Cl)cc1Cl)N1CCn2c3c(c4ccccc42)CCC[C@@H]31	1858183655	SHKPDMWPYAESHC-IBGZPJMESA-N	415.320	5.247	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CC)cc1OC	1865669394	LKCQYZSADIQJFF-CJLVFECKSA-N	420.553	5.764	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1	1872890695	KOQWMXCHGHXMAE-UHFFFAOYSA-N	419.575	5.907	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CO)c2Br)C(C)(C)C)cc1C	2079993123	NOEUSHXMGSMANL-LJQANCHMSA-N	421.379	5.363	10	10	HKCE	
COCCCN(Cc1ccccc1)c1ccc(CNCC(C)C)cc1Br	2095871057	YATWNDLPOINXNU-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	2293355651	HRFUIPSMDKAWJO-UHFFFAOYSA-N	423.472	5.793	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc(Cl)c1O	2297617383	HIBZEGCJMGDZSN-UHFFFAOYSA-N	405.281	5.212	10	10	HKCE	
CCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S	2314648085	NCMZHJXQOZYJKQ-UHFFFAOYSA-N	411.596	5.001	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1cccc(Br)c1	2321613597	YUNNZQBOKKCSGG-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cccc(Cl)c3)C2=O)c1	2332099331	KGIAMNCHLZATMY-UHFFFAOYSA-N	400.909	5.787	10	10	HKCE	
CCCC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	4255479	AEIWNYPXKYMJIN-UHFFFAOYSA-N	415.625	6.019	10	10	HKCE	
Nc1ccc(Oc2c(Br)cc(Br)cc2Br)cc1	11804875	UQWBDPIZZMLHJN-UHFFFAOYSA-N	421.914	5.349	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)s1	14456657	RGCLBNXLBLDDGH-DZRGJMJISA-N	414.574	6.752	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460398	FNNPOROHHUAZDD-HFMPRLQTSA-N	414.936	6.097	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469494	RREJBUYWDSIKMV-VBOOUTDYSA-N	424.544	6.075	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CC=C[C@H]32)CC1	14471984	ACPFPOIDHFJMQG-SXWKCWPCSA-N	417.509	5.293	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1	20324814	CEYKGHUFEWNGTM-UYRXBGFRSA-N	423.584	6.286	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711643	OCKDOVNSYALBKA-JZKQVHKSSA-N	415.364	6.348	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764804	MBOOVQLMKIVTJS-UPVQGACJSA-N	408.904	5.970	10	10	HKCE	
O=C1N=C(O)/C(=C\c2ccc(SC3CCCCC3)o2)C(=O)N1c1ccc(F)cc1	33247990	LPISUVFRJZTLAM-SFQUDFHCSA-N	414.458	5.350	10	10	HKCE	
CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	103512603	XFLFVJYURQABLE-PXLXIMEGSA-N	414.461	5.318	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1OC	1860085152	QSPQRORXWXYQKK-CPNJWEJPSA-N	413.564	5.407	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cc1	1860085915	TWXQYAIKGXVYED-WOJGMQOQSA-N	405.491	5.550	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865673876	BVKGHKYMOYRWSA-HZHRSRAPSA-N	416.908	6.034	10	10	HKCE	
CCCC1=NN(C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1865674287	XJQMBYMMACBDGJ-WOJGMQOQSA-N	403.309	5.584	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)CCC3(c4ccccc4)CCCCC3)cc2)cc1	1866225638	GZQBCBFQGIZVCN-UHFFFAOYSA-N	412.577	6.480	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100206209	BGILAUMTCSTCKS-URZJWIJPSA-N	417.391	5.304	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N2CC[C@H](OCc3ccccc3)C2)cc1Br	2231476857	BXOZROWMGVZGLP-UTKZUKDTSA-N	417.391	5.133	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1Br	2321699193	OJLMHBVIHVLCMV-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332104170	PHDMQEPWOPNDBM-UHFFFAOYSA-N	406.835	5.808	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1cccc2ccccc12	2332127999	FYPITWAOZVLQPX-UHFFFAOYSA-N	413.480	6.156	10	10	HKCE	
CCCN1N=C(CC)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O	2332131633	NLJKYXXSIXUPME-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2c2ccccc2)SC1=S	2058681	DDCPBMKKBSCABF-LRVMPXQBSA-N	424.616	6.316	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3cc(O)ccc3Br)S2)cc1Cl	6859937	TVMZAXJJPYGBPL-VIZOYTHASA-N	423.719	5.199	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13645285	LUTGDELHSMOMHS-ZEVJAHDQSA-N	409.533	5.831	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	14460397	FNNPOROHHUAZDD-AWRGLXIESA-N	414.936	6.097	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21	14460787	VTBSQTNLZWSTAT-VEVIJQCQSA-N	421.132	5.744	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	14478388	WHIYVVMAIJFQJO-AXHZCLLHSA-N	417.509	5.438	10	10	HKCE	
Cc1cccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)c1	14480147	JOOXCKVNWFHVAA-JCYRPKCISA-N	408.545	6.691	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544392	KABMSHVAWOAWIJ-VHFRWLAGSA-N	415.533	6.090	10	10	HKCE	
CCCCOc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549404	AKLLLLDXVQBUGS-QVNGGLPSSA-N	419.568	7.998	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14552403	XFKDDECNWDTHFD-RQTOMXEWSA-N	414.936	6.727	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2ccc(Br)cc2Br)c1	36956938	GQQNYDOFCSXJJZ-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3cccs3)c(O)c2n1	54619516	RHZMPZJJCKIDPU-HXUWFJFHSA-N	414.452	6.531	10	10	HKCE	
COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1	71815289	WWDCEQZFUBZPEL-HHHXNRCGSA-N	411.501	5.392	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccc(N(CC)CC)cc4)c2c1N)CCCC3	96586964	XWHIGOANBQLCEL-UHFFFAOYSA-N	423.582	5.447	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226670425	CJXMEAGHMRBKNC-UMFSSWHCSA-N	415.581	5.595	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)c(O)c2)c1	526255932	WFFRCGHLOXHOIU-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
Oc1cccc(Br)c1CNCCc1ccc(OCc2ccccc2)cc1	706808378	LOAQGKFRHBOKGC-UHFFFAOYSA-N	412.327	5.066	10	10	HKCE	
CCCCCCN1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S	1858586638	FHDJAHGJFQXECE-XDJHFCHBSA-N	407.601	5.656	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	1860086657	ZAYOJCPMVQKRCS-LFIBNONCSA-N	408.470	5.177	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1OC	1865670987	CWMAIBDKURAWCJ-LTGZKZEYSA-N	422.525	5.469	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(C)cc2)N=C1c1ccccc1	1865674361	BIRCCTCREIUAFE-MOHJPFBDSA-N	410.517	5.614	10	10	HKCE	
Cc1cc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(C)c2cc1C	1866296575	WHSBAWXZLCSIAN-UHFFFAOYSA-N	414.461	5.345	10	10	HKCE	
CCOc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1870783757	HFBJZPFKHXPYHU-UHFFFAOYSA-N	405.542	5.649	10	10	HKCE	
Cc1cc(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc(C)c1Cl	1872860296	IHWKKRUOYRYRMC-UHFFFAOYSA-N	408.929	5.854	10	10	HKCE	
CC1(C)C[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1OCc1ccccc1	2038728628	KICXSJVQDZZEAA-IEBWSBKVSA-N	424.766	5.282	10	10	HKCE	
CC1=NN(c2cccc(C)c2Cl)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2294400626	XUWDTGKQAFNKFE-UHFFFAOYSA-N	421.840	5.623	10	10	HKCE	
CN(C)c1ccc(C=CC2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1	2296374319	YJXSVVJXMDQNKF-HHHXNRCGSA-N	410.565	5.839	10	10	HKCE	
CN(C)c1ccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc1	2321647082	JRHIJAXLNDNBEC-UHFFFAOYSA-N	406.532	5.017	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)ccc1OC	2332114776	OSTSARPQBWOPCH-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
Cc1csc(CN(C)Cc2ccc(C)c(Br)c2O)c1Br	2380765045	JISPZBXJZPDIPF-UHFFFAOYSA-N	419.182	5.228	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459484	SVKPGLDJNLQZFE-WZOHSFFVSA-N	412.489	5.480	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461219	JVMDNRMRSPWTFI-AUSJPIAWSA-N	400.316	5.768	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461994	SNJRPHVIFBZNQP-ZEZDXWPOSA-N	424.588	6.938	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14462136	ZDIWWFBUIWRWNG-OARDWFSCSA-N	424.588	6.938	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2Cl)N3)CC1	14466652	UTGCFBIVQZOIFW-KHCICDEESA-N	406.957	6.039	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21)c1ccccc1	14480310	ASOPNUKHULMGAI-FXSPECFOSA-N	408.545	6.488	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1OC)[C@@H]1CC=C[C@H]21)c1ccccc1	14546378	STFPEVZTZOKRTB-UZINWLIJSA-N	424.544	6.188	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701228	GXTHJNOZVZHDKJ-RLFDGXBXSA-N	407.253	5.442	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)c1Cl	20711937	KMFNOGLLGAZPJC-GHZYGTOFSA-N	416.348	6.378	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3ccccc3OC)N2)c1O	53362877	GXOXNABQROZQHD-ATIYNZHBSA-N	416.521	5.330	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53364502	JVHHTTBVXCQRQA-LADGPHEKSA-N	408.904	5.970	10	10	HKCE	
CCCCCC1(C)OC(=O)C(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)O1	59513101	NHIOJHRBRJZWNI-UHFFFAOYSA-N	409.526	5.491	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1	217068758	UDGIMXXFDFLYIP-IXCJQBJRSA-N	424.592	5.236	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21)N1CCCC1	226745349	QSHKRZILIHYESH-YHEJKZAPSA-N	423.900	5.311	10	10	HKCE	
Nc1ccc(N(C(=S)NCc2ccccc2Br)c2ccccc2)cc1	244402073	YKYLAKRDFMQRGJ-UHFFFAOYSA-N	412.356	5.244	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084397	NAOLNBFFUKIKRV-VGOFMYFVSA-N	415.845	5.470	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	1865664781	ZMYJNTKKYDLCHC-GXDHUFHOSA-N	407.670	5.438	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cc(C)ccc2O)cc1	1865665687	GUVPSYUHGIGBDZ-KGENOOAVSA-N	418.880	5.197	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)cc1	1865668144	IFIKMUHKACKXIA-SSZFMOIBSA-N	422.834	5.867	10	10	HKCE	
CCCCCCC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC	1866090861	DETKLFZVSHWXGO-UHFFFAOYSA-N	407.963	6.463	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2N(C)C)sc(C)c1-c1ccccc1	1866160306	XZEBIGUGIGUUFF-UHFFFAOYSA-N	408.523	5.137	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(F)F)cc1Br	2034747087	MVWREVSADQBBJL-HNNXBMFYSA-N	411.334	5.781	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br	2034779514	BFWWZILGWJMDCG-INIZCTEOSA-N	402.332	5.598	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Br	2231453513	QROZIHAMPADXJU-GOSISDBHSA-N	415.419	6.144	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(O)c(Br)c3)SC2=S)c1	2293847246	IPQXKKYPNVLRDL-UHFFFAOYSA-N	420.353	5.177	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(SC)cc3)SC2=S)cc1Cl	2297366720	FVVAVIMOVVFKGK-UHFFFAOYSA-N	407.969	5.476	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccc2F)SC(=S)N1c1ccccc1	2313507571	VAAIAXSRPAOSEQ-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Cl)c3ccccc3n2)SC1=S	2313830467	VTKQFMHOUIQHIX-CYBMUJFWSA-N	410.951	5.851	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	2321658126	LIHQNXIKNOMVLO-UHFFFAOYSA-N	403.528	6.193	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2323790900	STIUIGQYMZEGKO-UTKZUKDTSA-N	423.603	6.046	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2323790901	STIUIGQYMZEGKO-UWJYYQICSA-N	423.603	6.046	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccccc2F)cc1	2332096407	DAUQOWXTNLHGTN-UHFFFAOYSA-N	414.480	5.281	10	10	HKCE	
CCCCCC[C@]1(C)N=C(c2ccc(OC)cc2)C[C@H](c2cccc(OC)c2O)N1	4729884	FOKFXNMEZZGZLA-RCZVLFRGSA-N	410.558	5.620	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463009	GRLPFYJDHIHMFO-IMSXRSKXSA-N	402.538	5.109	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463402	KBOZJTZXWQSQNR-JXQFQVJHSA-N	408.973	7.029	10	10	HKCE	
CC(C)COc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467717	MQUWUZANBDBFBZ-AVYPCKFXSA-N	404.337	6.560	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477796	UFTBGIXDRLKDFY-RXRVUPSGSA-N	415.364	6.348	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544511	OHGXMLZVAOGPCS-NOMHHCBYSA-N	412.533	6.414	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2	14546398	YJDXGKPRCHBVTD-UMEGOILYSA-N	404.554	5.784	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	226876092	GMOSRYPIVVYIBY-IMWIBFENSA-N	411.461	5.674	10	10	HKCE	
C[C@@H](Nc1ccc(Cl)cc1I)c1ccc(N(C)C)cc1	232234829	KNWSDJOWZMZARA-LLVKDONJSA-N	400.691	5.184	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1cccc([N+](=O)[O-])c1	1860085600	CQQIRBMKQRADEV-RIYZIHGNSA-N	410.398	5.019	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)c(F)c1	1860087442	XWWYOHAEGHSFOC-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
COc1ccc(CCN=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC	1860488927	QMLBYCKFNXXGGI-UHFFFAOYSA-N	421.341	5.763	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865675173	RRMSGDPNCIFCDR-KQWNVCNZSA-N	400.909	5.733	10	10	HKCE	
CC(C)c1ccc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1	1865902877	OQNRXORLSJXAOE-NTCLMWMPSA-N	419.613	5.233	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079040489	LZVDLXDXGLQOHY-OAHLLOKOSA-N	416.827	5.136	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2095953120	CMKUWJRSYPRAES-SFHVURJKSA-N	419.407	5.236	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	2296887137	QQRLPINOIZKSRR-SIKLNZKXSA-N	407.424	5.398	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)SC2=S)cc1C	2297576980	GXDPPGGANUGULK-UHFFFAOYSA-N	423.584	6.453	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C	2313609296	GTROXUZAUDJGOL-UHFFFAOYSA-N	419.955	5.542	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccccc4OC(C)C)C3=O)c2c1	2321692964	YUKBSSWEAGUTBY-UHFFFAOYSA-N	424.547	5.370	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)ccc1F	2332129773	MQJZJOLALHDEOK-UHFFFAOYSA-N	407.670	5.438	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)s1	14456739	WWXLKKHAKXHQCP-VVZHRXSXSA-N	401.575	6.895	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457915	YQUDNNYFHOBFQQ-PPHVANOWSA-N	416.565	5.347	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1O)N2	14460060	GGRSHPYFDGKGEG-KHCICDEESA-N	420.553	5.490	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546263	SCJLHXZQGGXZFM-BCQCSXDESA-N	413.517	5.980	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551088	LTULJTYUFQZWEU-IMSXRSKXSA-N	419.525	5.684	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3cccc4ccccc34)[C@H]2C1	20699004	ZPBYFTKKBBOIFP-OGXMWTIWSA-N	417.552	7.288	10	10	HKCE	
N=C1/C(=C\c2ccc(Cl)cc2Cl)C(=O)N=C2SC(C3CCCCC3)=NN12	33424020	CBZGQDPJHRJIEU-ROBCUIOBSA-N	407.326	5.193	10	10	HKCE	
Cc1ccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccccc3O)CC2)cc1	34683327	KMKBRFSNYACRHL-UHFFFAOYSA-N	418.512	5.151	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=S)cc1	35517947	MWYUUYYLTLCMGD-UNOMPAQXSA-N	422.487	6.205	10	10	HKCE	
CCN(CC)c1ccc([C@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1	103409245	XXAQTSASRFQEPH-HXUWFJFHSA-N	407.568	5.080	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2ccc(C)cc2nc1N1CCCCC1	103546324	QUHAOQRSSOXKLW-HAVVHWLPSA-N	410.521	5.340	10	10	HKCE	
CC[C@@H](Nc1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(Br)ccc1O	311305655	MFLNLBHMIHAFEI-QGZVFWFLSA-N	421.335	6.065	10	10	HKCE	
C[C@H](Nc1c(Br)cc(Cl)cc1Br)c1ccc(F)cc1O	379561851	JUQLKBBYQHGGPW-ZETCQYMHSA-N	423.507	5.883	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	1860084863	SHQMDFZGYJSHQI-RQZCQDPDSA-N	408.375	6.523	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1	1865658222	DZKKUVOXQKPFFZ-UYRXBGFRSA-N	400.444	5.637	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2sccc2C)cc1	1865670914	YZEADVOURJMKNH-DEDYPNTBSA-N	422.937	5.549	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679638	XRBDDFINBKKKNA-OEAKJJBVSA-N	402.881	5.725	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(Cc4ccc(Cl)cc4)[nH]c3c2)c1	1872807105	BANVSTWNPBWBRG-UHFFFAOYSA-N	404.901	5.125	10	10	HKCE	
CC(C)c1nn(Cc2cc(Br)ccc2O)c(Br)c1C(F)F	2079711445	DUYZHMNHTHZINI-UHFFFAOYSA-N	424.083	5.223	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(Br)c1	2231465647	POHXRLBDPMJUDO-FXAWDEMLSA-N	417.391	5.133	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(OC)cc1	2313682206	XRXDMWKDDGMTKF-UHFFFAOYSA-N	406.511	5.194	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=C(C)c3ccc([N+](=O)[O-])cc3)SC2=S)cc1	2314532242	HUYMGNCBKSZAPN-UHFFFAOYSA-N	412.536	5.733	10	10	HKCE	
COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccccc3Cl)SC2=S)c1	2321683401	YCUGXGNPHREXKF-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
FC(F)(F)c1cc(N=NN(Cc2ccccc2)Cc2ccccc2)ccc1Cl	2330181607	FSEFXUSGSFCWHE-UHFFFAOYSA-N	403.835	7.060	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	13614431	PMPCSELVGFJXCO-BOPFTXTBSA-N	423.812	5.020	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456705	IVIDYALFOBLMIH-STWLZBDKSA-N	403.547	6.341	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2)c1ccccc1	14464727	CJCXXJDDDJJALQ-LOLUNWTRSA-N	416.524	6.919	10	10	HKCE	
COC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476515	KHBJOGOGWCPFRV-ZYLNGJIFSA-N	411.501	5.879	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1	14545034	LRHUKMGCRLVUCM-IQANXLHVSA-N	420.556	7.006	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	15228681	HCYIVZMKLCIMFT-LOYIFYEOSA-N	406.485	7.036	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1Cl	17094242	HCPGKDHYGDYVFT-XSFVSMFZSA-N	424.957	5.516	10	10	HKCE	
CCN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	113831868	KBIOOXMKDMLMGU-LICLKQGHSA-N	407.919	5.279	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	226741745	GCEGGVGBEWRVRS-IECBHUPTSA-N	408.973	6.429	10	10	HKCE	
C[C@@H](Nc1c(Br)cc(Cl)cc1Br)c1cc(F)ccc1O	312157572	UHIQHCFHXVCSAI-SSDOTTSWSA-N	423.507	5.883	10	10	HKCE	
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084637290	BREIPLSBODWXIB-YIETZVBVSA-N	400.507	5.937	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(c2ccccc2)=NN1Cc1ccccc1	1865678883	JGUHHXFOLAJZBV-QNGOZBTKSA-N	406.407	5.536	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc(C)c1-c1ccc(C)c(C)c1	1866100422	MRQWNDBQHBAJTR-UHFFFAOYSA-N	415.461	5.657	10	10	HKCE	
CCCCOC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1874151788	PRQCSFXYIVCMKF-UHFFFAOYSA-N	404.510	5.612	10	10	HKCE	
CC[C@@H](N[C@H]1CCCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2102361885	IFBHGUBBFSTMRW-PZJWPPBQSA-N	417.391	5.250	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)cc1	2313502059	LZLSKGBRVBPCLW-UHFFFAOYSA-N	409.363	5.573	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(OC(F)(F)F)cc1	2321734361	JGJARJMTHKJQHD-UHFFFAOYSA-N	417.380	5.269	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	2332139390	BLBKSJNUSRLRKE-UHFFFAOYSA-N	402.497	6.237	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)cc1	6404540	CUBFLDXENMEOMG-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)NC)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642994	SVKQCPZMMDASIN-GCOVDLRRSA-N	421.544	6.001	10	10	HKCE	
CC[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O	20505114	NEZWIQOVEGHNPL-ZDUSSCGKSA-N	409.538	6.678	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1	54620735	RMVDMRCGCISBPZ-HSZRJFAPSA-N	413.477	5.104	10	10	HKCE	
COc1c(Br)cc(Cl)cc1NCc1cccc(Br)c1O	109814739	MWMQEOXWGXVQDG-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2	226653344	ORUGAZWKJBKIKU-OTNCWRBYSA-N	424.610	5.632	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226658939	PTQJIRXAIOCYDH-CZSZKKDXSA-N	404.554	5.205	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226909455	YHEIMPLLSGFHEM-UMTXDNHDSA-N	403.566	6.871	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)N1CCCCCC1	250542942	YWHHCIAGUJEUCH-NYUJMHJJSA-N	411.549	6.011	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c(C)c1	526455266	KKGXQODLGCQDBW-QFIPXVFZSA-N	421.880	5.425	10	10	HKCE	
CCc1nc2ccccc2c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1C	1859616450	IUOVNNFDNPOQCK-UHFFFAOYSA-N	420.468	5.133	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)cc1OCC	1865666780	RQOZPOWRYUKHPM-CPNJWEJPSA-N	412.917	5.329	10	10	HKCE	
CCCN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O	1865668685	KMDLPGDFEUMKRH-BWAHOGKJSA-N	410.517	5.614	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1c1ccccc1	1865680265	FIXGMFKEIWJMCX-RGEXLXHISA-N	404.872	5.618	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(Cl)nc2)sc(C)c1-c1ccc(C)c(C)c1	1866000741	GZMNPFBVHRCYOJ-UHFFFAOYSA-N	414.914	5.428	10	10	HKCE	
C[C@@H](N)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1931960381	AFZGJIUSUUYCJJ-HXUWFJFHSA-N	407.989	5.498	10	10	HKCE	
CC[C@@H](NC1CC(COCc2ccccc2)C1)c1cc(Br)ccc1O	2031751966	JXBNTYZXMQYHJN-OUNSHVDWSA-N	404.348	5.191	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2Br)cc1C	2080001596	LADXUPJNCPPQOS-KRWDZBQOSA-N	405.336	5.077	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1	2321664095	ILSRPPMYQSIECY-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323681156	IZDUZMCJANWNPR-OSFYFWSMSA-N	411.514	5.731	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	2332116692	QDYIWIROWYZMQF-UHFFFAOYSA-N	402.881	5.573	10	10	HKCE	
CCn1c2ccccc2c2cc(/C=C3\SC(=S)N(CCCOC)C3=O)ccc21	7738020	HAHFWGYPMHPVLA-ZHZULCJRSA-N	410.564	5.052	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2)c1ccccc1	14460730	XYIFMKIQLRZNLB-LGVFNWMJSA-N	400.909	6.419	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463035	MNRKWRVOAFZVJO-DEJKCJRPSA-N	416.565	5.545	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469740	YVJGGHQBXZAUFF-FXSPECFOSA-N	411.501	5.879	10	10	HKCE	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(/N=N/c2ccccc2)cc1	20508934	SLKPKBPBHGAQRT-QZQOTICOSA-N	405.330	5.198	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20688296	WUKYEEQBHZUYEX-PQNGQFLHSA-N	403.547	6.341	10	10	HKCE	
O=C(NC[C@H]1CCCO1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1	33031545	PDGVXXRXLXAOQG-XMMPIXPASA-N	414.549	5.322	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21)N1CCCCCC1	226733231	OVVXGXXLKOGUPJ-ZRCGQRJVSA-N	406.957	6.183	10	10	HKCE	
CN(Cc1ccccc1NCc1cc(Br)ccc1O)C(=O)OC(C)(C)C	387790792	UHKBBJRXQCZAPR-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
S=C(Nc1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1	725425903	ZVAGWMFGKKMNAU-UHFFFAOYSA-N	411.328	6.673	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	1084053401	NAQCTZJNQDMRDR-WKSXIXGESA-N	423.607	5.901	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1cc(F)ccc1F	1860087195	GWATUBGFXIJDIR-AWNIVKPZSA-N	402.274	5.677	10	10	HKCE	
Cc1cc(I)ccc1/N=N/N1CCC(Cc2ccccc2)CC1	1860487297	YXNNDWIVPHBADD-QURGRASLSA-N	419.310	5.553	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OCC	1865666194	CHKOZMBTTKMXEE-PXLXIMEGSA-N	424.516	5.595	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865666316	JOAHDLLEVMINIR-MOSHPQCFSA-N	423.299	5.529	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1Cl	1865677767	BOVOUNXNYXXHHE-VKAVYKQESA-N	403.825	5.083	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)cc1	1865990646	SIKMSKMYJSZROJ-UHFFFAOYSA-N	405.712	6.072	10	10	HKCE	
CCc1nc2ccc(C)cc2c(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)c1C	1866270988	MEHKKBQZCZREGP-UHFFFAOYSA-N	411.505	6.041	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1Br	1915410053	KQDNUQQGVLVMQP-QZTJIDSGSA-N	419.407	5.287	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2CCCCC2)cc1Br	2095888494	HOXWZIYGUMRVHA-SFHVURJKSA-N	415.419	6.459	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2095950696	DQIKNOYWISCLPU-MOPGFXCFSA-N	417.435	6.561	10	10	HKCE	
Cc1ccc(C2=CC(=Cc3ccc(-c4ccc(C)cc4Br)o3)C(=O)O2)cc1	2313510618	WJYVESLOOZGZQT-UHFFFAOYSA-N	421.290	6.307	10	10	HKCE	
CCCCOc1ccc(N2C(=O)C(=CN3CCCC[C@@H]3CC)SC2=S)cc1	2313609800	NMCDDLXSVHWWGJ-INIZCTEOSA-N	404.601	5.336	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)c1	2314731654	FGCNZCOAVSTRIF-UHFFFAOYSA-N	411.548	5.393	10	10	HKCE	
O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2314769633	SYGZNYAAKGRCTP-HNNXBMFYSA-N	424.330	5.021	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)cc1	2321586498	HXKJYIMUVNAYGG-UHFFFAOYSA-N	411.548	5.222	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccc(C)cc1	2332111088	XMFGDCLLMCYAIS-UHFFFAOYSA-N	420.553	5.620	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133182	LRYUKNKAEMYHHM-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
Cc1cc(Br)c(NCc2ccc(C)c(Br)c2O)cc1Cl	2381139857	BULRBXPIZPZZSO-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CCN1C(=O)/C(=C\C=C\C=C\C=C2/Sc3ccccc3N2CC)SC1=S	5868460	VFQFGSGWFBLAPU-HLRGPRNRSA-N	400.594	5.337	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476813	ZYHIBTIYJOIMNB-PFPZSTESSA-N	424.544	6.441	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2)c1ccccc1	14480379	AHXUKPQVCNLJMQ-OASJLCFRSA-N	408.545	6.488	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14550453	SWXCUWASWHVZJF-CLCZQPDDSA-N	413.517	5.980	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@@H]21	20752182	FCLITVTXDGRTIV-UTAZYMRLSA-N	412.533	5.902	10	10	HKCE	
Nc1ccc(N(C(=S)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1	243924160	RSRTUJRVMUXBPZ-UHFFFAOYSA-N	421.875	6.476	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21	253562457	DHHPXZADNWDBKI-UKBAYJJMSA-N	402.925	5.745	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccccc1Cl	253572605	QJIXMIRHUHUUSH-BSDSXHPESA-N	402.925	5.745	10	10	HKCE	
CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1	526293829	JGSKBYMELCVPKO-DEOSSOPVSA-N	414.505	5.209	10	10	HKCE	
COC(=O)c1c(NC(=O)Cc2ccccc2OC)sc(C)c1-c1ccc(C)c(C)c1	1865943021	XBKORVZFMBHRDU-UHFFFAOYSA-N	423.534	5.317	10	10	HKCE	
CCc1nc2ccc(C)cc2c(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c1C	1866271576	UBKLYEHBMYJMOB-UHFFFAOYSA-N	409.533	5.839	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)O)c(Br)c1	1915409347	ASBUZAZDLWDEFQ-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(N)c2Br)C(C)(C)C)cc1C	2080030269	KOCONEUKYDKTRH-QGZVFWFLSA-N	408.384	5.483	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	2297470754	YANTUGXYKYQUBK-UHFFFAOYSA-N	419.554	5.130	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2314532438	JBRSRUPGQCNEFB-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	2321637567	MLNHLEKZQUOLDO-UHFFFAOYSA-N	414.939	5.544	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	14551087	LTULJTYUFQZWEU-LGVFNWMJSA-N	419.525	5.684	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	16926522	ZYELMEABUOFJHT-VKAVYKQESA-N	409.548	5.232	10	10	HKCE	
Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1	20451975	IPMZOHIGXQFIKT-OAQYLSRUSA-N	404.533	5.037	10	10	HKCE	
CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1	34235148	OFMYSENRZKUNMG-AUWJEWJLSA-N	419.264	5.329	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)c(OC)c1)N2	226706908	IJVYSWQJMSYYMR-OHUGHZGNSA-N	420.553	5.490	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2)N1CCCCCC1	226730465	VIHIKQWEQDIELQ-IMWIBFENSA-N	406.957	6.183	10	10	HKCE	
CC[C@H](NCC[C@H](C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	379641856	YPPWRWKHLHZZDG-JXFKEZNVSA-N	405.380	5.106	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1cccc(Cl)c1C	575733366	CJZPYKCEMJHTSV-LJQANCHMSA-N	423.929	5.955	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858588729	WUEDWMLHHBRXMF-LZVCNBGXSA-N	411.514	5.731	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	1860085311	CTUMIODBVFYDMK-LTGZKZEYSA-N	424.591	5.481	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OCC	1865666355	HFOJQCJMZHQKBS-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)O)cc1	1865675454	JBKHRDULHCWTMW-MHWRWJLKSA-N	417.292	5.274	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc2ccccc12	1891682762	XGJKXNOWTPOQMJ-UHFFFAOYSA-N	402.447	5.042	10	10	HKCE	
C[C@@H](O)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1931961321	SAMATPIMIXRAMG-HXUWFJFHSA-N	408.973	5.532	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(CN)c2Br)C(C)(C)C)c(O)c1	2079012841	AKMBBVVCISFXSP-SFHVURJKSA-N	406.368	5.021	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079041062	UUSJGJJRAKFMHV-OAHLLOKOSA-N	418.843	5.382	10	10	HKCE	
CC[C@@H](NCc1scc(Br)c1Br)c1ccccc1O	2094177427	OHMFKPAIVLEHRQ-LLVKDONJSA-N	405.155	5.220	10	10	HKCE	
O=C1C(=Cc2ccc(Br)s2)SC(=S)N1Cc1ccc(F)cc1	2293391494	JASVWEDGNHMTCN-UHFFFAOYSA-N	414.346	5.051	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl	2297357191	DINUIRDJPIQDEU-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1	2313507379	IYFXZCWQCRQBFW-UHFFFAOYSA-N	411.479	5.500	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(F)c1	2318756111	HLQQEJHRLRYPDR-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1	2323752589	WGWWTUUROVTSEO-UHFFFAOYSA-N	419.984	5.067	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1	9296606	HZESSFREUISFII-XDHOZWIPSA-N	422.487	5.569	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477342	HWUSAPDVRQJHBZ-PDSXEYIOSA-N	401.337	5.960	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OC[C@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14547016	NGKJMTLLGWFGTD-TZAYQFTISA-N	416.348	6.378	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCCC1	14548046	SSVOLFUCYIDHME-DYRZZGSRSA-N	410.517	5.608	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20754515	XDZPCMUZVWSPLO-PQNGQFLHSA-N	404.529	6.057	10	10	HKCE	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	33424324	RVBBYASMMLVPLW-VKXGLNTFSA-N	418.522	5.075	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(/C=C1/C(=O)N(c3ccccc3)N=C1c1ccccc1)=C2	33523504	KCPUCEWAMVFVTN-KIJZHVTOSA-N	422.484	5.237	10	10	HKCE	
Cc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	33560869	BNCMZGUFGCHNEI-GZTJUZNOSA-N	413.260	5.023	10	10	HKCE	
CCCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S	208275397	BZAAENUHMBMUDR-XMHGGMMESA-N	411.596	5.145	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(/N=N/c2ccc(C(F)(F)F)cc2Cl)CC1	1860484629	WXMOKYNLWZJJCJ-GHVJWSGMSA-N	406.836	5.300	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865674331	ZYKSEHBGGZZQSC-KGENOOAVSA-N	410.945	5.957	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc([C@@H](C)NC)c(Br)c1	2035634267	HAHKXQLEXOTGTJ-QGZVFWFLSA-N	405.380	5.163	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccccn3)cc2)SC(=S)N1c1ccccc1	2042454518	UBTNAILBUODYSJ-UHFFFAOYSA-N	404.516	5.066	10	10	HKCE	
CC[C@@H](Nc1ccc(C)nc1Br)c1cc(Br)ccc1O	2181677530	IPORHQLFPUJYIJ-GFCCVEGCSA-N	400.114	5.184	10	10	HKCE	
CC[C@H](N[C@H](C)c1nscc1Br)c1cc(Br)ccc1O	2186651994	MECKGWGGVOJUKP-PELKAZGASA-N	420.170	5.176	10	10	HKCE	
COc1ccc(C=CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1	2297332696	IVNQBDUJXNLIHN-UHFFFAOYSA-N	401.510	5.194	10	10	HKCE	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)SC1=Cc1ccc(Cl)s1	2297555521	QLVDIYBGZNAKQG-UHFFFAOYSA-N	402.972	5.327	10	10	HKCE	
CCc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	2313683609	IRSLFLUZHLWWQR-UHFFFAOYSA-N	411.505	5.395	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=N)N(c3ccccc3C(F)(F)F)C2=O)cc1	2314835256	BTAXEOWZHZJYDH-UHFFFAOYSA-N	419.472	5.607	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(CCC3=CCCCC3)C2=O)cc1	2323839797	ZHBIRUQUHHIRKF-UHFFFAOYSA-N	400.613	5.625	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106890	SFIXJDZDEUIENR-UHFFFAOYSA-N	412.917	5.724	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12	2332132652	XBROIOJMAIWFBM-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccccc2Cl)N=C1C(F)(F)F	2332133208	OKYCDSVQSIDVNF-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
Cc1ccc(CNc2cc(F)c(Br)c(F)c2)c(O)c1Br	2380806314	CVBGWQCHLVUOAU-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3O)C2)cc1	4730038	FIKBKRWWPDWUPY-JTHBVZDNSA-N	411.332	6.230	10	10	HKCE	
C[C@@H]1CCCN(c2cc(NC3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737917	GIIJGBOXNKYIIS-MRXNPFEDSA-N	415.537	6.020	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	14480507	LOAPUCDWDTUTHQ-ZWOKBUDYSA-N	417.290	5.516	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1O	20690908	HLAUFWPVRUAAKC-FHAGJXEFSA-N	418.537	5.244	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3ccc4ccccc4c3)[C@H]2C1	20708418	IHAOVWDTCDBECA-FEVNIDIWSA-N	417.552	7.288	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3ccccn3)c(O)c2n1	54619500	BFOPHCRAVVWLFK-NRFANRHFSA-N	409.411	5.864	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226901639	XXRUIGZJVJWOPY-NYULUDCUSA-N	418.540	6.569	10	10	HKCE	
CC[C@H](NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	723948009	NXVBDEKLDIGCGJ-RXVVDRJESA-N	417.391	5.108	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	1860084721	DWIMRLRYNJQKQX-RCCKNPSSSA-N	403.528	6.193	10	10	HKCE	
Cc1cc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)ccc1Br	1860087284	MXCKKTXSFPDUAA-OQLLNIDSSA-N	408.317	5.302	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865654296	PDAQLJQFKZIJQF-JCMHNJIXSA-N	401.897	5.241	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	1865673419	CSORVAASUAVVES-PLRJNAJWSA-N	409.533	5.676	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C[C@H]3CCCC[C@@H]3c3ccccc3)cc2)cc1	1866152721	ZNBAKMUVQCGUDG-CJFMBICVSA-N	400.522	6.364	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H](O)CC)cc1Br	1915396310	BJUZRUJDGMPRER-PXNSSMCTSA-N	419.407	5.287	10	10	HKCE	
Cc1cccc([C@@H](C)n2ncc(C3CCCCC3)c2I)c1O	2070310496	SUERIMFCURIUPJ-CYBMUJFWSA-N	410.299	5.159	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CC[C@H]1CCCN2Cc1ccccc1	2145604761	ORRIUQUOGMDWDE-GCJKJVERSA-N	405.369	5.233	10	10	HKCE	
Oc1cccc2c1[C@@H](Nc1ccc(Cl)c(I)c1Cl)CC2	2150350060	ZWQLLPFSGLEOSK-JTQLQIEISA-N	420.077	5.403	10	10	HKCE	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1cccc(Oc2ccccc2)c1	2293308472	YLSVGZIWBLYTHI-UHFFFAOYSA-N	423.299	6.592	10	10	HKCE	
COc1ccc(Nc2ccc3ccccc3c2N=Nc2nc3ccccc3n2C)cc1	2297709241	SRHHDSIUCHZZMQ-UHFFFAOYSA-N	407.477	6.894	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321585732	WDISCHWJIYAHJO-UHFFFAOYSA-N	408.331	5.602	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1	2321592571	OQCPVNHVJZHKLE-UHFFFAOYSA-N	407.564	5.391	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1	2321717879	CEEDNXMKDXQOQL-UHFFFAOYSA-N	417.939	5.313	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2sccc2C)cc1	2332127703	ZIWNGZLTKHAQII-UHFFFAOYSA-N	422.937	5.549	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1F	2332129874	WWIZCYZOHITKSP-UHFFFAOYSA-N	421.697	5.828	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Br)ccc1F	2332129892	YSRCGMFNWIHOIZ-UHFFFAOYSA-N	423.285	5.938	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Br)cc1	2332147422	CMNLLNRRTSRUEM-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@@H]21)C1CCCCC1	20679921	PWCLRDPFTLQHLL-PQNGQFLHSA-N	402.538	5.623	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	20688705	QQOWMSFQDZADNJ-DNRQZRRGSA-N	414.574	6.454	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc4ccccc4c2)[C@H]2CC=C[C@@H]32)CC1	20708288	IOVNCCXTKRFCIV-ONBPZOJHSA-N	422.572	6.538	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363960	PAXNZKFDOVYBQJ-RCZVLFRGSA-N	420.940	5.975	10	10	HKCE	
O=C(O)c1ccc([C@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1	59267192	OYQYAHPUBRQEQE-OTNCWRBYSA-N	413.542	6.504	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CC[C@H](COCc3ccccc3)C2)c(Br)c1	384165466	RMOFNBHCMGYVCJ-HKUYNNGSSA-N	417.391	5.163	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858588733	WUQBENFRABTNAE-NIURYNPZSA-N	412.407	6.019	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(C(C)(C)CC(C)(C)C)C3=O)c2c1	1858590370	MOWKDHMPOYNYJK-RQZCQDPDSA-N	402.585	5.593	10	10	HKCE	
CC(C)N(C(=O)Cc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859888995	BUPCPGWDEMXRBC-UHFFFAOYSA-N	417.892	5.100	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917398	OZMOAJCRIGPAOH-CQSZACIVSA-N	419.427	5.186	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	1860086297	WRUGLHGMQCYXLF-FYJGNVAPSA-N	411.592	6.251	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc1OCC	1865667691	KZKDEARRQNDNFQ-OQKWZONESA-N	420.553	5.846	10	10	HKCE	
O=C(O)c1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)N=C1c1ccccc1	1865673890	CKSNVSMFLZYWQB-QJOMJCCJSA-N	418.452	5.373	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(F)cc2)cc1	1865677511	MXAZBURPRXDUMC-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2095920627	HCFUQSGWKJJRSC-GOSISDBHSA-N	417.435	6.562	10	10	HKCE	
CCCNCc1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c(Br)c1	2100210358	LEVXLUNSKWHIML-VXKWHMMOSA-N	417.391	5.133	10	10	HKCE	
CCOc1cc(N(CC)CC)ccc1C=C1SC(=O)N(CCc2ccccc2)C1=O	2297459872	MBZVNMNIDNNQEC-UHFFFAOYSA-N	424.566	5.211	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2297512869	IUYYIXGNVRAYOI-UHFFFAOYSA-N	409.363	5.465	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OCC	2332113782	JJBSQIYEGUZFGU-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)C(C(F)(F)F)=NN1c1ccccn1	2332141048	DPJVGFGAELQMSB-UHFFFAOYSA-N	423.394	5.009	10	10	HKCE	
Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1ccc(C)c(Br)c1O	2352952202	MLIZJVIEDSBGPG-UHFFFAOYSA-N	421.335	5.731	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461153	UAYFAKNCLMIFRJ-GCKMJXCFSA-N	414.343	6.016	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469589	NBJIZZSOUCMFEN-WATLYSKOSA-N	422.355	7.399	10	10	HKCE	
COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	14469669	CUGCSBMTGUAMIL-UFPGJGBJSA-N	413.517	6.109	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476419	XWZBUDMFAPGAEH-CUVVAGTFSA-N	401.937	7.054	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480110	JQOOPRMVTZBTSZ-ZEVJAHDQSA-N	408.545	6.094	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548199	PBHZTCFXLNLYRS-LZCXECNNSA-N	401.506	5.787	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20698510	UDZAJXPAWKIMIR-OASJLCFRSA-N	408.545	6.889	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	20712696	HNJYFGLXAPLNQD-SIFCLUCFSA-N	417.336	5.196	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1OC	20715477	QIRXAVBXZRZIBZ-IECBHUPTSA-N	418.537	5.156	10	10	HKCE	
COc1ccc(N/C=C/C=C\C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1	38170458	FCTVOIDLRCJQFI-XRIABRBCSA-N	422.575	5.164	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1NC1CCCC1	256017930	PEOGXCHABNHFQT-UHFFFAOYSA-N	403.446	5.898	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590879	MUXFBIFPXHXLCE-FRKPEAEDSA-N	424.418	6.163	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cc(Cl)ccc2Cl)C1=O	1860085095	MMVNTPHFLBAJQJ-OQLLNIDSSA-N	420.346	5.355	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2CC)cccc1OC	1865668842	SOLGNXNPKIHOSW-XMHGGMMESA-N	412.917	5.329	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865674286	XIYXCWOJZGRYOV-CJLVFECKSA-N	416.908	6.115	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1	1866081818	FTBLKZYERSYMIH-UHFFFAOYSA-N	415.537	5.555	10	10	HKCE	
CCc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(CC)CC)cc4)nc3c2)cc1	1872734809	YQIBAIQDRJRLJG-UHFFFAOYSA-N	412.537	5.891	10	10	HKCE	
O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891284587	HKAWUBPDRSCNPI-RXVVDRJESA-N	415.002	5.517	10	10	HKCE	
CC(C)(C)c1nn(Cc2cccc(Cl)c2O)c(Br)c1C(F)(F)F	2079694150	NIUHTOLNOFGOQS-UHFFFAOYSA-N	411.649	5.369	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	2159218524	WFFVYFBXYYLNMT-IRTIRVBGSA-N	405.369	5.232	10	10	HKCE	
FC(F)(F)c1cc(CNC2CCC2)ccc1N(Cc1ccccc1)Cc1ccccc1	2217122188	GFVZAJUSSNNCLY-UHFFFAOYSA-N	424.510	6.554	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)CC2CC2)cc1Br	2223539746	QIFPRPLQWYXYLK-QGZVFWFLSA-N	401.392	5.754	10	10	HKCE	
Clc1ccc(COc2ccc(C3CCCCC3)cc2/N=N/c2ccccc2)cc1	2295356142	OGBCYJUYADKQLU-BYYHNAKLSA-N	404.941	8.382	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O	2321602895	NTDVWWHFOXAWME-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2321703793	XSBUEQFCZPPRLW-UHFFFAOYSA-N	419.571	6.280	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc1	2323865145	NFTFHTJPVVAWHE-UHFFFAOYSA-N	416.999	5.588	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	2332104322	VSRABMOZLRVRPY-UHFFFAOYSA-N	414.936	6.294	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccccc2OC)cc1	2332143111	FOHRSMBGGALSDQ-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(CNC2CC3(C2)CC(OCc2ccccc2)C3)c(O)c1Br	2352669162	BKZPVTBEHYXJBF-UHFFFAOYSA-N	416.359	5.081	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471375	FBPWHJNZTWYFNI-DMPWYTOCSA-N	411.889	5.813	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1	14550383	RRKVMQVSZQAEEY-SGIRGMQISA-N	416.565	5.926	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20704507	YHOVTCIWUWWTBL-STXHMFSFSA-N	411.889	5.213	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(F)cc2)[C@@H]2CC=C[C@@H]32)cc1C	20754549	KCRPJMWSQBBBTP-TZBSWOFLSA-N	412.508	6.521	10	10	HKCE	
Cc1nccn1Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	110833460	QUDTYKRHSWQJNH-UHFFFAOYSA-N	402.473	5.039	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226711390	XQCDBINUBYEAEZ-RLFDGXBXSA-N	405.223	5.029	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@@H]32)c1	226786344	RHRNWTZKVCXPQX-UMFSSWHCSA-N	424.544	6.391	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899281	FGUQIAYQUVLUQJ-YIIWZEITSA-N	419.568	7.998	10	10	HKCE	
CC1(C)C=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@H]21	247835473	NCEPWFNFYROBQZ-HJOGWXRNSA-N	400.478	5.342	10	10	HKCE	
COc1ccc([C@H](C)Nc2cc(Br)cc(Br)c2)c(O)c1	690331700	BHNGVUYMQFJSFU-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1	1858590432	QDYRUUUFPSSCJL-NBVRZTHBSA-N	404.645	5.949	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1	1860073592	WEUAFWNMSQWCFF-LICLKQGHSA-N	405.928	5.071	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3[nH]2)sc(C)c1-c1ccc(C)cc1	1865976567	XAELOYNZPRDESS-UHFFFAOYSA-N	404.491	5.552	10	10	HKCE	
CCCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OCCC	1874173573	FBRJVHNOXVRPFT-UHFFFAOYSA-N	420.553	6.232	10	10	HKCE	
CN(Cc1ccc(Br)s1)c1ccc(CNC(=O)OC(C)(C)C)cc1	2006174279	FODCJZWQFMWCED-UHFFFAOYSA-N	411.365	5.172	10	10	HKCE	
O=C1Nc2ccccc2C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	2042446590	PSTZLKOGDIHRHI-UHFFFAOYSA-N	419.311	6.489	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2079997654	GHRTYWVXORMQPV-HXUWFJFHSA-N	402.922	5.303	10	10	HKCE	
CC(C)(C)OC(=O)N1CCc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc21	2145208442	YUIZAXHRCYSDIX-UHFFFAOYSA-N	409.313	5.609	10	10	HKCE	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1c(F)cccc1Cl	2313499125	OBEPMLKGPABHOK-UHFFFAOYSA-N	406.240	5.010	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	2318756104	GUJDLONSIOQPOD-UHFFFAOYSA-N	422.575	5.401	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	2321734285	SPDLFYPTIXWULA-UHFFFAOYSA-N	409.454	5.553	10	10	HKCE	
Cc1ccc(CNc2ccc(Cl)cc2Br)c(O)c1Br	2352694058	QTJLGVADLAEJEP-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCCCCCOC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1	6569754	OQBBVMGDHBUQPL-UHFFFAOYSA-N	418.331	5.216	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)cc1	13635778	ZVJDJAWVFODXFI-FXSPECFOSA-N	424.544	6.391	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(NC(=O)CCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456245	QQOWMSFQDZADNJ-BKSPAHHJSA-N	414.574	6.454	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465053	CPKBACYWVWHNFU-WFXMLNOXSA-N	416.974	5.243	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14545798	IVMKSLXDIQZBOI-WOVHNISZSA-N	416.565	5.928	10	10	HKCE	
O=C(O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	16932833	UDZPTSXWNQZJKY-ZSOIEALJSA-N	410.303	5.097	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	20703642	BFTGQGYXVNNLSR-TZBSWOFLSA-N	410.517	5.452	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1ccc(N=Nc2ccccc2)cc1	40586372	NTRBESFCLVJJSL-UHFFFAOYSA-N	412.413	5.682	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(OC(C)C)cc3)c3cccs3)c(O)c2n1	54621504	QOWQMMBUBYQELR-HSZRJFAPSA-N	404.535	6.299	10	10	HKCE	
Cc1ccc(/C=C2\SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1	59397734	NKMCOLAKTRYGIK-NVNXTCNLSA-N	413.873	6.073	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc4ccccc4c2)N3)CC1	226842646	KHUFXWSYIMYKJK-INNMJMHTSA-N	422.572	6.538	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1Oc1ccccc1	256017839	AJQADQORBIXVLW-UHFFFAOYSA-N	412.409	6.336	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	1084036314	PEIRAQYQMXXOCA-UHFFFAOYSA-N	412.671	6.429	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1	1860085711	VTMIWDIMYMYSEP-LICLKQGHSA-N	417.939	5.095	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)cc1	1860087773	SQIGSITYBWQHLD-LICLKQGHSA-N	423.481	6.114	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1cccc(OC(F)(F)F)c1	1860087788	UFTCCJXQEJJBDS-VGOFMYFVSA-N	417.380	5.269	10	10	HKCE	
CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)C)c(Br)c1	1915217041	LOOARHRELLZWDZ-JOCHJYFZSA-N	419.407	5.115	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080032427	DHMCRZIELUNSIC-OAHLLOKOSA-N	416.827	5.054	10	10	HKCE	
CCN[C@H](CCCNC(=O)OCc1ccccc1)c1ccc(N2CCCCC2)cc1	2236024157	SIGSSVBHJSKEJI-XMMPIXPASA-N	409.574	5.034	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S	2297347298	SPWQBTSIGJIXLM-UHFFFAOYSA-N	419.955	5.019	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)c1O	2321602859	BJZJFMLHYJJJJY-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccccc2F)cc1	2332096457	JXBQATABKFSYNW-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OCC	2332106841	MRHKYUQIUQAVGV-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@H](C)CC)ccc21	3585592	XRIDALCWBYRSNY-OAQYLSRUSA-N	423.670	6.545	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	14460552	UWGXTWPSDYLSQW-DXBVXKBHSA-N	415.964	7.178	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476542	FBWYBAIXUOXLDW-RHGYRFJNSA-N	422.355	7.399	10	10	HKCE	
CN(Cc1ccccc1)c1ccc(C(O)c2ccc(N(C)Cc3ccccc3)cc2)cc1	96327335	IBLOCFJQUQOQPD-UHFFFAOYSA-N	422.572	6.041	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1	226654221	OQNWPNPHUZADPE-SNUWEPMUSA-N	422.572	6.368	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226736259	DEWXQNSZZGERNA-SIFCLUCFSA-N	404.293	5.754	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21	226777465	MCQACANGXHKRHK-OTNCWRBYSA-N	410.517	5.191	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226866134	JQOOPRMVTZBTSZ-UMFSSWHCSA-N	408.545	6.094	10	10	HKCE	
CC(=O)N(C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc(N)cc1	242763313	DNQQTOOCANXHNU-UHFFFAOYSA-N	416.506	5.439	10	10	HKCE	
CCCN1N=C(c2ccccc2)/C(=C/c2ccc(OCc3ccccc3C)cc2)C1=O	1865676766	OWXLQWMJIYRBTQ-BWAHOGKJSA-N	410.517	5.614	10	10	HKCE	
CSc1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)c1	1872738639	QJWWIAXKIBQZLA-UHFFFAOYSA-N	402.523	5.270	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc4c(c3)CCCC4)cc2)c1	1872866696	VQQRNVIMVUHATL-UHFFFAOYSA-N	400.522	5.463	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccc(F)cc2)cc1	1892116595	WPDOUGJQZGHWCZ-UHFFFAOYSA-N	410.495	5.417	10	10	HKCE	
COc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2Br)C(C)(C)C)c(O)c1	2080008281	YYGCVNNNIUEIEI-GOSISDBHSA-N	421.335	5.075	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1	2296394103	WSEJSTGPFRWION-OAHLLOKOSA-N	418.522	5.246	10	10	HKCE	
O=C(C=Cc1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1	2296441419	GXQVKTRLDIKLCQ-SANMLTNESA-N	418.496	5.937	10	10	HKCE	
CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1	2314732396	QVZBKZDPZHJDGR-UHFFFAOYSA-N	411.548	5.393	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2323852034	IPGJHFLYGYXWDC-OAHLLOKOSA-N	412.418	6.009	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1ccccc1F	2332104205	MOPAWNCRBMZFDU-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CCC)cc1OCC	2332106694	VJAOEQZVZGNBHR-UHFFFAOYSA-N	420.553	5.846	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	2332130954	WQUIBCPSPADXNZ-UHFFFAOYSA-N	419.422	5.016	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1OC(C)C	2332133840	HNKBXUCOUHMSGM-UHFFFAOYSA-N	417.336	5.972	10	10	HKCE	
C/C(=C1\SC(=S)N(Cc2ccccc2)C1=O)c1ccc(Br)cc1	1476351	HJXDRBIJSGUWNW-FOWTUZBSSA-N	404.354	5.241	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21	13637328	MCQACANGXHKRHK-HWBMXIPRSA-N	410.517	5.191	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccc(O)cc2)[C@@H]2CC=C[C@H]32)cc1C	13637582	OMDUBRZPWRARLR-SGIRGMQISA-N	410.517	6.088	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21)N1CCCCC1	14478158	PMWITDKHAIRZLT-GSHUGGBRSA-N	403.482	5.047	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544391	KABMSHVAWOAWIJ-BCQCSXDESA-N	415.533	6.090	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	20756529	UVOFXRSELYQECE-TXTKFYIRSA-N	417.509	5.484	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20759088	PBOZBTCOYAPXQS-VIZSFHNOSA-N	404.579	5.861	10	10	HKCE	
CN(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1	59377329	VHBLSOPXRVDILK-RQZCQDPDSA-N	422.337	5.165	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226685627	VUHRDWAXUASMPY-GREBRCKQSA-N	406.595	6.288	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226850060	CDYNEZKSKLVMSC-VWKPWSFCSA-N	400.736	7.627	10	10	HKCE	
CC(=O)Oc1coc2c(N=Nc3ccc([N+](=O)[O-])cc3)cc3c(C)cc(=O)oc3c12	254404765	YCHPRDXOTBJZKS-UHFFFAOYSA-N	407.338	5.097	10	10	HKCE	
CCN[C@@H]1C(=O)Nc2cc(N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc21	380886165	OYSFHRVZPVMALS-QHCPKHFHSA-N	405.929	5.150	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccc1F	1860087593	IXAWYPWSEAZGPP-OQLLNIDSSA-N	413.417	5.439	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CCC)cc1OCC	1865665459	UTKVKIPFCIGSNJ-KNTRCKAVSA-N	407.514	5.246	10	10	HKCE	
CCCOc1cccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)c1	1865668625	IKYWGOMEGGCXOW-WOJGMQOQSA-N	403.309	5.584	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	1865670085	HWPWTGHAFVVOCW-QOMWVZHYSA-N	424.544	6.399	10	10	HKCE	
CCOC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc(C)c1-c1ccccc1	1865741893	CKGUURQEADKGNG-UHFFFAOYSA-N	407.535	5.698	10	10	HKCE	
CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)C)cc1Br	1915197815	IPDCONGSDXPUAQ-QFIPXVFZSA-N	419.407	5.115	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1Cc1ccc(Cl)c(Cl)c1	2297303333	OKXYMEQIBMLSFW-UHFFFAOYSA-N	424.330	5.124	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2cccc(OC(C)C)c2)SC1=S	2321601655	YJXFFYZQEQAAKZ-UHFFFAOYSA-N	403.956	5.841	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2321698185	DTULZQKXIGHRAD-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccsc3)SC2=S)cc1	2321698467	JLMVXRJHNGLJPY-UHFFFAOYSA-N	403.594	6.113	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134228	ZJFNEWNCRMAIDV-UHFFFAOYSA-N	424.500	5.406	10	10	HKCE	
C/C(=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1	2700409	VESYBZBOZQQLQH-XNTDXEJSSA-N	413.873	6.155	10	10	HKCE	
CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1	4730047	BOCQBTDETHRKSO-QUCCMNQESA-N	421.766	5.704	10	10	HKCE	
COc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC	9228585	SJYJTLAQIQSFHV-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457187	IIHOTINARXOJBR-GLDPYIMESA-N	418.537	5.290	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459210	MSAZERKXGOKMHM-XLNZFTOWSA-N	418.537	5.099	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@H]2C=CC[C@H]21	14544491	OLLQDUWOZQUONA-OREGWCPLSA-N	424.544	5.911	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3[C@@H](C)CCC[C@H]3C)cc1)CC[C@@H](C)C2	20532496	HULANHNBNWIAED-NJYVYQBISA-N	421.629	5.293	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226667174	HZDSOQFURXNGGL-SLSDLSHTSA-N	415.581	5.642	10	10	HKCE	
O=C(c1ccccc1)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1	254482578	QXMRHIVMGOJXRT-UHFFFAOYSA-N	422.466	5.139	10	10	HKCE	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2cccc(Br)c2O)c1	398712469	DLJNSRFHLMJVSN-UHFFFAOYSA-N	421.335	5.100	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2cccc(NCc3ccc(Br)cc3O)c2C1	691453666	JHDRILNEDMFJQU-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1083955318	IHYHHVJSAKPRRU-CYFREDJKSA-N	415.537	7.412	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC	1858589833	LVBWAVBMXQYOHA-FTRLWIBISA-N	405.585	5.264	10	10	HKCE	
CC[C@@H](C)N(C(=O)c1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O	1859910700	MBFOESFFBYVBHW-OAHLLOKOSA-N	417.892	5.561	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1	1860086298	WTYBRJDZVQNANY-RCCKNPSSSA-N	405.544	6.034	10	10	HKCE	
FC(F)(F)c1ccc(/N=N/N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1	1860484373	KGMWYJZLCKLAHG-WCWDXBQESA-N	403.235	5.833	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(Cl)c1	1865656649	PYNRFIGOPUKDTO-SFQUDFHCSA-N	403.707	5.689	10	10	HKCE	
CCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865676298	AOHKBJIYEQPBRF-LTGZKZEYSA-N	416.908	6.115	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C	1874142072	CZVYCALBRSZMLD-UHFFFAOYSA-N	412.489	6.147	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034703144	YYISCQOPGXYFFF-QGZVFWFLSA-N	401.392	6.056	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1c(N)cccc1Br	2106254033	YKROXJFDDOFIIT-KRWDZBQOSA-N	418.335	5.478	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1	2321613568	HHRSCOMYWZVLIS-UHFFFAOYSA-N	404.354	5.417	10	10	HKCE	
Cc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	2332148934	QABMVOLLTSFVST-UHFFFAOYSA-N	413.226	5.646	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	6707073	BFPNPUOQODBWAM-HWBMXIPRSA-N	416.546	5.622	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(N(C)C)cc1)c1ccccc1	13590845	GQUDYIZSUMQXEL-GUKKWNCZSA-N	407.517	5.642	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2	14552374	IFIRIUZPSXXDSH-SXWKCWPCSA-N	400.547	6.444	10	10	HKCE	
COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3C)C2=O)cc1	33309139	OKLRFLKCNZIKCP-YBEGLDIGSA-N	420.353	5.172	10	10	HKCE	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S	40005926	VGTOJSKBLFSWEL-UNOMPAQXSA-N	417.527	5.025	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1	101350157	DTSQMIUEPYPFLS-ATVHPVEESA-N	418.909	5.821	10	10	HKCE	
CCCCOc1ccc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)cc1OC	208360678	OOUBZCUOFCBBQK-RCCKNPSSSA-N	410.539	5.519	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226722668	LWSYTWGCEJMWQK-RGODFAACSA-N	424.588	6.929	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226848083	NHBQZWSNVHRRKJ-UQARTHHBSA-N	424.588	6.938	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	226855985	JMUBKEXAWIKJQM-NYULUDCUSA-N	408.545	6.393	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226863412	SRISMDXKOXIWMI-PZPWOCDFSA-N	415.364	6.348	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226887294	XZCUDOSWRGYLPL-OHUGHZGNSA-N	410.517	6.164	10	10	HKCE	
Nc1ccc(N(C(=O)OCCc2ccc(Br)cc2)c2ccccc2)cc1	244014460	SMSRPOQRPLXQGC-UHFFFAOYSA-N	411.299	5.549	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588519	KBLAEKDUISBREN-UBXHHEHWSA-N	401.597	5.500	10	10	HKCE	
CCc1ccccc1N1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S	1860075942	ZKNJREBCRURKQI-RIYZIHGNSA-N	419.984	5.326	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Nc2ccccc2)cc1	1860086357	BHRWCQQHZXDOQN-XSFVSMFZSA-N	406.507	5.975	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865669091	BACSKKQQYYGAAT-PDGQHHTCSA-N	422.834	5.473	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(C)cc2)N=C1C(F)(F)F	1865674363	BKOWGMDTXXZHFS-AQTBWJFISA-N	402.416	5.128	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)cc1	1866045704	PIIMWSQFWLPYLA-UHFFFAOYSA-N	421.500	5.364	10	10	HKCE	
CC1(C)C[C@@H](NCc2cc(Cl)cc(Br)c2O)[C@@H]1OCc1ccccc1	2038728629	KICXSJVQDZZEAA-MJGOQNOKSA-N	424.766	5.282	10	10	HKCE	
O=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	2293426882	OFTOFHFKMMIUQE-UHFFFAOYSA-N	422.267	5.421	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2oc3ccc(Br)cc3c2Cl)SC1=S	2296791915	MXJSLTPUMIYPBB-UHFFFAOYSA-N	416.749	5.458	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1	2297624498	YANSOAKHRDKTLI-UHFFFAOYSA-N	400.434	5.068	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(C(F)(F)F)cc1	2313610349	WEZNNLDAMHNHAF-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2O)N1	4729880	DKEGDMRGWFGUIS-IFMALSPDSA-N	415.375	5.757	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1sccc1C)N2)c1ccccc1	14456232	JUMCYXBVHXPORR-YZUZCNPQSA-N	414.574	6.550	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457918	WMZORVUJNJSVLY-QTISVLPJSA-N	400.566	6.064	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(O)c(OC)c1)N2	14459383	PHTXWGUVEIPTHO-KIMHZCHSSA-N	412.917	5.619	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475083	HOCBMEPQQOSMRS-NLJOTIRTSA-N	416.524	6.919	10	10	HKCE	
C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3ccc4ccccc4c3)[C@@H]2C1	14475479	ZASLGYURTHHENS-BXTSTYNKSA-N	403.525	7.245	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@H]21	14545577	CTJIDYFZTJSCEX-WZOHSFFVSA-N	416.565	5.928	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@H]21	14546194	DGMPOGGTCCZMJQ-GLDPYIMESA-N	402.538	5.394	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548402	QTASUACKHBFVMU-KGVIQGDOSA-N	408.548	5.375	10	10	HKCE	
CCN1/C(=C/c2ccc3ccc(OC)cc3[n+]2CC)Sc2cc(NC(C)=O)ccc21	20807355	ZMZUDHUTQQMUAD-UHFFFAOYSA-O	420.558	5.045	10	10	HKCE	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)c1	59271005	CANLLNNRKDBMJQ-UHFFFAOYSA-N	409.536	5.489	10	10	HKCE	
O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1)=NO[C@@H]2c1ccc(Cl)cc1	59475617	ZUTULKUTUMAGES-JOCHJYFZSA-N	422.267	5.535	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226748221	GIKXUJZKTOPLLS-SXGZJXTBSA-N	418.320	6.092	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226850364	RAALRZNKXGBNIZ-ZOCZFRKYSA-N	411.889	5.215	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	253572809	QPXDEEWBKBNMGI-IMAQQZIHSA-N	402.925	5.745	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1	1083997308	LTTHWDJEOSITIP-NDENLUEZSA-N	416.864	5.212	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865664744	WZVRZTIERIFOIN-AQTBWJFISA-N	411.263	5.967	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865676215	XGNWLDUWUXTIAR-HYARGMPZSA-N	416.864	5.365	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)cc1	1865680068	VTSHCSIINFDFJR-RGEXLXHISA-N	420.871	5.318	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(C)C)c2O)sc(C)c1-c1ccc(C)cc1	1866173112	QDFBVMOTNOHDSR-UHFFFAOYSA-N	423.534	5.900	10	10	HKCE	
CN[C@@H](C)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	1892591287	OQFOTAPJMLPAJF-JTSKRJEESA-N	417.391	5.305	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1	2079007712	XQJHBIWVYSQBTP-QGZVFWFLSA-N	419.319	5.015	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079997287	AIVXRMYDDQBJRJ-IBGZPJMESA-N	405.336	5.293	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c(C)c1	2297450284	UVZOFQAAINUORX-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CC(C)c1ccc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1	2297467847	DFMDVSRIIXRQBL-UHFFFAOYSA-N	408.571	5.790	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323854292	GWCWXDPNRAAMKX-UHFFFAOYSA-N	405.972	5.216	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	2332144720	IDMUESHZQYPBRV-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641703	QCQBYXCEPLZWMM-WDEBQMKVSA-N	409.526	5.716	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476545	FBWYBAIXUOXLDW-LLJLJFOGSA-N	422.355	7.399	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546825	ROLAFEXMLUVDFO-CGSMKXTHSA-N	415.364	6.348	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548234	FCLITVTXDGRTIV-KCPMXOJXSA-N	412.533	5.902	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14550604	YZOBISMXQHPJEX-HWBMXIPRSA-N	402.538	5.538	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21)N1CCCCCC1	20695200	OVVXGXXLKOGUPJ-TXTKFYIRSA-N	406.957	6.183	10	10	HKCE	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	33247522	VUFYQISVNGEIDQ-HYARGMPZSA-N	413.477	5.218	10	10	HKCE	
Brc1ccc(Br)c(NCc2ccc(N3CCCC3)cc2)c1	37314738	PHGPFKVXPYZBME-UHFFFAOYSA-N	410.153	5.424	10	10	HKCE	
CCCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1	39194303	IKPAXVIMLRSXRX-HSZRJFAPSA-N	412.489	5.709	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cccc(OC)c3O)C2)cc1	53362936	VLZXDSMODMSCEQ-QPPBQGQZSA-N	422.912	5.285	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)c1ccccc1	226730324	CJCXXJDDDJJALQ-RGODFAACSA-N	416.524	6.919	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C)cc2)cc1	526397616	AJOHLINDIATGIF-HSZRJFAPSA-N	418.562	5.960	10	10	HKCE	
CC[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1C)c1cc(Br)ccc1O	716219854	IWAOPFHNETZCML-CZAAIQMYSA-N	417.391	5.106	10	10	HKCE	
CC(C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	1083872379	WIFBXQHQQQHVQS-UHFFFAOYSA-N	401.532	5.496	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	1084352370	CFICJIJHFRZIQR-QGZVFWFLSA-N	415.559	5.886	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cc(Cl)cc(Cl)c1	1084457046	WHKJDPLRGGUZRT-LHHJGKSTSA-N	411.291	5.307	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1	1865670373	WYXPJNGCLKSOTQ-HKOYGPOVSA-N	404.554	6.146	10	10	HKCE	
O=C1c2ccccc2C(=O)c2cc(NC(=S)Nc3cccc4ccccc34)ccc21	1865783747	FOVKGRCURCKUFL-UHFFFAOYSA-N	408.482	5.424	10	10	HKCE	
O=C(CCSc1ccc(Cl)cc1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891594622	SKGQDTIBOCSRSG-PXNSSMCTSA-N	400.975	5.127	10	10	HKCE	
Cc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1	2079007711	XQJHBIWVYSQBTP-KRWDZBQOSA-N	419.319	5.015	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3OC)C2=O)c1	2321672369	ZQLMDWPOADDWBM-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1cccs1	2326888236	ZWBBMZPFPLVBHK-UHFFFAOYSA-N	411.548	5.922	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104630	AILUHKLGZHNCMK-UHFFFAOYSA-N	410.098	5.562	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OC	2332125827	UETPBFKQLYHVLN-UHFFFAOYSA-N	406.526	5.160	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@H]32)s1	14456656	RGCLBNXLBLDDGH-ZJCBTPCYSA-N	414.574	6.752	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461299	MORJUVHNJNZASR-VFCRVFHLSA-N	413.315	5.330	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471070	MCKQRHWUKLWHAW-STSQHVNTSA-N	412.917	6.500	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	14552503	XFOCHMHJBQZNNS-AJFLCOCNSA-N	419.528	6.555	10	10	HKCE	
COc1ccc(Cl)cc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C	20943439	NVBWCHZBXMGUEH-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl	33908303	ZCCIKUSNQIEWEY-XDHOZWIPSA-N	411.935	6.314	10	10	HKCE	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC)C3=O)o2)cc1	35241358	SUQVFSOBMQNUIM-AQTBWJFISA-N	415.536	5.125	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	35518941	DUSUHJSRWGSFGD-PDGQHHTCSA-N	407.813	5.314	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3ccc(C)cc3)N2)c1O	53364255	HYACVBBLWRTGBH-SQHAQQRYSA-N	414.549	5.884	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2ccc(F)cc2O)c(Br)c1	109767550	QRTRFPRTVBIYGI-SECBINFHSA-N	403.089	5.538	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@H]32)c(C)c1	250970899	DPKJBDROVRORMS-YOSAUDMPSA-N	410.583	5.125	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(CCC4CCCCC4)n3)cc2)cc1	1857850581	SWTAUQCXYBVYII-UHFFFAOYSA-N	422.663	7.339	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1	1858588496	IZYJMEPLXUXCMU-UDWIEESQSA-N	413.564	5.131	10	10	HKCE	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	1865678928	LFRZVYRNCCRKEK-MHWRWJLKSA-N	409.205	5.274	10	10	HKCE	
CCCC[C@@H](CC)CC(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC	1866106669	CJJSAADVNKLIFO-GOSISDBHSA-N	415.599	6.672	10	10	HKCE	
Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3cccc4ccccc34)C2=O)cc1	1872957123	WYNCQJNINDNWRE-UHFFFAOYSA-N	408.457	5.090	10	10	HKCE	
CN[C@H](C)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	2034728137	KIYQEDSUFVKWTD-CQSZACIVSA-N	415.297	5.689	10	10	HKCE	
CN(Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2054255775	PRUJOZOPCLSZKZ-UHFFFAOYSA-N	405.336	5.110	10	10	HKCE	
CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Br	2079939578	PXDFECWPYYSXCE-QGZVFWFLSA-N	423.351	5.089	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2095951851	MFTAIWGYFPNDAH-SFHVURJKSA-N	417.435	6.388	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2223529830	DQAFSKNVJJNILN-QGZVFWFLSA-N	401.392	5.896	10	10	HKCE	
CCOC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	2297507800	DGFQRUIRRJKNDJ-UHFFFAOYSA-N	423.563	5.410	10	10	HKCE	
Cc1ccc(SCC2=NN(c3ccccc3)C(=O)C2=Cc2c[nH]c3ccccc23)cc1	2314656338	KGDHANHWRSZPPW-UHFFFAOYSA-N	423.541	6.055	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641335	WRDLCEWZUULMMZ-IMWIBFENSA-N	409.526	5.718	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547070	OTFVXVKMUPNUAH-AYSMAOOMSA-N	401.337	6.559	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548313	JQGRMXPUZQUUCM-FKRWJQPVSA-N	412.533	5.900	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@H]32)cc1	14552351	WGJKBYZGIBZPPK-PLXFJCCSSA-N	410.517	6.082	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363155	TVLOMLSHPIIMCD-ISKFKSNPSA-N	424.903	5.806	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3O)C2)cc1	58138627	WWZBAFOYOGTTSW-JYFHCDHNSA-N	416.521	5.194	10	10	HKCE	
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	226704667	CJTBZUZERBEJAZ-YVHKJVDXSA-N	414.343	6.160	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226803557	OCEDAURGKUSHRX-PQNGQFLHSA-N	410.583	5.324	10	10	HKCE	
C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O	312287329	UQJQOFYCXWHHGM-ZUOKHONESA-N	417.377	5.262	10	10	HKCE	
Cc1cc(Br)cc(N=Nc2ccc(Br)c(Cl)c2)c1O	1084025840	WQQMRDPSJKKDPW-UHFFFAOYSA-N	404.489	6.294	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085787	JCOJJEVWMGGTOZ-UDWIEESQSA-N	424.497	5.356	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	1860086044	GQIUSUPLXWJFDA-RCCKNPSSSA-N	424.591	5.480	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666465	MBLKOHQDTFIDIY-LFIBNONCSA-N	419.706	5.394	10	10	HKCE	
CC[C@H](N[C@H]1CCCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	2102361884	IFBHGUBBFSTMRW-FPOVZHCZSA-N	417.391	5.250	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2293261782	GJRFAWOSJFCTDT-UHFFFAOYSA-N	411.291	5.307	10	10	HKCE	
Cc1cn(-c2ccccc2)c(C)c1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O	2297708928	GCLMPTSOBYBQIW-UHFFFAOYSA-N	424.978	6.153	10	10	HKCE	
Cc1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1	2323752138	CIXMJNJLUQBSIG-UHFFFAOYSA-N	422.344	5.298	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CC)N=C2c2ccccc2)cc1OCC	2332114090	RTIGTKOSWPBXTO-UHFFFAOYSA-N	406.526	5.304	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14466092	JOKVQFWKOBXMKN-VWKPWSFCSA-N	416.974	5.243	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470075	MRWFOLXSNMHZDB-SKVJQKLOSA-N	411.545	6.881	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1	14475548	BXUUDLPFIBXYFT-FXSPECFOSA-N	410.517	5.139	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Br)cn3)c3ccncc3)c(O)c2n1	54200430	JCTHZHCJCDQXQT-LJQANCHMSA-N	421.298	5.003	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	100374373	VGQJBVWXILRRLL-DFIYOIEZSA-N	408.457	6.433	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	101651850	MDMQCLGREXBZMC-GZTJUZNOSA-N	416.304	5.569	10	10	HKCE	
O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(N=Nc2ccccc2)cc1	254589625	LNNACELZOAWTTO-VWLOTQADSA-N	404.473	6.873	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1	1081103607	QMTBWEAJWCMXRJ-GZTJUZNOSA-N	404.944	5.010	10	10	HKCE	
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)c1	1084327883	RIRGMPZFDSLXSU-UHFFFAOYSA-N	418.522	6.016	10	10	HKCE	
CC(C)(O)C1=C[C@@H]2[C@H](C=C1)N(Cc1ccccc1)c1ccc(C(C)(C)O)cc1C2(C)C	1848434532	LSZQKAHASSYJCM-VWNXMTODSA-N	417.593	5.464	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1860075063	HAHWGSQIBMXJFJ-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865674327	ZRGQZRIBRFDERR-XSFVSMFZSA-N	403.869	5.120	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)O)cc1	1865675671	ULYIPHDKJUQGFC-XNTDXEJSSA-N	403.265	5.278	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	2217117277	WAFUAKPCEDSZBA-XMMPIXPASA-N	415.625	5.713	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)C1=Cc1ccc(C(C)C)cc1	2297308036	JHFJGDAOSRURMT-UHFFFAOYSA-N	403.522	5.694	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321721423	CIHLYDHXISCICB-UHFFFAOYSA-N	410.347	5.716	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc1	2332116599	GQQGUERCERNCAJ-UHFFFAOYSA-N	416.443	5.600	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C2\C(=O)N(CCC)c3ccccc32)SC1=S	2305400	ZRBAVBMRZWUQNB-MJWGMMHASA-N	416.612	5.231	10	10	HKCE	
Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1C	3212132	OYKKQXQHAKMAFT-UHFFFAOYSA-N	422.366	6.679	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458098	HUGTUZHZAMYDRO-FKRYTKDZSA-N	424.610	5.515	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1	14477849	JDRCHNJBWHHIKB-PNLZDCPESA-N	413.348	6.056	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	20706289	CGUOCMBTKOZVBO-XFQAVAEZSA-N	414.889	5.490	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Cl)c(Cl)c3)c3cccs3)c(O)c2n1	54621859	OLKCYKHGBCWWKZ-HXUWFJFHSA-N	415.345	6.819	10	10	HKCE	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(=O)c1ccccc1	59467014	YOLUNYTVFJELOC-ZQHSETAFSA-N	405.457	6.585	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C\C(=O)O)cc1Br	385248443	KGLDMRXVRDNZJT-LDCOFTPGSA-N	400.316	5.352	10	10	HKCE	
Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1ccc(Br)cc1O	691429688	RAOVOEHJBAUFAI-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
Cc1cccc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	1865678498	PBNQTALPZKXPAB-RGEXLXHISA-N	404.872	5.618	10	10	HKCE	
COc1ccc(N2CCN(C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1	1867942708	YOWCEJSFMUHMAM-OAQYLSRUSA-N	421.368	5.090	10	10	HKCE	
Cc1sc(CN(C)c2ccc(CO)cc2Br)c(Br)c1C	2237724582	FUSWMDAMWDFGDU-UHFFFAOYSA-N	419.182	5.019	10	10	HKCE	
CCCCN(CCCC)c1ccc(C=Cc2ccc(NC(=O)C(=O)OCC)cc2)cc1	2295072286	SRUNMSUXFWGNFX-UHFFFAOYSA-N	422.569	5.765	10	10	HKCE	
CCCCCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2323718949	VJZTUDPXNIHZAQ-UHFFFAOYSA-N	411.592	6.047	10	10	HKCE	
CC/C(C=C1Oc2cc(C)c(C)cc2N1CC)=C/c1sc2ccccc2[n+]1CC	5138479	HIWQEXLQRKCQOO-UHFFFAOYSA-N	405.587	6.379	10	10	HKCE	
Cc1ccc(C)c(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1	5698261	CCEQXDRXHXILOA-MHZLTWQESA-N	411.501	5.447	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)ccc21	13642436	WFNYOCOVEJVKEX-BKCZMFJTSA-N	423.516	6.858	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546828	ROLAFEXMLUVDFO-MFLXSWDHSA-N	415.364	6.348	10	10	HKCE	
CC[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Br)ccc1O	21517741	WEAPPLVPVYSJGJ-CYBMUJFWSA-N	409.538	6.678	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Cl)cc3Cl)c3ccccn3)c(O)c2n1	54621897	NIEWGHZGJFTXIE-NRFANRHFSA-N	410.304	6.152	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1ccc(N(C)C)cc1)c1ccccc1	106574315	GQUDYIZSUMQXEL-DHSNEXAOSA-N	407.517	5.642	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226696216	VNCTVFALNFKNOZ-IMWIBFENSA-N	407.510	5.482	10	10	HKCE	
Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1	254507220	GAFJJSYOYXYHJG-HXUWFJFHSA-N	402.479	5.108	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)cc1Br	385573699	QXWTWYDGSWZKKN-ZWKOTPCHSA-N	415.419	6.315	10	10	HKCE	
CC[C@@H](Nc1cncc(Br)c1C)c1cc(Br)ccc1O	722728745	WDHYFVJVUKKMGD-CYBMUJFWSA-N	400.114	5.184	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858588213	VGCWWICOJATJSN-LZVCNBGXSA-N	422.413	5.475	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OCCC)c3)SC2=S)cc1	1860076622	QIWWFSYGUKEZCW-LTGZKZEYSA-N	411.592	6.224	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865679029	QDKPXCHSIVTWQQ-AQTBWJFISA-N	408.835	5.448	10	10	HKCE	
CCCCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873168444	VYBWFDTXIAQATG-SFHVURJKSA-N	421.585	5.142	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-]	2297303184	OENOVERJJIFHPS-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)cc1F	2318753398	SPBWETQGPIGUOH-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1	2321745652	ZHZOJFZKVUYPQU-UHFFFAOYSA-N	404.507	5.217	10	10	HKCE	
Cc1ccsc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1c1ccccc1	2332127676	WZNKKDGLWOGDCY-UHFFFAOYSA-N	423.335	5.654	10	10	HKCE	
Cc1ccc(CNc2sc(C)c(Br)c2C)c(O)c1Br	2352641277	ROKCFAUORFRHOE-UHFFFAOYSA-N	405.155	5.516	10	10	HKCE	
CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642167	CRTFPBNLIYZITM-PGKWVRKKSA-N	408.545	7.040	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CC=C[C@H]32)CC1	14471986	ACPFPOIDHFJMQG-JTAQYXEDSA-N	417.509	5.293	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473553	RAALRZNKXGBNIZ-WHSLLNHNSA-N	411.889	5.215	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547044	PVGYDJNIFCCCTG-WJONJSRFSA-N	415.364	6.350	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2)N1CCCCCC1	20695566	RTHGAVSKAPUXQI-PQNGQFLHSA-N	406.957	6.183	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@@H]21	20697403	GOZRBABEZGTATK-TZBSWOFLSA-N	406.570	5.775	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702518	QYMOPENFKQNVJF-JZKQVHKSSA-N	404.293	5.754	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1C1CCCCC1	33399117	KXIPNMHUKQRCDM-WQRHYEAKSA-N	421.946	6.273	10	10	HKCE	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1ccc(Oc2ccccc2)cc1	103910592	NKKCUABRIGFFPH-DEDYPNTBSA-N	423.299	6.592	10	10	HKCE	
C/C(Nc1cccc2ccccc12)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	205957696	LZEWQMNDWAILEJ-XIEYBQDHSA-N	421.475	6.116	10	10	HKCE	
Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	208471392	VVFYXVULBIVTPW-CIAFOILYSA-N	422.481	5.136	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)s1	226686895	ITXABGMGUREIJO-WPLIGNBTSA-N	414.574	6.374	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1ccc(F)cc1	1083916883	XDRJZZAZABMZBO-NVNXTCNLSA-N	413.326	5.403	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087407	VJOFGBYJSKSQAW-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC	1865665351	OPXVGHDHCAWEMW-NBVRZTHBSA-N	412.917	5.724	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1	1865675266	XHDNJQKVZNIXGQ-VCHYOVAHSA-N	412.917	5.253	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	1866147246	QRCKQXMRVWWQIU-UHFFFAOYSA-N	408.523	5.093	10	10	HKCE	
CC(C)c1nn(Cc2ccc(Br)cc2O)c(Br)c1C1CC1	2079745357	XBYYEYPPYLPVGU-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(N)c2Br)C(C)(C)C)cc1C	2080022314	IOPCKNBVXOZWRS-QGZVFWFLSA-N	406.368	5.237	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100222641	KMIAUYJSAAYOCH-NQERJWCQSA-N	417.391	5.289	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1	2321629448	YWWQTMWDSZYFDD-UHFFFAOYSA-N	419.955	5.325	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	2321646743	FMCYCCHVNMXMLN-UHFFFAOYSA-N	404.900	5.216	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1cc(F)ccc1F	2321757963	IQMXDJLINDXRBE-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323680924	WUQBENFRABTNAE-YXMPFFBPSA-N	412.407	6.019	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(CCc3ccc(F)cc3)C2=O)c1	2323864636	AQERAKBLEFCZAA-UHFFFAOYSA-N	401.528	5.057	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118476	PLJDOILIVCVHGE-UHFFFAOYSA-N	424.544	6.156	10	10	HKCE	
Cc1ccc(CNCc2ccc(Br)c(Cl)c2)c(O)c1Br	2380812071	RINNFHQJHYAOQZ-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(C(C)C)cc2)[C@H]2CC=C[C@H]32)CC1	14463087	GTSRFRNPYAMCJB-JCYRPKCISA-N	414.593	6.509	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477697	UQXIONGMEPETGV-ZYLNGJIFSA-N	422.355	7.399	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477787	OTPYVUFLUSPWQP-GCKMJXCFSA-N	415.364	6.350	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477790	HNJYFGLXAPLNQD-MDOVXXIYSA-N	417.336	5.196	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14543618	ATFWECHJNPROHC-OARDWFSCSA-N	417.593	7.261	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@H]2CC=C[C@H]32)cc1	14548745	FLDFZWRMTWEJEX-WWEVIYMKSA-N	416.546	6.226	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1	33307263	FSYCBEIKQISMDU-CPNJWEJPSA-N	421.499	5.213	10	10	HKCE	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCCC1	33744174	ZKOAYNQAVSYRPU-RCCKNPSSSA-N	409.576	5.800	10	10	HKCE	
O=C1/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1C1CCCCC1	35518777	TUIRCKWLJQKCNB-ZHZULCJRSA-N	420.559	6.029	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1	53363120	LRJGRPNDSGZUHH-RCZVLFRGSA-N	402.494	5.022	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)cc1	54620455	SELOAFINVNGLFV-JOCHJYFZSA-N	402.450	5.300	10	10	HKCE	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(SC4CCCCC4)o3)C2=O)cc1	96475570	MEJMCNPTNNOYTO-XMHGGMMESA-N	424.522	5.774	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226801390	GIMFIBXTPBAHBX-CERRFVOPSA-N	422.572	7.197	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(SC)cc1)N2	226909990	IOEPFYHSLFMQRX-ZRCGQRJVSA-N	408.567	5.001	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1ccc(N2N=N2)cc1)c1ccccc1	1081165349	HANUGJYYNNCKLQ-SNURCZQUSA-N	405.461	5.679	10	10	HKCE	
CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1083955319	IHYHHVJSAKPRRU-DVECYGJZSA-N	415.537	7.412	10	10	HKCE	
Cc1cccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)c1	1857850209	AIYFTCCUJFLKJM-UHFFFAOYSA-N	402.588	6.801	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2c(C)nc3scc(C)n23)SC1=S	1858591127	YUGFZEURRFEEMR-DWKHYPNZSA-N	407.630	5.573	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(OC(F)(F)F)cc1	1860087602	JGJARJMTHKJQHD-RIYZIHGNSA-N	417.380	5.269	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	1865656596	NAWGTRAPMDVIEC-LDADJPATSA-N	417.734	5.684	10	10	HKCE	
C[C@H](NC(=O)CCCC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C1CCCCC1	1866251113	ZPOFQOAPKQGIIL-SFHVURJKSA-N	423.557	5.255	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc3[nH]2)cc1	1873509080	WFTDWWCRGMUCLJ-HDICACEKSA-N	404.558	5.194	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=O)c2Br)cc1C	2080002848	DULKXBQBIPLZOK-SFHVURJKSA-N	417.347	5.222	10	10	HKCE	
CCCNCc1ccc(N(CCCCOC)Cc2ccccc2)cc1Br	2095870959	WNUOIFMTNVZYLA-UHFFFAOYSA-N	419.407	5.382	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)cc1Br	2095877573	NHDBMYZQVTTZCG-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
FC(F)CN(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2223529451	BIDJZUXMESFDDC-UHFFFAOYSA-N	409.318	5.363	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(Cl)c1C	2313681296	ASRSGVUGEUADJM-UHFFFAOYSA-N	412.877	5.445	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(Br)c1	2313681406	DHGNHWTUQQMCNP-UHFFFAOYSA-N	416.294	5.477	10	10	HKCE	
O=C1N=C(N2CCCCC2)SC1=CC1=Cc2ccccc2O[C@H]1c1ccccc1	2314433585	PEFXKGUBLCICRS-QFIPXVFZSA-N	402.519	5.203	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(Br)c(C)c2)C1=O	2321744070	MXQSHCIAVFKHSS-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1	2332104187	LGXCIMJYIXSUDN-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332104698	IUECKCSUSSGPLM-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cc(C)ccc2O)cc1	2332105292	REVUWOWPPJGPOS-UHFFFAOYSA-N	418.880	5.197	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21	14463342	SKJYQIUEEUDETF-AWRGLXIESA-N	404.554	5.403	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14480675	MRKCZNKOMAEUEK-FBLLAGFSSA-N	416.565	5.974	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545190	DGEKQOGKENOJIF-ZVUIFXONSA-N	419.528	6.271	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14549011	HYLAUMAHNWEVJB-UMEGOILYSA-N	400.547	6.146	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	20712699	HNJYFGLXAPLNQD-SXGZJXTBSA-N	417.336	5.196	10	10	HKCE	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl	33314379	NWKDCNLOPAGMPT-KPENOIPVSA-N	416.836	5.163	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	33448968	ABDCJYBYZYQSBT-LDADJPATSA-N	411.288	6.368	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C\C=C(c2ccccc2)c2ccccc2)cc1	72266029	LWZXJLFZHSOMTK-QINSGFPZSA-N	415.580	7.858	10	10	HKCE	
CCCCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1	206707054	OWUQILIJNISHBY-OBGWFSINSA-N	421.584	5.102	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1	226884249	ITHIEARWUICTKX-SLSDLSHTSA-N	422.594	5.242	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)cc1	526166623	JYDZDBLMJUWASQ-XMMPIXPASA-N	424.456	5.012	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2sccc2C)cc1	1865670719	NVOHIKPTGVOKJI-CJLVFECKSA-N	424.525	6.053	10	10	HKCE	
C/C=C/C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC	1865859501	CGTQNAYTJBNTKO-GQCTYLIASA-N	408.317	5.041	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCCOc3ccc4ccccc4c3)cc2)cc1	1865932525	FMAWMWIWMIORLM-UHFFFAOYSA-N	412.489	6.012	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccc(C(C)(C)C)cc3)SC2=S)ccc1[N+](=O)[O-]	2321741893	WIANWLKJJKSBNO-UHFFFAOYSA-N	412.536	5.607	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c(NC(=S)Nc3cccc4ccccc34)cccc21	13811822	AOGZIUJMYHLCNO-UHFFFAOYSA-N	408.482	5.424	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462002	WYRPFBXSRVYQLL-DPZBCOQUSA-N	404.598	6.784	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)c1ccccc1	14475631	BLPWFWIWFNVEFA-SKVJQKLOSA-N	416.524	6.919	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCCC(C)C)cc2[C@H]2C=CC[C@H]21	14544341	IMRCHIZSMSARRT-SXDGJLEOSA-N	413.561	7.100	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14545718	FIJLBDHDYOVMND-LXWOLXCRSA-N	417.593	7.261	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549525	GFHSEJCZHZSXCA-FMGHJNRGSA-N	418.540	6.521	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)ccc1O	226656227	NKAQBMVZHMVXCT-IMWIBFENSA-N	418.537	5.290	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226732867	VLOOWOKFVYTCRE-PQNGQFLHSA-N	423.988	5.238	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226845681	VHGVTAPGPHFSSO-SYJLOODJSA-N	415.364	6.805	10	10	HKCE	
CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1	254341250	PGSCVRYPLPSIOE-JJCLAAMLSA-N	423.641	5.510	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(N(C)C)cc2)cc1	526254525	SAQRPMPOMZDYOC-RUZDIDTESA-N	412.533	5.735	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC	1858588438	FXOWISFNZHENJL-NXODRLGHSA-N	417.596	5.120	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	1860075377	RBHZAYQKYYNSPB-REZTVBANSA-N	408.375	6.523	10	10	HKCE	
Cc1cccc(C)c1N1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S	1860084452	YZICTFHYSVAGBH-NTUHNPAUSA-N	419.984	5.380	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2F)cc1	1865654549	WZHIEDPJDNARIX-DEDYPNTBSA-N	406.844	5.322	10	10	HKCE	
C[C@@H](O)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)c(Br)c1	1946810129	RUOMTJFDBYFOQN-CYBMUJFWSA-N	402.254	5.461	10	10	HKCE	
COC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2079999175	GUNLLINCSKFWFP-IBGZPJMESA-N	404.938	5.549	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2095951019	XBGOUTRWWQJCFH-UHFFFAOYSA-N	415.419	6.001	10	10	HKCE	
CC[C@@H](NCc1cscc1Br)c1cc(Br)ccc1O	2097799019	PKOWVDSSWYTSSK-CYBMUJFWSA-N	405.155	5.220	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	2294623689	TWNFXCUKJXTQAZ-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccccc3C)N=C2C)o1	2313549434	WGLJSOOMIPBTOK-UHFFFAOYSA-N	415.449	5.532	10	10	HKCE	
O=C(O)CCCCCCCCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S	2314927079	YUHMUZSMIZUGNB-UHFFFAOYSA-N	417.596	5.649	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	2330125550	MDPWVJMEPQSVPP-UHFFFAOYSA-N	420.534	5.564	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccccc1	1452723	OUVKDNSZSHZDQN-PDGQHHTCSA-N	408.460	5.261	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1	14461859	DUAIVRFBPJMXFV-HFMPRLQTSA-N	417.597	5.888	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476739	AWTSHMXYZGBDHA-BCQCSXDESA-N	411.545	6.879	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477785	OTPYVUFLUSPWQP-CKJXQJPGSA-N	415.364	6.350	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2	14480059	QPSZXAKZBUHQEO-RQTOMXEWSA-N	424.610	5.632	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC)cc1)N2	14543743	ZDRKFRPHARMXJA-UMFSSWHCSA-N	418.581	6.174	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1	16312116	QNRRQJFQQGCGJE-FYJGNVAPSA-N	404.897	6.331	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	19890610	RNCXLUFPNPISRE-YTZAWJCFSA-N	422.355	7.399	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226850159	FCLGRLIBQFVQFB-IMWIBFENSA-N	422.355	7.399	10	10	HKCE	
CC[C@H](NCC(C)(C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	714236712	CFXYXVMNTNXPAT-IBGZPJMESA-N	405.380	5.106	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC	1858589835	LVBWAVBMXQYOHA-MDNBDKBPSA-N	405.585	5.264	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1C12CC3CC(CC(C3)C1)C2	1858590962	QZFJXSRIPOCHOI-CAOOACKPSA-N	423.525	5.875	10	10	HKCE	
O=C1/C(=C\c2ccc(O)c(O)c2)C(c2ccccc2)=NN1c1cccc2ccccc12	1865649755	CECWQVXFNXYRPX-QNGOZBTKSA-N	406.441	5.086	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668585	GKFFUSNWISTFQB-MFKUBSTISA-N	414.480	5.515	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cn(C)c3ccccc23)cc1	1865670800	RWFPUVZINUNVPN-LFVJCYFKSA-N	421.500	5.330	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cccc(OC)c1OC	1865673080	UFBFRKZWDRECTP-CAPFRKAQSA-N	400.478	5.443	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(Cl)c1	1891362418	JAHNRLCLUXWPJS-UHFFFAOYSA-N	403.287	5.057	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(Br)c1	2034792055	OZDHXNBURMCUTQ-UHFFFAOYSA-N	403.408	6.001	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1c(N)cccc1Br	2106254034	YKROXJFDDOFIIT-QGZVFWFLSA-N	418.335	5.478	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCC[C@@H]1CCN2Cc1ccccc1	2197377671	YPVIISSUTIWDRP-GCJKJVERSA-N	405.369	5.233	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cc1Cl	2234175869	GNNBJMIMGPUPGG-CHWSQXEVSA-N	414.293	5.302	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(-c2ccccc2)c2cccnc12	2296800599	IDIBQMZAZFYTMZ-UHFFFAOYSA-N	404.473	5.620	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	2321745737	UJOGIWUSENZNQY-UHFFFAOYSA-N	421.509	6.409	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1F	2332129708	FBXPRRSIDDRYGJ-UHFFFAOYSA-N	407.670	5.438	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(Br)cc1	2332147806	ZBKRULUGKFPSGL-UHFFFAOYSA-N	401.279	5.170	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13644703	UPGBOXYWRSBAPH-ZEZDXWPOSA-N	424.588	6.591	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1O	14457467	GUTXSBQBNRZRON-DFIYOIEZSA-N	418.537	5.099	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	14475717	RZTATADRIUJLOK-KHCICDEESA-N	400.434	5.919	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2	14480060	QPSZXAKZBUHQEO-FBLLAGFSSA-N	424.610	5.632	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548405	QTASUACKHBFVMU-NJNPRVFISA-N	408.548	5.375	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C)s2)N3)c1	14553537	FTJCSMICUWWJOT-YOSAUDMPSA-N	400.547	6.444	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362900	STXRYWYIMMCUAU-VWNXMTODSA-N	406.913	5.585	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	97499241	OKXRIBXLQGWQPT-HZHRSRAPSA-N	407.473	5.319	10	10	HKCE	
Nc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1N=Nc1ccc(F)cc1	1081822575	XYQDJNUEGVBZLE-UHFFFAOYSA-N	406.368	5.613	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	1860084747	HPGRGGKIQPTBEQ-XSFVSMFZSA-N	407.491	6.024	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(C)c(C)c1	1866029210	NZZFZGHINYWECL-UHFFFAOYSA-N	421.562	6.503	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/c2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	1866146991	QWFXSFSWCCOOAU-CSKARUKUSA-N	406.507	5.174	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1	1873521946	ZAWNXZURXLSLIA-UHFFFAOYSA-N	424.375	6.905	10	10	HKCE	
Cc1ccc([C@H](n2nc(C(C)(C)C)c(CN)c2Br)C(C)(C)C)c(O)c1	2079040854	SSOVOVPSIRVFPF-KRWDZBQOSA-N	408.384	5.051	10	10	HKCE	
CC[C@@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1	2297317090	SUHSGBIPOVAKSM-CQSZACIVSA-N	418.566	5.775	10	10	HKCE	
Cc1cccc(COc2ccccc2C=C2SC(=S)N(Cc3ccco3)C2=O)c1	2297559702	ATHKJVNSFTWRLX-UHFFFAOYSA-N	421.543	5.568	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cccc1OC	2332117608	ZDSTZSQTYHSNHR-UHFFFAOYSA-N	424.806	5.096	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccc(C)c(C)c3)[C@@H](C)CC)ccc21	3585600	XNCMLLBQKNKCFT-NRFANRHFSA-N	423.670	6.464	10	10	HKCE	
C[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)C1	6782088	ADOVDINPHCPOPV-YADARESESA-N	414.549	5.178	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1c(OC)ccc3ccccc13)[C@H]1CC=C[C@H]21	14544060	XZHFFKOZONRKCX-QQMNAOGKSA-N	402.450	5.592	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	14552425	TZSFARIJXVFKBL-OHUGHZGNSA-N	414.936	6.727	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	38160170	OMZZPVHCKWFBFF-MFOYZWKCSA-N	402.903	5.675	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1	96505390	LIHQNXIKNOMVLO-RCCKNPSSSA-N	403.528	6.193	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226715534	ZASZXOAQPJTUQP-XQBPLPMBSA-N	416.974	5.197	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	226897771	QLFXOSTUMUCPNI-LOYIFYEOSA-N	406.485	7.036	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)N1CCCCCC1	250207210	WHIYVVMAIJFQJO-KHCICDEESA-N	417.509	5.438	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656936	XXJCEQKKXUFEHM-PXLXIMEGSA-N	402.881	5.492	10	10	HKCE	
CN(Cc1ccc(F)cc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117995880	MYGOHGBXVGHPAJ-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CC[C@@H](Nc1ccc(Cl)c(I)c1Cl)c1ccccc1O	2150345835	YSHUSLCHTDNCAW-LLVKDONJSA-N	422.093	5.867	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1	2313610359	WJKHGMRDKMDDSB-UHFFFAOYSA-N	417.836	5.904	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1	2321643848	COGJDHAJVIPXBK-UHFFFAOYSA-N	413.873	6.073	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1	2321656230	MHHPULHNZBZNDQ-UHFFFAOYSA-N	404.354	5.417	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1Cl	2321664229	NUCZVNURDCGUHO-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(SC)c3)C2=O)cc1	2321733950	NVOHQTOOORIABG-UHFFFAOYSA-N	414.621	5.661	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)C=Cc3cccc(Br)c3)cc2)cc1	2329591267	JMTGJLFQRTXBPD-UHFFFAOYSA-N	407.311	5.274	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134629	RDXQIPQQNZFXSV-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc1	5862930	VYIVVICAYDBDQN-UHFFFAOYSA-N	403.507	5.428	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13644695	UPGBOXYWRSBAPH-HFASVGIHSA-N	424.588	6.591	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469637	XWCAEOWALJZDIE-JCYRPKCISA-N	412.489	6.309	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473218	BKUDZDQAJLFLRS-VWKPWSFCSA-N	400.862	5.100	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c1Cl	14476983	RYFNMXBLKQIFDF-GSRNSYJJSA-N	419.566	7.780	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477701	VCAJWODFRMOANX-IUKKYPGJSA-N	402.365	7.245	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)c1	14550406	RHRNWTZKVCXPQX-FXSPECFOSA-N	424.544	6.391	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2cccs2)[C@H]2CC=C[C@@H]32)cc1C	20752926	KSQULPQNYAEGRT-WXVUKLJWSA-N	400.547	6.444	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	20753399	KCTFBQCMQXJCDK-BERHBOFZSA-N	407.513	6.837	10	10	HKCE	
COc1ccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621699	RLQPBMOUDZDUFR-JOCHJYFZSA-N	404.897	6.112	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccccc1	226727463	WHQKUPZUXJQWNG-TZBSWOFLSA-N	414.936	6.443	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N2CC[C@@H](OCc3ccccc3)C2)cc1Br	384109702	HOAPFHIOYFKMFR-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1	1858587557	LRHMLSUCUUQCOD-CXUHLZMHSA-N	422.344	5.298	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)cc1	1860085147	QMKBADRIMJWKLU-LICLKQGHSA-N	422.402	6.697	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1Br	1915458518	SHDPCUZNTRUFMU-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
Cc1cc(CNC(C)C)ccc1N(CCN(C)Cc1ccccc1)Cc1ccccc1	1946828291	YBRXKAZXYBENRU-UHFFFAOYSA-N	415.625	5.632	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1	2294082055	JVONPAIHJBUCCZ-UHFFFAOYSA-N	406.825	5.104	10	10	HKCE	
COc1ccc(-n2c(C)cc(C=C3SC(=S)N(Cc4ccco4)C3=O)c2C)cc1	2297366733	KWPXITIHJMLUTL-UHFFFAOYSA-N	424.547	5.097	10	10	HKCE	
CCCC[C@@H](CC)CN1C(=O)C(=CC2=Cc3ccccc3O[C@@H]2C)SC1=S	2314433913	XGKSSEYEUKNGGE-HZPDHXFCSA-N	401.597	5.812	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cccc(SC)c3)C2=O)c1	2321734053	NZSWBYUFTQXFRX-UHFFFAOYSA-N	401.578	5.603	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323766957	XCMSNWWXEISGMX-LBPRGKRZSA-N	404.354	5.412	10	10	HKCE	
Cc1ccc(C=CC(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1	2329480894	LVKVYJJZXVBVOD-UHFFFAOYSA-N	409.485	5.225	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332103956	ISMPSLKPJXPSTN-UHFFFAOYSA-N	411.691	5.978	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2	13644941	ZDTFYNCHGUVAFX-BSRJHKFKSA-N	409.961	5.971	10	10	HKCE	
Cc1cc(Br)ccc1OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	14004173	IQTVKWWXMOBUJR-OCOZRVBESA-N	424.298	6.190	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473323	CGUOCMBTKOZVBO-CKJXQJPGSA-N	414.889	5.490	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14548143	PMBIUCRLRCFDEB-CTVOUCONSA-N	419.524	6.951	10	10	HKCE	
CCOC(=O)C1=CS/C(=C2/C(=S)C(C)(C)Nc3ccc(OCC)cc32)S1	33365370	NJMWLYOBQYXMSA-SDXDJHTJSA-N	407.582	5.212	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=N[C@H](c3cccc(F)c3)N2)c1O	53364030	PPMFAYLSHFELLR-BVAGGSTKSA-N	418.512	5.715	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c([N+](=O)[O-])c1	54621404	XAEXRGTXTVUCTH-NRFANRHFSA-N	403.413	5.498	10	10	HKCE	
Cc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)N2CCCc3ccccc32)cc1	71565539	LBWLGGZDHLGJAC-BUHFOSPRSA-N	407.517	5.611	10	10	HKCE	
CC[C@@H](Nc1ccc(OC)c(Br)c1)c1cc(Br)ccc1O	115933670	RNQVYNYKENADSS-CQSZACIVSA-N	415.125	5.489	10	10	HKCE	
Cc1cc(Br)c(NCc2c(O)cccc2Br)cc1Cl	706829161	NKEGUWLZJHRYMQ-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1C1CCCCCCC1	1858586469	LIJXRPJOIBFFPI-RVDMUPIBSA-N	400.396	6.308	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865672775	KZUMGDNRDWKRKC-HMAPJEAMSA-N	411.892	5.651	10	10	HKCE	
COC(=O)c1c(NC(=O)C2(c3ccccc3)CC2)sc(C)c1-c1ccc(C)c(C)c1	1866232545	DICYRCMIEPERLE-UHFFFAOYSA-N	419.546	5.797	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNC1(CCOCc2ccccc2)CC1	1942675680	IETWTLHZYBPHOA-UHFFFAOYSA-N	410.739	5.037	10	10	HKCE	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ccc(Br)o1	2118001949	NSGCBBOXVBETOD-UHFFFAOYSA-N	421.335	5.020	10	10	HKCE	
CCOC(=O)C=C(C)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O	2297511110	DJXQDKQZDJDABV-LJQANCHMSA-N	419.308	5.317	10	10	HKCE	
CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134373	QTONXGQXBKNRCH-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1	2332141636	LVUKXFFGMGBDEB-UHFFFAOYSA-N	416.908	5.721	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1Br	1303252	RBNUVUJVAHMDLU-CXUHLZMHSA-N	415.337	5.336	10	10	HKCE	
Cc1ccc(-c2nc(-c3ccccc3)ncc2/N=N/c2cc(Cl)cc(Cl)c2)cc1	8888148	FOSKXNHOICZLSR-ZQHSETAFSA-N	419.315	7.841	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2	13638305	RJDWXQDPQRLCDW-OBTVHEKISA-N	410.517	5.790	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCC1	14464161	UQANYFYTXAXGFD-POGFHVCPSA-N	408.545	6.292	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2)c1ccccc1	14474807	ADNVWXUEJWCVGM-ISJBWFOZSA-N	410.517	5.885	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	14477301	HLSSFEKAEHXGME-WCJKSRRJSA-N	413.348	6.056	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	14550821	UVOFXRSELYQECE-MIZPHKNDSA-N	417.509	5.484	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702766	VNCTVFALNFKNOZ-IECBHUPTSA-N	407.510	5.482	10	10	HKCE	
CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	33399196	MSRSVTABVZPCBW-BOPFTXTBSA-N	423.481	5.900	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@@H]2C=CC[C@@H]21	226897788	WMNSEUFSNRABMM-YZIHRLCOSA-N	424.544	6.391	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)c1	1860084413	WVKHSVPXFJJROD-VCHYOVAHSA-N	419.955	5.462	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cccc(C)c2)cc1	1865678562	SEIZITHUQUCEIC-PCLIKHOPSA-N	410.517	5.451	10	10	HKCE	
COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc(C)c1-c1ccc(C)cc1	1866051457	UDZGQIGBSNHJSH-UHFFFAOYSA-N	400.525	5.144	10	10	HKCE	
CC(C)[C@@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1868171011	OYANGLZQKAVIJX-OAQYLSRUSA-N	415.464	5.370	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H](c1ccccc1)C1CCCCC1	1891327388	LIZUYZGRUYUWCT-MZBJOSPHSA-N	402.582	5.656	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915372376	FUZUWHGQARLGKH-MRXNPFEDSA-N	415.400	5.998	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2095915961	GWNJDQPLJABWCW-UHFFFAOYSA-N	419.407	5.238	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	2095954868	YZXBLONUZNDVMQ-SFHVURJKSA-N	417.435	6.388	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)CCO)c(Br)c1	2231471912	MHFGUPHYAHFIKP-MSOLQXFVSA-N	419.407	5.115	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	2294061335	VLWHDKDOCFPYJN-UHFFFAOYSA-N	407.876	5.693	10	10	HKCE	
C[C@H]1Oc2ccccc2C=C1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O	2296716946	KIFVNBFHUALSJZ-CYBMUJFWSA-N	413.951	5.449	10	10	HKCE	
CCCCCN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	2314433327	MERSFCSQZBABSX-QFIPXVFZSA-N	421.587	6.138	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	2321609630	CAHWQKCPBUEJMW-UHFFFAOYSA-N	420.346	5.355	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OC	2323802685	ADGLVFJBOAEQTG-UHFFFAOYSA-N	407.601	5.510	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1	2332134036	COQLRKNUAPQEHB-UHFFFAOYSA-N	424.500	5.801	10	10	HKCE	
Oc1c([C@H](Nc2nccs2)c2ccc(Br)cc2)ccc2ccccc12	3009388	NJFOBPIYSKWYCJ-GOSISDBHSA-N	411.324	5.966	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCC1	14470906	FOWVGAXGMRCUHO-MRUHUIDDSA-N	423.900	5.311	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545563	NOHZBSDKXAAIIE-AXHZCLLHSA-N	402.538	5.538	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2	14552363	OYMPAJUXQZXRTP-UMEGOILYSA-N	412.489	5.485	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21	32138885	OATPWHYBWFRJDD-SNUQEOBHSA-N	407.682	5.771	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)c(C)c1	59396605	UWMFOKMYNLUYQX-CXUHLZMHSA-N	420.353	5.177	10	10	HKCE	
O=C1/C(=C\c2ccc(SC3CCCCC3)o2)SC(=S)N1Cc1ccccc1	96475613	KBXPBPXCJSXRAJ-QGOAFFKASA-N	415.605	6.106	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2)c1ccccc1	226691136	ZHIGCUDKFWVZMP-IMWIBFENSA-N	400.909	6.419	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCC)cc1)N2	226858820	ZDRKFRPHARMXJA-MVERNJQCSA-N	418.581	6.174	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@@H]21	226873222	QECOUYDGQKJWHD-SLSDLSHTSA-N	422.594	5.386	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1	381853407	GBYYMZNDXWCIAS-UHFFFAOYSA-N	423.398	6.156	10	10	HKCE	
Cc1cc(NCc2c(O)cccc2Br)cc(NC(=O)OC(C)(C)C)c1	687305567	PHQJBQFGQNYAAG-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1	1860076910	YNVYUUNOBBQVET-RCCKNPSSSA-N	411.592	6.222	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1Cl	1891383362	TYMJGCVLJMCKEH-UHFFFAOYSA-N	419.742	5.571	10	10	HKCE	
CCCN[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1O	1915206056	MGRWEQJIUFQPNK-QFIPXVFZSA-N	412.574	5.650	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915397220	GAJJMFLJDLQTNC-UHFFFAOYSA-N	415.400	5.827	10	10	HKCE	
CCN1CCc2cc([C@H](O)CCCN(Cc3ccccc3)C(=O)OC(C)(C)C)ccc21	1999512808	UXJGTABJLHXOLB-XMMPIXPASA-N	424.585	5.320	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1Br	2078981852	POJCGNVHLRQXDE-GOSISDBHSA-N	423.351	5.205	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080004304	YOLPWLISDCXKJO-GOSISDBHSA-N	402.922	5.087	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC2CCCC2)c(Br)c1	2095844954	IYEIPBFZXGNTQP-UHFFFAOYSA-N	415.419	6.146	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100218539	DOSNPJNBIYIGRE-JHVJFLLYSA-N	418.375	5.323	10	10	HKCE	
O=C(NN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=S)c1ccccc1Cl	2297287239	SXWDELUTMUCSDM-UHFFFAOYSA-N	409.319	5.176	10	10	HKCE	
CC(=O)c1ccc2c(c1)CCN2N=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2318775371	LJDLDNCDZSEQQL-UHFFFAOYSA-N	401.310	5.988	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2321569933	CQFAYPOBWXZFCF-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1	2321653576	PMLBAOGQNPJPCY-UHFFFAOYSA-N	403.956	5.749	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccccc1C(F)(F)F	2321672227	OQBBCDOGSQJLIC-UHFFFAOYSA-N	404.438	5.593	10	10	HKCE	
CC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cc(Br)ccc1F	2332129735	HKUISIXEGZPJBA-UHFFFAOYSA-N	409.258	5.548	10	10	HKCE	
COc1cc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	4821435	OSSFWALRIZNRFB-VEVIJQCQSA-N	404.279	5.432	10	10	HKCE	
Clc1ccc(-c2nc(-c3ccccc3)ncc2/N=N/c2ccccc2)c(Cl)c1	5516900	SXDCZILFPBGKLO-BYYHNAKLSA-N	405.288	7.533	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1O)N2	14460059	GGRSHPYFDGKGEG-AXHZCLLHSA-N	420.553	5.490	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14546163	YYJOCGZEKWCIPH-DROMZSTPSA-N	424.544	6.013	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccs2)[C@H]2CC=C[C@H]32)cc1	14548746	FLDFZWRMTWEJEX-LJFZDNNRSA-N	416.546	6.226	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21)N1CCCCC1	20708254	FSRFYNLYKHUBSR-JQYIIUTOSA-N	408.545	6.292	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)/C=C\c3ccccc3Cl)cc12	33716829	OYYOAIKNBTYXHP-XFXZXTDPSA-N	405.929	5.839	10	10	HKCE	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	33743223	KOWYIBFYWMUHOQ-WJDWOHSUSA-N	420.353	5.254	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1NC1CCCCC1	40598081	ZSPLELRVZPRIIV-BYYHNAKLSA-N	417.473	6.288	10	10	HKCE	
CCOC(=O)c1cccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54619850	GDJMTPOUKROARU-JOCHJYFZSA-N	418.518	5.689	10	10	HKCE	
Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1	59425835	LJESMKXGSCVGDD-GDNBJRDFSA-N	407.809	5.798	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865669288	GRRDRUZLLPDBGM-BOPFTXTBSA-N	408.807	5.083	10	10	HKCE	
CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870987032	NTIMBSFOIWNBST-UHFFFAOYSA-N	421.541	5.028	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915365673	AUGZVLQHJXDVDM-HNNXBMFYSA-N	401.373	5.737	10	10	HKCE	
CCOc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O	2037742908	WRLVHADVOGFZOZ-WCWDXBQESA-N	405.483	5.412	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2N=C(c3ccccc3F)OC2=O)cc1	2040442708	XOISKPONKCIMAD-UHFFFAOYSA-N	400.453	5.197	10	10	HKCE	
CSCCCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S	2040489005	FDQSWYTXLKZYSG-UHFFFAOYSA-N	409.985	5.554	10	10	HKCE	
Cc1cccc([C@H](C)n2nc(C3CCCCC3)cc2I)c1O	2070177457	YQKVJXMSPNACRF-ZDUSSCGKSA-N	410.299	5.159	10	10	HKCE	
O=C1N=C(N2CCCCCC2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	2296537462	OHCKUHXEPDBSAH-UHFFFAOYSA-N	421.349	6.100	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2296764771	PNNXWVQLNJZQRV-UHFFFAOYSA-N	405.466	6.058	10	10	HKCE	
CCOc1ccc(N2C(=O)SC(=Cc3c[nH]nc3-c3ccccc3)C2=S)cc1	2314480755	ORPUSYNILBHCBM-UHFFFAOYSA-N	407.520	5.517	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	2321669701	MGKAVKZDWYNJEH-UHFFFAOYSA-N	419.955	5.462	10	10	HKCE	
Cc1cccc(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	2321683283	HEZPHUWHTYHLFC-UHFFFAOYSA-N	408.592	5.637	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323831820	HIJQIEQKVCZULT-UHFFFAOYSA-N	417.427	5.317	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCC)c(OC)c1	2332124479	GOIRLJVSBPSLFS-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1c[nH]c(C)n1	12240415	HCXRALBOPLCSIT-QFIPXVFZSA-N	409.555	5.287	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2)c1ccccc1	13636422	RVFYONGXHULWEF-OASJLCFRSA-N	424.544	6.188	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2)N1CCOCC1	14464561	MKIFZKXMUVVQEW-POGFHVCPSA-N	410.517	5.139	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476449	KVKAAEORUYBRCM-LLJLJFOGSA-N	416.452	6.139	10	10	HKCE	
CC[C@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549440	BUSPBABKZPLKME-AKGLAYJWSA-N	419.568	7.997	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@@H]21	14552508	DHSPUWPZKWYDLP-BCQCSXDESA-N	424.544	6.473	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226875500	IGVXOLCPDJCEBN-DCJDNPIWSA-N	408.545	6.313	10	10	HKCE	
Nc1ccc(N(C(=S)N2CCC(Cc3ccccc3)CC2)c2ccccc2)cc1	242439314	BLVPYAWERSRKQQ-UHFFFAOYSA-N	401.579	5.647	10	10	HKCE	
Oc1ccc(Br)cc1CNc1cc(F)c(Br)c(Cl)c1	382073281	GHMUPYVFDWDUKL-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
Cc1cc(NCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)ccc1Cl	1081103585	KOKIILPLIWOPKU-ULMKDNCXSA-N	400.956	5.475	10	10	HKCE	
Ic1ccc(/N=N/N2CCC(Cc3ccccc3)CC2)cc1	1860484700	ZKKOPCLOONDHMM-QZQOTICOSA-N	405.283	5.245	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664657	ISMPSLKPJXPSTN-XYOKQWHBSA-N	411.691	5.978	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1	1865678727	BGOKXELQYZIAHJ-ZROIWOOFSA-N	418.724	5.707	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1-c1ccc(C)c(C)c1	1866101401	DBGSTZHQFWGEQE-UHFFFAOYSA-N	424.478	5.287	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)c3cc4c(n3Cc3ccccc3)CCC4)cc2)cc1	1866251194	DJMPRGKLHOHBSQ-UHFFFAOYSA-N	423.516	5.652	10	10	HKCE	
CCc1c(C2(C)CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079824209	SRCJJWZBTXENHE-UHFFFAOYSA-N	403.242	5.032	10	10	HKCE	
Cc1ccccc1NCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S	2297100567	JGOOOJIWSKQWMA-UHFFFAOYSA-N	419.369	5.028	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1O	2297456176	QJLIVPIOOBMECF-UHFFFAOYSA-N	411.672	5.167	10	10	HKCE	
O=C1C(=Cc2cc3ccccc3nc2N2CCCCC2)SC(=S)N1C1CCCC1	2314647764	HDZXRXTZBRZPNT-UHFFFAOYSA-N	423.607	5.369	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321697730	UKDXPGLRCKJXKL-UHFFFAOYSA-N	408.470	5.177	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2ccc(Cl)cc2)cc1	2332099460	XMVATEZJNYNCBL-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3coc4cc(C)cc(C)c4c3=O)SC2=S)c(C)c1	3126713	MNYSAROFFWOLAZ-GRSHGNNSSA-N	421.543	5.432	10	10	HKCE	
COc1cccc(-c2cc(C(=O)NCCc3ccccc3)c(C)n2-c2ccccc2)c1	4420878	SABBJGZYASELIQ-UHFFFAOYSA-N	410.517	5.434	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21	14461151	UAYFAKNCLMIFRJ-CKJXQJPGSA-N	414.343	6.016	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479457	FUEMGJOFIVSWES-HOIFWPIMSA-N	406.526	5.059	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCC)N2	14545786	DDELLFOZPLLDHA-IPVFLDMMSA-N	418.581	6.174	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2	14552269	RSEHIEAPLTZLEC-SLSDLSHTSA-N	420.622	6.497	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2	14552272	RSEHIEAPLTZLEC-FBLLAGFSSA-N	420.622	6.497	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccccc3OC)N2)c1O	53362882	GXOXNABQROZQHD-NVQXNPDNSA-N	416.521	5.330	10	10	HKCE	
CCOc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1	54619057	LCDNOSBMXCDZQK-QHCPKHFHSA-N	402.469	5.988	10	10	HKCE	
CCOC(=O)c1ccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1	54619310	SRNHTSFPGBFMNY-JOCHJYFZSA-N	418.518	5.689	10	10	HKCE	
Nc1ccc(N(C(=O)OCCc2cccc(Br)c2)c2ccccc2)cc1	243546821	OIAHBFZSVNTUFX-UHFFFAOYSA-N	411.299	5.549	10	10	HKCE	
CCCCCCOc1ccc(/N=N/N2CCN(C/C=C/c3ccccc3)CC2)cc1	1860486626	CKPFWNAYAFGKEC-DHZCGLRYSA-N	406.574	5.975	10	10	HKCE	
CCCCCOC(=O)CCCN1C(=O)SC(=Cc2ccc(OC)cc2)C1=S	2297297296	OWQGMTOCNOEZPK-UHFFFAOYSA-N	407.557	5.046	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1OC	2313609497	JZJPCDAEWCDTBU-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1cccc(F)c1	2332104411	ZWQOESJUWZKSFX-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1cccc(OC)c1OCC	2332117427	FLTIQTDFPIFNQO-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1cccc2ccccc12	2332148626	XXCCVJURANZVQR-UHFFFAOYSA-N	419.440	5.583	10	10	HKCE	
Oc1c(CN2CCCCC2)cc(C23CC4CC(CC(C4)C2)C3)cc1CN1CCCCC1	5248451	KOHWVONKUXEYSI-UHFFFAOYSA-N	422.657	5.832	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)SC1=S	5859007	LBENXRGFUXTANA-YBFXNURJSA-N	401.528	5.262	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21)c1ccccc1	14458738	LJSKUVQRTMEAHQ-JCYRPKCISA-N	408.545	6.488	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	14476424	NHHMHFVAOQMJHW-XFAGBWLFSA-N	414.461	5.706	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477280	CGEDYAKASCUVAJ-VFCRVFHLSA-N	401.337	6.414	10	10	HKCE	
COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	20071227	LPGAGUCQEXUGTO-WMZHIEFXSA-N	422.868	5.002	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764800	MBOOVQLMKIVTJS-LADGPHEKSA-N	408.904	5.970	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	33736231	VTXYFDYJCBKWJJ-XSFVSMFZSA-N	405.500	5.590	10	10	HKCE	
CCCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1	40944779	FDNMFSLTYUDEGR-UHFFFAOYSA-N	424.547	5.553	10	10	HKCE	
CCOc1ccc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)cc1	59381979	ILNPEAKKSALHIU-DEOSSOPVSA-N	413.521	5.607	10	10	HKCE	
Cc1ccc(NC(=S)N(c2ccccc2)c2ccc(N)cc2)c(Br)c1	243080414	IQKJIUOSXMGDLS-UHFFFAOYSA-N	412.356	5.875	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	251384731	UKWZKPUKLYSSHP-WOYNUSMLSA-N	417.597	5.888	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860073591	WAQCCQMNXXTFSF-OVCLIPMQSA-N	414.766	6.361	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2ccc(C(C)C)cc2)cc1	1865664192	FHYQWWGKXQVTJW-KOEQRZSOSA-N	410.517	5.649	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc3ncoc3c2)sc(C)c1-c1ccc(F)cc1	1865786135	JSXZLRBPVUONPA-UHFFFAOYSA-N	424.453	5.433	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c(Br)c1	1915420491	INYUKSORSWYWPL-HOTGVXAUSA-N	415.400	6.298	10	10	HKCE	
CCN[C@@H](c1ccccc1O)c1cc(NC(=O)OC(C)(C)C)ccc1Br	2090041408	ACQNIUHNPYJKDR-SFHVURJKSA-N	421.335	5.201	10	10	HKCE	
CC[C@@H](NCCc1csc(Br)c1)c1cc(Br)ccc1O	2185158539	IWGZGAJYOSFDQG-CYBMUJFWSA-N	419.182	5.262	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@H](C)N)c(Br)c2)s1	2237723982	AXGRNBUTERKXLU-JTQLQIEISA-N	418.198	5.238	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S	2313609997	QZOBKBJBQURCSE-UHFFFAOYSA-N	408.863	5.102	10	10	HKCE	
Cc1ccc(N2C(=O)SC(=Cc3c[nH]nc3-c3cccc([N+](=O)[O-])c3)C2=S)cc1	2314487950	LNDSFVNLZFJODJ-UHFFFAOYSA-N	422.491	5.335	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(OCc2ccccc2)cc1	2321698249	YGWFLKBZPNXLLQ-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCc1cc(Br)c(O)c(/N=N/c2ccc(Br)c(Cl)c2)c1	13980737	PUMWZWXBNUCQMB-VHEBQXMUSA-N	418.516	6.548	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21	14460948	ZKEBVPVJSHRRFT-PRXAMGSTSA-N	421.132	5.744	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461992	SNJRPHVIFBZNQP-QXTIUPHPSA-N	424.588	6.938	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462329	XCNYJGMDQYBGAI-UFPGJGBJSA-N	403.570	6.098	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(C(=O)N(C)c3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14546452	BBNBOEHUGQUFTJ-YZIHRLCOSA-N	410.517	5.798	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14550890	RWBGKWLTDAPANR-JTAQYXEDSA-N	417.509	5.438	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1	14551277	ULXFEKTWXZMBAK-AWRGLXIESA-N	408.567	5.078	10	10	HKCE	
COc1cccc2c1O[C@H](c1ccc(N(C)C)cc1)N1N=C(c3cccs3)C[C@H]21	16739448	VZCWOIYBUAIUCD-AUSIDOKSSA-N	405.523	5.065	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20688013	SSSKBMYDFSIUKY-XZDHIHRUSA-N	414.574	5.856	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O	33334972	MTLCPBWFZQXXBU-JABDDIKQSA-N	422.575	5.090	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)N=C2c2ccccc2)cc1	33397628	MXEBPLOOHGFBEN-JWGURIENSA-N	402.881	5.573	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S	205772828	VMGIZPIRUPGCAR-KXGFGANYSA-N	406.617	5.688	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226652912	SEXUIYGXFZPLKU-NYULUDCUSA-N	408.545	6.393	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856949	PVGYDJNIFCCCTG-VVBPWWLESA-N	415.364	6.350	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Cl)cc1	253571447	OYQSAWZINGOLTK-KVPLUYHFSA-N	402.925	5.745	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1	1860073393	ABPNFKVQVPFBHS-LDADJPATSA-N	420.962	5.731	10	10	HKCE	
CCc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1	1865674937	GQZLZIJJAUQBBV-JJIBRWJFSA-N	412.489	5.101	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Br)ccc2O)c1	1925131507	IVNQGVOUCDRXSF-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC2CC2)c(Br)c1	2034819637	XEFAVNXFHCOLNE-UHFFFAOYSA-N	401.392	5.611	10	10	HKCE	
CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1(C)CC1	2079694634	CTPQBCZWFDWDLB-UHFFFAOYSA-N	403.242	5.032	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCCCOC)Cc2ccccc2)c(Br)c1	2095867643	DDDILEMZXZWWKL-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2095952917	ZTRJINJHKLRWJH-SFHVURJKSA-N	417.435	6.390	10	10	HKCE	
CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc(Br)c2cccnc12	2297449562	PXASPSQXDLVEIJ-UHFFFAOYSA-N	423.339	5.517	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccccc1Nc1ccccc1	2313609983	QJZCVPOWIJRZBP-UHFFFAOYSA-N	422.962	6.489	10	10	HKCE	
CC(=C1SC(=S)N(c2c(C)cccc2C)C1=O)c1ccc(Br)cc1	2314533635	SLIKWUIEHWLUBZ-UHFFFAOYSA-N	418.381	5.862	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(OC)cc2)sc(C)c1-c1ccccc1	2314754180	MNUUFVVYFIXLBW-UHFFFAOYSA-N	407.491	5.171	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1	2321609662	YWOKNQWMFGYWGM-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)ccc1O	2332094762	FBSAOUGCDJBYGG-UHFFFAOYSA-N	418.880	5.279	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cc1OCC	2332107058	JNKZINGTQQAVSY-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
O=C(Nc1ccccc1)c1cc2ccccc2c(N=Nc2cccc(Cl)c2)c1O	2333206179	MDODOQLFXACXDN-UHFFFAOYSA-N	401.853	6.867	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3O)C2)cc1	4730039	FIKBKRWWPDWUPY-GGAORHGYSA-N	411.332	6.230	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	14468940	QFJTUWSYRVNWSM-YPCDYVTLSA-N	421.537	5.872	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471303	RLDVQZFVKIXUHP-QYWGDWMGSA-N	411.889	5.669	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(Cl)c1	14477444	XEJGGXPYRBOOQC-XLNZFTOWSA-N	407.344	7.564	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	20749245	WDOARMDOWCSJHL-KHCICDEESA-N	402.538	5.584	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCCCCC1	20756694	RWBGKWLTDAPANR-ZRCGQRJVSA-N	417.509	5.438	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1	39372931	NHPIGCWGPQRFJS-UMGGQSCQSA-N	413.477	5.000	10	10	HKCE	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1	59135390	ZGBSCKUDDNENQG-WQRHYEAKSA-N	424.815	5.554	10	10	HKCE	
COc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1	526322838	KAONBVFPZSRTMW-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
CCCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccccc3C)cc2)C1=O	1865676885	PQFOVUMSWNUOQT-UYRXBGFRSA-N	402.416	5.128	10	10	HKCE	
CCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679389	LCEHKLSLHBOGIX-LTGZKZEYSA-N	416.908	6.115	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	1865679994	RCFZGIDHHHAQKX-UYRXBGFRSA-N	423.299	5.837	10	10	HKCE	
CC1(C)C[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H]1OCc1ccccc1	2038728630	KICXSJVQDZZEAA-PKOBYXMFSA-N	424.766	5.282	10	10	HKCE	
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)Nc4cc(Cl)ccc43)c2C)cc1	2297319130	VRNHVUHQCAWCDY-UHFFFAOYSA-N	420.896	5.417	10	10	HKCE	
CC(C)(C)c1ccc(C2=CC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	2313510548	QLDFEIOCSJDWEU-UHFFFAOYSA-N	415.445	6.134	10	10	HKCE	
O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1c1cccc2ccccc12	2321698358	QPWBAFKUCJZRMK-UHFFFAOYSA-N	405.500	5.017	10	10	HKCE	
Nc1ccc(N(C(=O)NC=Cc2cccc(Br)c2)c2ccccc2)cc1	2325905592	CJMLUKYDTSEZEO-UHFFFAOYSA-N	408.299	5.550	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c[nH]c2ccccc12	2332128105	RCTBMIPRLLMGOX-UHFFFAOYSA-N	412.320	6.057	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CC[C@@H](C)C3)cc1	2909563	CVCOGEQBJJKUQW-MRXNPFEDSA-N	421.566	5.531	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14458056	LZTAVKUEEFISSX-CQIJWSFUSA-N	423.600	7.450	10	10	HKCE	
Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476503	RNCXLUFPNPISRE-HOOSLVGPSA-N	422.355	7.399	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2	14550592	BHKOAWWFDOGHLJ-FBLLAGFSSA-N	404.554	5.784	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20763942	DQQMJARVLLGBLC-WIOPSUGQSA-N	420.484	5.161	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3O)C2)cc1OC	53363056	QNWYVDPTFQSGQG-HYBUGGRVSA-N	422.912	5.285	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	206719200	LVBOFPWLXMYEPY-SDXDJHTJSA-N	419.612	5.309	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226805872	LNHXKCNORSFMQR-DXBVXKBHSA-N	403.566	6.871	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)c(Cl)c1Cl	236592678	LRYBFEVZOUJBMI-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
CC(C)N(C(=O)c1ccccc1Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859891486	FXGSOCYDEXVKTM-UHFFFAOYSA-N	403.865	5.171	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	1860073497	KUGBYZFPXICNQQ-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(F)cc1F	1865673582	MRWVGUSXRNDKRG-MHWRWJLKSA-N	405.242	5.314	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1c2ccccc2nc2ccccc12	1891797426	JVJJIHXDZAMDQM-FPOVZHCZSA-N	407.517	5.307	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2cccs2)nc1-c1ccc(-c2ccccc2)cc1	1892040857	JHRDKIDZYNEMNM-UHFFFAOYSA-N	412.561	5.648	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C2CCC2)cc1Br	2223529829	DQAFSKNVJJNILN-KRWDZBQOSA-N	401.392	5.896	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	2294623680	SAPKOBWJHFUSET-UHFFFAOYSA-N	418.729	6.192	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3Cl)C2=O)c1	2321646987	DHPKDVDXMLNGJP-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(c2ccc(Nc3ccccc3)cc2)C1=O	2321672427	TVFIBMOEEOOXNI-UHFFFAOYSA-N	402.544	6.144	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)cc1	2332096473	LIYRJLJJSXRLJQ-UHFFFAOYSA-N	403.707	5.689	10	10	HKCE	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(Br)c1	2332097783	DANCYMLUZKKLKY-UHFFFAOYSA-N	410.098	5.562	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OCC	2332106695	VQXSXJXJPAZJJT-UHFFFAOYSA-N	410.489	5.205	10	10	HKCE	
CCOc1c(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cccc1OC	2332117447	IACSSBOMRVMRIA-UHFFFAOYSA-N	405.281	5.207	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455924	XYXUIUBORDYJGI-QMHWCDLVSA-N	400.547	5.813	10	10	HKCE	
Cc1ccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)s1	14456704	IVIDYALFOBLMIH-WATLYSKOSA-N	403.547	6.341	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463112	GHLKUJPNEOUJII-FBLLAGFSSA-N	415.581	5.024	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464053	JVRVYKTUGMOZOW-XTJBDQBJSA-N	418.562	5.353	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2	14464578	LWSYTWGCEJMWQK-AGJHTDJMSA-N	424.588	6.929	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14546798	KCMKATGDZOBJGM-WEBUEUPWSA-N	413.348	6.056	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226676384	XCNYJGMDQYBGAI-TVZXLZGTSA-N	403.570	6.098	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	1860085817	LIEHSHIQDYTUHQ-KGENOOAVSA-N	418.543	5.092	10	10	HKCE	
O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)cc1F	1860087344	QORUISXBWATZCI-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cccc(Br)c1	1865656834	UXAHITCWQXDJQU-GXDHUFHOSA-N	421.697	5.433	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1\C(=O)N(Cc2ccccc2)N=C1C(F)(F)F	1865667177	JAUFMNCDTQRAGG-UYRXBGFRSA-N	410.395	5.193	10	10	HKCE	
CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(Br)c1C1CCC1	2079647769	TWIDMLREDUCCPJ-UHFFFAOYSA-N	403.242	5.248	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C=O)c2Br)C(C)(C)C)cc1C	2080038556	RYQBUNURJOTIFN-OAHLLOKOSA-N	415.278	5.354	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)cc1Br	2095877574	NHDBMYZQVTTZCG-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1	2296453289	IUDQSKBQFGYAMN-UHFFFAOYSA-N	420.559	5.509	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1	2296879999	PJLGUKXHIZLHGW-UHFFFAOYSA-N	418.587	6.092	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(SCc4ccccc4)o3)SC2=S)cc1	2297350124	XWKHFYSPNXXWBH-UHFFFAOYSA-N	423.584	6.286	10	10	HKCE	
CCCCCCN1C(=O)C(=C2SC(=S)N(c3ccccc3)C2=O)c2ccccc21	2297456204	WVKRZWHJXOFVEF-UHFFFAOYSA-N	422.575	5.390	10	10	HKCE	
CC[C@H](C)N1C(=O)C(=Cc2cc3ccccc3nc2N2CCCCC2)SC1=S	2314647745	GURGBGBDBJDJDV-HNNXBMFYSA-N	411.596	5.225	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321585731	VMUVLSZDBWVETK-UHFFFAOYSA-N	407.438	5.314	10	10	HKCE	
O=C1C(=Cc2ccccc2F)SC(=S)N1c1ccc(Nc2ccccc2)cc1	2321672387	GRHBCSWUTISXBT-UHFFFAOYSA-N	406.507	5.975	10	10	HKCE	
O=C(O)c1ccc([C@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]23)cc1	12469739	OYQYAHPUBRQEQE-TZBSWOFLSA-N	413.542	6.504	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	13644948	ZDTFYNCHGUVAFX-IXFSTUDKSA-N	409.961	5.971	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476741	AWTSHMXYZGBDHA-OREGWCPLSA-N	411.545	6.879	10	10	HKCE	
CSc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552041	PBOZBTCOYAPXQS-MIZPHKNDSA-N	404.579	5.861	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	14552424	BULJZNHXBQVDIY-FBLLAGFSSA-N	414.936	6.727	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	20683488	LFXULZYPBIRMJR-PNCHPQGNSA-N	409.526	5.574	10	10	HKCE	
COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1O	36347502	FOFUDJHOZXCVHY-NRFANRHFSA-N	417.336	5.504	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1cccc(F)c1	59192281	KLORGFWOTMKFGT-XDHOZWIPSA-N	417.527	5.025	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226648795	TWFRYMQQGHERIB-DXBVXKBHSA-N	403.566	6.871	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1/SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	1084248851	HYTMTDDTCQRRMA-WDGDVPDHSA-N	400.491	5.176	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1858590483	SKNAJAWZHMCRLB-GXDHUFHOSA-N	412.418	5.865	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C(c2ccccc2)=NN1Cc1ccccc1	1865665054	YYEBYIBHICUSHP-UYRXBGFRSA-N	407.300	5.824	10	10	HKCE	
Cn1cccc1/C=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	1865670650	LAPYSPHWLBMSOG-AQTBWJFISA-N	410.304	5.162	10	10	HKCE	
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	1874180060	XVNKDZQTAZTIAS-QGZVFWFLSA-N	411.501	5.403	10	10	HKCE	
CC[C@@H](O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	1915404529	OAAQUJDYOCHVIF-LJQANCHMSA-N	419.407	5.115	10	10	HKCE	
CCN(CC)c1ccc([C@H](O)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1	1977936232	UDAPZBKVZTZCAV-HSZRJFAPSA-N	412.574	5.394	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br	2034783326	QCJKQFBTISTNIZ-UHFFFAOYSA-N	402.332	5.600	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2034788092	PLUZBGWCPCRSCP-KRWDZBQOSA-N	403.408	6.172	10	10	HKCE	
CCOc1ccc2cc(C(=O)C(=O)c3ccnc(NCc4ccccc4)c3)ccc2c1	2059923432	PCYVRLVDSVXVCI-UHFFFAOYSA-N	410.473	5.311	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)cc1Br	2113618398	PUEQOHBLYMYDRR-KRWDZBQOSA-N	419.407	5.113	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1Br	2231454908	RCYHTBCXFWSBCG-DYESRHJHSA-N	417.391	5.133	10	10	HKCE	
O=C1C(=Cc2ccc[nH]2)SC(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2321569816	GQLAXTWGTMFELK-UHFFFAOYSA-N	422.375	5.458	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	2323680894	UUTXHYAWKPCTNY-IMIFBBOLSA-N	422.959	5.274	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1	14462858	ZDBBQYFTXVDHDX-AWRGLXIESA-N	424.610	5.713	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467614	MTWOPORRYHVGDA-UHYGZKCKSA-N	403.309	5.275	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	14471010	YHOVTCIWUWWTBL-AUSJPIAWSA-N	411.889	5.213	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471205	VPHPKXLYXZBBCT-GCKMJXCFSA-N	414.889	5.490	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546900	WEFHMHJRRDYXCR-YGKZAACZSA-N	402.365	7.245	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547042	PVGYDJNIFCCCTG-PONJGIIJSA-N	415.364	6.350	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CNc1cccc(F)c1	59378449	FFLYFXVLUOGJFK-GIDUJCDVSA-N	413.326	5.403	10	10	HKCE	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1C(F)(F)F	59396736	HSNHNRYLXXIBQP-ZROIWOOFSA-N	410.398	5.019	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385580687	VPTMXTQFSQTEQU-DLBZAZTESA-N	401.392	5.925	10	10	HKCE	
CC[C@H](N[C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cc(Br)ccc1O	717982786	WVKPBZPKRFTIIZ-JBACZVJFSA-N	418.375	5.579	10	10	HKCE	
Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(Cl)c3)cc2)c2ccccc12	1503981839	KXVILEXNGKXGGM-NBHCHVEOSA-N	401.857	7.612	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858590892	NAADFMBLOHGQBN-RGHBXIHOSA-N	401.519	6.266	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1	1860085913	TTYRNWWINVDIHA-OQLLNIDSSA-N	420.537	5.097	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673459	FTZJRGRGSIDBRW-LDADJPATSA-N	415.306	5.479	10	10	HKCE	
COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCc1cccc(C)c1	1865676985	PVJQYMYKAOTOEZ-XQNSMLJCSA-N	412.489	5.389	10	10	HKCE	
CCOC(=O)c1c(NC(=O)c2ccc(C)nc2)sc(C)c1-c1ccc(OCC)cc1	1865767611	BGJOYNDYALRROU-UHFFFAOYSA-N	424.522	5.255	10	10	HKCE	
CCN(CC)c1cccc(OCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1	1872865267	WMTFZJHMZMJMSG-UHFFFAOYSA-N	417.553	5.430	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2ccc(Br)cc2O)c1	1925131790	KQWAEKVQUUEDLC-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccccc1Cl	2296881499	KSPANLMQVCFGIU-UHFFFAOYSA-N	422.984	5.022	10	10	HKCE	
CC(Nc1ccccc1C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2297732940	HRWSZQSDIUSKQF-UHFFFAOYSA-N	416.428	5.256	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1CCc1ccc(F)cc1	2323858628	VMUPBULKPBIXKW-UHFFFAOYSA-N	422.344	5.032	10	10	HKCE	
Cc1cc(NCc2ccc(C)c(Br)c2O)ccc1NC(=O)OC(C)(C)C	2352940813	IQXGXJFOKCHIPZ-UHFFFAOYSA-N	421.335	5.731	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cccc(CC)c3)[C@H](C)CC)ccc21	3585656	OTZRCSZIKDXXTF-HXUWFJFHSA-N	423.670	6.409	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459106	NKAQBMVZHMVXCT-XLNZFTOWSA-N	418.537	5.290	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21	14474298	MYIIHJJBQDGRNB-DFIYOIEZSA-N	410.517	5.491	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14549550	MVIHFJPKVULNCX-DPLHUUCSSA-N	420.509	5.453	10	10	HKCE	
Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1cccc(Cl)c1	15728512	UXUQRYDDTNFQKB-UHFFFAOYSA-N	411.977	5.516	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1	33330203	PRJNSIPLRBVJID-OMYHDSEFSA-N	424.529	5.398	10	10	HKCE	
O=C1/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1C1CCCCC1	35518780	TUIRCKWLJQKCNB-XSFVSMFZSA-N	420.559	6.029	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53363529	OZLHEDSIVWQAMT-NOZRDPDXSA-N	404.941	6.139	10	10	HKCE	
Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc(/C=C/c3ccccc3)cc2)cc1	196992777	IDCZNHRNKIXFOH-WUKNDPDISA-N	403.569	7.681	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O	226736631	QYMOPENFKQNVJF-CKNLXJGOSA-N	404.293	5.754	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(CCCNCc2cc(Cl)cc(Cl)c2O)CC1	401041214	YZMZMQCLAXJWLN-UHFFFAOYSA-N	417.377	5.216	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2F)cc1	526201429	ZZZLDZXXRGXTCU-JOCHJYFZSA-N	422.887	5.602	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1	1865666076	BLGQSRGINDRACM-STZFKDTASA-N	402.881	5.184	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2c2ccccc2)cc1OC	1865669671	VIUOQXATYJTUHV-FXBPSFAMSA-N	406.526	5.304	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)c(Br)c1	1915365439	XSUGJZROUSACDU-HNNXBMFYSA-N	401.373	5.737	10	10	HKCE	
CN[C@@H](CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999526978	HHYQEPQLTBGRSA-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccccc1	2293163866	ZMDZCPNOJLUINF-UHFFFAOYSA-N	411.935	6.001	10	10	HKCE	
Cc1cccc(COc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2Cl)c1	2297624950	LWPLAGSFHJATHZ-UHFFFAOYSA-N	410.347	5.370	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(Cl)cc1Cl	2321664104	KRFDQWZWSBKRGA-UHFFFAOYSA-N	402.274	5.677	10	10	HKCE	
COC(=O)c1ccc(Cl)c(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1	2321683340	CGZLKQYDINBDRI-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCC)c(OCC)c1	2332106923	VVIDROHMASKGBP-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14461437	BFLYBHYHGLJMCE-VBOOUTDYSA-N	410.561	7.152	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCC1	14548045	SSVOLFUCYIDHME-NYUJMHJJSA-N	410.517	5.608	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549060	GQZUNICHPKTZDL-VOKYQHOCSA-N	418.584	7.666	10	10	HKCE	
CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1	14551690	KQLUAWRPZLHEMB-XFAFFCHDSA-N	422.572	7.063	10	10	HKCE	
C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S	15045338	VYYJAIMUGHROQF-NOMGLIDZSA-N	424.591	5.213	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@@H]21	20701621	LDOXXFZBXDXKGC-CFZJUORYSA-N	403.309	5.227	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ccc(Br)cn3)c3ccncc3)c(O)c2n1	54200431	JCTHZHCJCDQXQT-IBGZPJMESA-N	421.298	5.003	10	10	HKCE	
CC[C@@H](NC(=S)N(c1ccccc1)c1ccc(N)cc1)c1ccc2c(c1)CCCC2	242692350	CXFKKBFXKQQQKI-RUZDIDTESA-N	415.606	6.312	10	10	HKCE	
CCN(CC[n+]1ccccc1)c1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1	1615944628	KISSSUOBAXJGNG-OCOZRVBESA-N	400.333	6.223	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1	1860086053	HGLUUXVGVPSCIV-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)cc1OC	1865669255	JPYUVQRTPIOQMV-HMMYKYKNSA-N	424.516	5.595	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)c2ccccc21	1865670772	QIGKSHBRXFBRFU-YVLHZVERSA-N	417.818	5.176	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	1865680736	USYWOTUKNHUADH-UYRXBGFRSA-N	407.300	6.136	10	10	HKCE	
Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	1872957102	WNRBPLBTLCSHIV-UHFFFAOYSA-N	414.505	5.234	10	10	HKCE	
CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Cl	2080005342	KAXKJZUDBPYTIG-SFHVURJKSA-N	404.938	5.333	10	10	HKCE	
C[C@@H](Nc1ccc(Cl)c(I)c1Cl)c1ccccc1O	2093950113	ZHKRWMNVARPJJN-MRVPVSSYSA-N	408.066	5.477	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100209001	ZCBQOQLTLISHSO-NPFVIJTESA-N	417.391	5.304	10	10	HKCE	
CC[C@@H](N[C@@H]1CCCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	2104266601	PBBPWLYCVPCQJC-TZIWHRDSSA-N	417.391	5.250	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(C2CCCCCCCCCCC2)C1=O	2323739849	UGQHDFCRJMTAST-UHFFFAOYSA-N	417.640	6.570	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323850722	FGKSXLUPCNVUFL-CYBMUJFWSA-N	402.412	6.554	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332114687	GJUJPFHIVKBITC-UHFFFAOYSA-N	402.416	5.522	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14458550	FGCZVXBUIDVTPJ-SGIRGMQISA-N	400.566	6.226	10	10	HKCE	
COc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1O	14459990	DANDAOMCKVKZLX-UZINWLIJSA-N	419.565	6.577	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463310	OWKMCOWIFZTAGU-QXTIUPHPSA-N	423.600	7.648	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)N1CCCCCC1	20700880	VIHIKQWEQDIELQ-KHCICDEESA-N	406.957	6.183	10	10	HKCE	
COc1ccc([N+](=O)[O-])cc1N[C@H](c1ccccc1)c1ccc2ccc(C)nc2c1O	54621676	LTMGIBWWIKHFQS-JOCHJYFZSA-N	415.449	5.367	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226696860	PBCYKHXHPLJMEJ-SIFCLUCFSA-N	417.336	5.665	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	226903392	JCWJZXUHGZNCLZ-HMFYCAOWSA-N	416.612	5.385	10	10	HKCE	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	504096553	QTOCPACSSHFGOY-HLFMIMNKSA-N	412.327	6.128	10	10	HKCE	
CCN1/C(=C/c2sc3ccc(OC)cc3[n+]2C)C=Cc2cc(Cl)c(Cl)cc21	1614353093	KQEZZHNZHPQITE-UHFFFAOYSA-N	418.369	5.935	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1	1860074750	JHZGDVNMQDCSRX-LFIBNONCSA-N	404.354	5.417	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865677114	WSYMQHJEJHJHNQ-KOEQRZSOSA-N	410.517	6.079	10	10	HKCE	
O=C(CCc1cc(Cl)cc(Cl)c1)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891190943	LEAKKXMITLLFIV-UWJYYQICSA-N	403.353	5.231	10	10	HKCE	
CC[C@@H](Nc1cccnc1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O	2109207530	LFDGELMYEOVLNX-CQSZACIVSA-N	422.323	5.460	10	10	HKCE	
Cc1sc(C)c(CNCc2cc(Br)cc(F)c2O)c1Br	2154089984	AUSLNMWPGWKKMB-UHFFFAOYSA-N	423.145	5.024	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2ccc(Br)s2)cc1Br	2156990948	XXWXBGAEGTXOFL-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1	2296812851	LRMXLCIWRIWOQM-UHFFFAOYSA-N	410.398	5.019	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1	2297302842	YQHPCXQTAIARIZ-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S	2297748684	WHZCYEQMWVXWIG-QGZVFWFLSA-N	401.556	6.316	10	10	HKCE	
CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313683167	SXHGOQBLIGQWRB-UHFFFAOYSA-N	423.850	5.755	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(C45CC6CC(CC(C6)C4)C5)C3=O)c2c1	2318683865	JYQLIWVVPQJKQD-UHFFFAOYSA-N	424.591	5.347	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)c1	2318756164	JIPIGUFAPWMRLE-UHFFFAOYSA-N	424.591	5.337	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1	2321591394	HYYWMSNXOZJPTE-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1	2321663717	CUWVVQLFYLTPBY-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
O=C1C(=Cc2ccccc2F)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332096180	XKISNBDNPGKDHA-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
CC1CCN(c2cc(NC3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1	6737923	CCBYFYJPXSUMEJ-UHFFFAOYSA-N	415.537	6.020	10	10	HKCE	
O=C(NCc1ccccc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6751181	SBFIQKLOPISJNZ-UHFFFAOYSA-N	406.529	5.953	10	10	HKCE	
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14004272	SPBDJEYQVNRCGI-HCBSBNFZSA-N	404.470	5.768	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21	14546975	CHJYDZYFTNCEBY-YGHRGLEHSA-N	404.337	6.235	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1	33314467	JQNMQXIFDUAOQK-MTJSOVHGSA-N	412.445	5.040	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3O)C2)cc1	53363078	QOASSDIYKPBDQY-ILBGXUMGSA-N	402.494	5.022	10	10	HKCE	
O=[N+]([O-])c1cc(/C=C\c2nc3c(ccc4ccccc43)s2)ccc1N1CCCCC1	104402917	ODDHYHHTVCVLCO-LCYFTJDESA-N	415.518	6.518	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccccc2)cc1	526299873	NFTSKFLOCGSJAN-SANMLTNESA-N	420.512	5.963	10	10	HKCE	
O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc2ccccc2c1	526337738	GZQAUHSXQNWIPS-JOCHJYFZSA-N	415.470	5.370	10	10	HKCE	
FC(F)(F)c1cc(/N=N/N(Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1	1860480705	RRGWHQIMOXONNS-ZQHSETAFSA-N	423.360	7.430	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C)ccc2OC)sc(C)c1-c1ccc(C)c(C)c1	1865968623	BAAANPXARRNVDV-UHFFFAOYSA-N	423.534	5.696	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C)c(N)c2)sc(C)c1-c1ccc(C)c(C)c1	1866086629	KWSZYRBPXOZIMU-UHFFFAOYSA-N	408.523	5.270	10	10	HKCE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc([C@@H](C)O)c(Br)c1	1914856529	CUDMPVVJVFCSMD-JKSUJKDBSA-N	416.384	6.332	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1	2321698410	JOAGURREQRTVQB-UHFFFAOYSA-N	413.564	5.757	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(C3CCCCCCC3)C2=O)cc1OC	2323733088	YDUQVEBPNOUXBY-UHFFFAOYSA-N	419.612	5.798	10	10	HKCE	
COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099454	XCPCGUBYDQRYCC-UHFFFAOYSA-N	423.299	5.837	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1	2332099955	VZXTVZMZDVVGTH-UHFFFAOYSA-N	410.517	5.827	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c(OC)c1	2332140527	NYNNNQSSHXCYRB-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13645076	CJXMEAGHMRBKNC-FXSPECFOSA-N	415.581	5.595	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@H]21	14460957	GMUROBKPDRNKES-WVQJBOLRSA-N	411.126	6.288	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469683	LLJDMHPKUSZSEN-YZUZCNPQSA-N	414.461	5.706	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@H]21	14470201	BFTGQGYXVNNLSR-FBLLAGFSSA-N	410.517	5.452	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470484	IQIPZKLNRWZTDU-XFAFFCHDSA-N	424.544	5.842	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14479773	WQSXONPDXGTSSX-HWBMXIPRSA-N	422.594	5.433	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546128	KJMWDFQDCCOZJA-UZINWLIJSA-N	424.544	5.494	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@H]21	14553664	AFHGKOQTMJEKQH-OREGWCPLSA-N	424.544	6.473	10	10	HKCE	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1	30827185	QTMBVCMYJQDWOM-UHFFFAOYSA-N	410.473	5.313	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=S)cc1C	33683412	NPDKEOPROMSXDX-STZFKDTASA-N	408.592	5.618	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cc(Cl)cc(Cl)c3)c3ccccc3)c(O)c2n1	54621558	VSVKMOBADRCJFG-NRFANRHFSA-N	409.316	6.757	10	10	HKCE	
Cc1cc2c(n1-c1ccc(Br)cc1Br)CC(C)(C)CC2=O	110036037	SOQXFOXXTXHHRN-UHFFFAOYSA-N	411.137	5.466	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(CCCCCCCCCC(=O)O)C1=O	210499296	QBKQJSQPGGOYOM-OBGWFSINSA-N	405.585	5.402	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226667693	FGCZVXBUIDVTPJ-SLSDLSHTSA-N	400.566	6.226	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226833519	ZRTWYEQNNRUYIB-XFQAVAEZSA-N	401.337	6.414	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	250505073	KLOMCKYIGYKTAZ-JFXIUAIZSA-N	424.544	5.575	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C/C(=O)O)c(Br)c1	385244798	HHGUFJLJZYVCEK-HBIYDYFMSA-N	400.316	5.352	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1c(F)cccc1F	1891949737	PASGVGZRKPBCDY-UHFFFAOYSA-N	421.277	5.196	10	10	HKCE	
CCCNCc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1946824822	UFSAUVJUBMBWFT-UHFFFAOYSA-N	419.588	5.464	10	10	HKCE	
CCN[C@H](C)c1ccc(N2CCC[C@@H](OCc3ccccc3)C2)cc1Br	2129810953	PHSIODBDRVRKCN-YLJYHZDGSA-N	417.391	5.305	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)c(Br)c1	2186588571	ACJCREKDOBTZHP-NXEZZACHSA-N	418.198	5.490	10	10	HKCE	
COc1ccc(CN2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2297506192	ADPTWMYNJFNRSE-UHFFFAOYSA-N	409.454	5.115	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC	2321664038	PWLQLXKTMKWYLC-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OCC	2332114131	WHBNCGSXEFRDGP-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
CCCOc1c(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cccc1OC	2332118391	GNKOEAUHUSYDAF-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
CC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(Br)cc1	2332147755	VTPAZWLCHKPDQL-UHFFFAOYSA-N	407.670	5.043	10	10	HKCE	
CCN1/C(=C/c2sc3ccc(-c4ccccc4)cc3[n+]2CC)C=Cc2cc(C)ccc21	5128460	GJDCFJGFJUWOFW-UHFFFAOYSA-N	423.605	7.078	10	10	HKCE	
CCc1ccc(N2N=C(C)/C(=C/c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1	8569881	FJTZUHZJTDQPAS-JCMHNJIXSA-N	406.526	5.489	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1Cc2ccccc2S1	11968014	WFEDHHJJVZHADJ-ILBGXUMGSA-N	411.526	5.468	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455948	UCOHZWOHHWWSEC-VCWCOCMLSA-N	414.574	6.374	10	10	HKCE	
COc1ccc([C@@H](C)Nc2c(Br)cc(C)cc2Br)c(O)c1	20486940	FDHOKDIUTOEBBD-SNVBAGLBSA-N	415.125	5.407	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	20683008	HQHTTXMHRNJVAH-LPMFXHHGSA-N	416.315	5.301	10	10	HKCE	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C	59396910	GTROXUZAUDJGOL-ZDLGFXPLSA-N	419.955	5.542	10	10	HKCE	
COc1cccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c1OC	105348680	AHNXZZIMRWKWCZ-XMMPIXPASA-N	413.473	5.082	10	10	HKCE	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C	254487522	BYSWDNBNMZHMHK-WRUPXOJVSA-N	400.647	6.856	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	384076414	SDBRCNCHXAYDAP-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C\C(=O)O)c(Br)c1	385244799	HHGUFJLJZYVCEK-KUGGDMIFSA-N	400.316	5.352	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526305332	YZDXWRQYVVZGAT-HSZRJFAPSA-N	418.924	5.772	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1	1084202026	QMRWLDJLRDJYII-QGOAFFKASA-N	414.508	5.180	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cccc3ccccc23)cc1	1865664205	FTQOBEZOWHLCHW-HAVVHWLPSA-N	405.457	5.078	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1Cc1cccc(F)c1	1865665075	ZWQOESJUWZKSFX-JYRVWZFOSA-N	417.189	5.477	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665959	VOGQOYLWUISFKV-MDWZMJQESA-N	411.691	5.978	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	1865673948	GMLKDRCUWQPCOV-KGENOOAVSA-N	410.945	5.957	10	10	HKCE	
Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2)cc1	1892066390	GMAYDWIYQWVXOI-UHFFFAOYSA-N	412.492	5.305	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	2294499019	KIVSKAPIHQYYCZ-UHFFFAOYSA-N	424.330	5.124	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	2297468264	OMUBTSCYXMMXRV-UHFFFAOYSA-N	419.554	5.212	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1	2313671161	LTTHWDJEOSITIP-UHFFFAOYSA-N	416.864	5.212	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1	2321647291	IOSGBJWZGCFWPS-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323850856	RIRGMLMRFYILHI-CQSZACIVSA-N	412.418	6.009	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113913	XJRLTWOWOACDAY-UHFFFAOYSA-N	404.897	5.694	10	10	HKCE	
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	6266818	HCYIVZMKLCIMFT-OREGWCPLSA-N	406.485	7.036	10	10	HKCE	
CCN1/C(=C/C=C2\SC(=S)N(C)C2=O)C(C)(C)c2cc(-c3ccccc3)ccc21	6353626	QSEGXRZPKRTTGO-IWXNDQKYSA-N	420.603	5.729	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479693	JJDCSTHYXDFJPF-BSRJHKFKSA-N	406.526	5.059	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543620	ATFWECHJNPROHC-VBOOUTDYSA-N	417.593	7.261	10	10	HKCE	
Fc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14549861	PHKMQUFBEZTYTM-UMFSSWHCSA-N	401.481	6.110	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@@H]21	20701647	MTWOPORRYHVGDA-PJFSTRORSA-N	403.309	5.275	10	10	HKCE	
O=C(O)c1cc(-c2ccc(/N=N/c3ccc(O)c4ccccc34)cc2)nc2ccccc12	27495891	RELFBJRYKDQCQD-ZQHSETAFSA-N	419.440	6.874	10	10	HKCE	
CCCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	34981500	QHYQKZLSWZEEPF-LSSXRZCCSA-N	407.560	5.748	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226654052	KMVMOLSYJMJQBN-QSEAXJEQSA-N	414.593	6.455	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	226790268	BZUHJNLFSSZZLY-WHSLLNHNSA-N	411.889	5.813	10	10	HKCE	
Oc1c(F)cccc1CNc1c(Br)cc(Cl)cc1Br	311281594	CFBLIBJGFDLXQH-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)c1	1865668891	VULJUMQBEVLWKT-QJOMJCCJSA-N	416.908	5.963	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1	1866003711	OKDSAAFQWMXSKX-UHFFFAOYSA-N	422.484	5.331	10	10	HKCE	
CN[C@H](C)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	2018699165	XNJFDCJYAXIYRB-HXUWFJFHSA-N	423.551	5.384	10	10	HKCE	
CCCNCc1ccc(N2CCC[C@@H](OCc3ccccc3)C2)c(Br)c1	2129820139	QPPRCBGLYUWGQE-HXUWFJFHSA-N	417.391	5.134	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H](C)CC)c(Br)c1	2223536932	IGDKDMVRDBZAGE-ZWKOTPCHSA-N	403.408	6.142	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNc1cc(F)ccc1I	2271696423	BDFGRKWHHZCQLB-UHFFFAOYSA-N	412.029	5.055	10	10	HKCE	
Cc1cn(-c2ccccc2)c(C)c1C=C1SC(=S)N(Cc2ccccc2)C1=O	2297452968	ZPCLRUMZTGLQCJ-UHFFFAOYSA-N	404.560	5.496	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)ccc1O	2332124800	QODNCNDWMZTAJC-UHFFFAOYSA-N	413.315	5.045	10	10	HKCE	
Cc1ccc(CNc2cc(F)cc(Br)c2C)c(O)c1Br	2380792835	MIKCRXFKQBCWGF-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461956	BMIDJRUACMOEJU-QQNWGBJXSA-N	418.625	7.318	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14467000	YIQWBVSBAAGPPJ-PMAPCBKXSA-N	423.343	7.269	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21	14475253	PXGUXZYCEVQNBH-NLJOTIRTSA-N	422.572	6.729	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1ccccc1C)[C@@H]1CC=C[C@H]21)c1ccccc1	14479013	XTWPCEXGCXDFJV-ZEVJAHDQSA-N	408.545	6.488	10	10	HKCE	
C/C(NCc1ccccc1Cl)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	17092022	GGUPZAQIURMHKF-CJLVFECKSA-N	419.887	5.294	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20679221	LQKJSTIKJIWKQY-GKAFBRTNSA-N	424.544	6.093	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@@H](c3cccc(F)c3)N2)c1O	53364463	LWVZWNZGPFDMKR-RCZVLFRGSA-N	404.485	5.461	10	10	HKCE	
CC(=O)N(C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N)cc1	243650071	OZLDQUPSOMUJGM-UHFFFAOYSA-N	421.366	5.056	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)c(O)c2)cc1	526457966	ODYFRYJNWLAESH-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086041	GIZCUXFFYAVRML-LDADJPATSA-N	418.946	5.485	10	10	HKCE	
Ic1ccc(NN=NC(c2ccccc2)c2ccccc2)cc1	1860491005	GWZXSISVKIRGBU-UHFFFAOYSA-N	413.262	5.860	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	1865672501	ANXGRPVTMWOQCW-QPEQYQDCSA-N	424.209	5.823	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865672595	HCDQEUXDHHOOSW-PDGQHHTCSA-N	421.850	5.535	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677017	REYVQCPAFTVNGE-SFQUDFHCSA-N	405.841	5.598	10	10	HKCE	
CCCCCn1cc(OCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871105434	IHFFAPHNKSHLFF-UHFFFAOYSA-N	419.569	6.183	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc(CNC2CC2)cc1Br	2096847837	BCMGNIZVMQCOOL-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
C[C@@H](O)c1ccc(N(C)[C@H](C)c2cscc2Br)cc1Br	2186631275	VTPREOCLPMDRBF-NXEZZACHSA-N	419.182	5.524	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1ccc(Br)cc1	2296397942	IJOWXCGSDGPMAS-UHFFFAOYSA-N	415.337	5.336	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	2297356844	POBHQSFBMUODMJ-UHFFFAOYSA-N	422.487	5.569	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1OC	2332124226	GEFFEMXSMPOFRX-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CCCC1=NN(CC)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1	2332131581	IVQXWCCFSSLQBT-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccccc2Cl)N=C1c1ccccc1	2332132997	QFUSEDFMTJDPMC-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
Cc1ccc(CN[C@H](C)c2sccc2Br)c(O)c1Br	2352944792	MOVARAAGXCWOCH-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccccc1	6061144	IOXICOOQLJCBHG-RCCKNPSSSA-N	403.528	5.880	10	10	HKCE	
CCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1	6877993	GJRSBEPPFMSBHC-GOSISDBHSA-N	402.538	5.239	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468001	APSFNPYPWDBLJJ-VFCRVFHLSA-N	417.336	6.264	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549530	XXRUIGZJVJWOPY-IBGGVINMSA-N	418.540	6.569	10	10	HKCE	
COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN23)ccc1O	20070753	SKXNYHUOXSATSX-JPYJTQIMSA-N	422.868	5.002	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)cc2)[C@H]2CC=C[C@@H]32)CC1	20699668	WSEDJNUBHVGRLB-ZRCGQRJVSA-N	406.957	6.039	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O	53362845	OFSHJLQGXOUZSR-RDGATRHJSA-N	420.940	5.975	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2C1	386531955	ZULPZAZTGAHNEJ-UHFFFAOYSA-N	409.313	5.562	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1858590093	WVXAFGVOORMZFS-JTQGQCHUSA-N	414.365	5.368	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865673726	UESSUYHRKOXCQM-LTGZKZEYSA-N	409.961	5.768	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676941	SQLOSFZFKPNJBK-YZSQISJMSA-N	424.544	6.074	10	10	HKCE	
CCOC(=O)c1c(NC(=O)[C@H](C)CC)sc(C)c1-c1ccc(Br)cc1	1865961390	AWJNWRBRKDOCFY-LLVKDONJSA-N	424.360	5.647	10	10	HKCE	
Cc1ccc(C(C)C)c(OCc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c1	1872842337	FAIMFJNEONSBRV-UHFFFAOYSA-N	402.538	6.016	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2cccc(CSc3nc4ccccc4s3)c2)c1	1872887649	GAVPALIRDMLWOK-UHFFFAOYSA-N	419.575	5.907	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2Br)cc1C	2079952541	JSEWJNDDSUNLPM-GOSISDBHSA-N	421.335	5.179	10	10	HKCE	
CCOC(=O)c1ccc(C=C2C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1	2297452807	RGOGOLORKZTVFE-UHFFFAOYSA-N	409.485	5.643	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(F)ccc3F)C2=O)cc1	2321757931	CJZHKYMHARSFCR-UHFFFAOYSA-N	404.507	5.217	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccco1	2323702107	JPUXRIZNRLWZCR-UHFFFAOYSA-N	407.516	5.260	10	10	HKCE	
CC=CC=CC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC	2327272688	HGWOUXFLHITSMZ-UHFFFAOYSA-N	420.328	5.343	10	10	HKCE	
COC(=O)c1c(NC(=O)C=C(C)c2cccnc2)sc(C)c1-c1ccc(C)c(C)c1	2330139929	UPDUWROOYDBYBI-UHFFFAOYSA-N	420.534	5.564	10	10	HKCE	
CCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116366	GLHJUDMUXIHTLW-UHFFFAOYSA-N	414.480	5.597	10	10	HKCE	
Cc1ccc(CN[C@@H](C)c2sccc2Br)c(O)c1Br	2352944793	MOVARAAGXCWOCH-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
O=C(NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	14004211	SQFFJLAITACXOS-WCWDXBQESA-N	405.439	5.137	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458153	KMVMOLSYJMJQBN-QHWMMSMNSA-N	414.593	6.455	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	14473119	BFKIUSOJABUHBV-NVAPDCRFSA-N	411.889	5.213	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2	14474839	YCAQREFMVHDENP-LGVUCKNBSA-N	410.517	5.790	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475587	IRYTUMOSWNZBML-PLXFJCCSSA-N	412.533	5.433	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21	14547015	NGKJMTLLGWFGTD-HECSKWOVSA-N	416.348	6.378	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	19888548	PDVXXLUOGCQMHN-RNHFSVANSA-N	416.351	8.126	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1	83333342	PKEVCXRJCOXSCD-STZFKDTASA-N	409.555	5.256	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	103038649	SJQDWIZSAGBHJK-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CC[C@H](Nc1ccc(OC)c(Br)c1)c1cc(Br)ccc1O	115933666	RNQVYNYKENADSS-AWEZNQCLSA-N	415.125	5.489	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899669	JBBCXSYCLCKWFE-MIHVYDCKSA-N	405.541	7.608	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	1860076500	DZTYGCZDUCAIGQ-RQZCQDPDSA-N	424.374	6.186	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2cc(C)c(Cl)cc2OC)C1=O	1860083925	FTFJHMDWMHJLHH-RQZCQDPDSA-N	405.928	5.071	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	1865669355	JWVLNORDXYXMEP-JWGURIENSA-N	416.908	5.569	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865673113	RTBYNBLEXOXMBI-PDGQHHTCSA-N	405.379	5.670	10	10	HKCE	
COC(=O)c1c(NC(=O)COc2ccc(C)cc2C)sc(C)c1-c1ccc(C)cc1	1865873684	SJLIEKALVUIBSA-UHFFFAOYSA-N	423.534	5.453	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cccc(Cl)c4)ccc3[nH]2)cc1	1872735763	KJIHRBZFWJNNFA-UHFFFAOYSA-N	418.928	5.982	10	10	HKCE	
CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)c1ccc(N2CCCCC2)cc1	1977936808	WALNSICVBZFRAK-QHCPKHFHSA-N	410.558	5.148	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)c(OCC)c1	2293582753	RCTMBKJJYVESQE-UHFFFAOYSA-N	403.500	5.029	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321609632	DHQCZWZDBSONMT-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc2ccccc12	2332099900	PHIWZLIHTBHRRN-UHFFFAOYSA-N	409.316	6.733	10	10	HKCE	
CC[C@H](Nc1cc(O)ccc1Br)c1cc(Br)ccc1O	2370416028	DZRPCDVYFZWQOM-ZDUSSCGKSA-N	401.098	5.186	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1	2331626	UVIWAPPZIBDHHG-FZSIALSZSA-N	405.331	5.881	10	10	HKCE	
CCOc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2C)cc1C	6439812	SFCSVWUXCUGLFH-XOXGWFOHSA-N	408.505	8.686	10	10	HKCE	
Cc1cc(C)c(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1	6738031	GRUDBSASAPHYEP-UHFFFAOYSA-N	423.516	6.308	10	10	HKCE	
O=C(Cc1cccc2ccccc12)NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1	14004269	NEGUGNVBBDZUFZ-ZQHSETAFSA-N	424.529	6.311	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2	14458486	ORUGAZWKJBKIKU-SLSDLSHTSA-N	424.610	5.632	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478811	SYPBPWPUKYHNHS-ZEVJAHDQSA-N	408.545	6.094	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc1OC	14479331	DXDDPOLUNLBEBR-CRTZDJKQSA-N	410.728	6.491	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C\c2ccc(SC3CCCCC3)o2)C1=O	33247981	QYSBPWNJJDPGPG-WBFOAEISSA-N	424.522	5.768	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2\Sc3ccc(-c4ccccc4)cc3N2C)SC1=S	33927473	VMLHOBQOQQSXSZ-ZAORYEFMSA-N	410.589	5.501	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@@H]21	226909056	BHWOZERBODOCAE-OIMWQHCXSA-N	416.348	6.378	10	10	HKCE	
Cc1ccc(N=Nc2cc(C)ccc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1	251264431	HZCRZMMCVPKANL-UHFFFAOYSA-N	404.514	5.306	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccc(Br)c2O)c1	385456116	QWURBOBLHFXONI-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084595579	SPBDJEYQVNRCGI-JROSLQERSA-N	404.470	5.768	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858588713	UUTXHYAWKPCTNY-WTTUOHCKSA-N	422.959	5.274	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1O	1865664130	BGAGIMUAANFALC-JWGURIENSA-N	420.468	5.389	10	10	HKCE	
Cc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1	1865666012	YPNCCMGSQGPJDS-UYRXBGFRSA-N	407.300	6.136	10	10	HKCE	
CCCOc1c(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2CC)cccc1OC	1865668915	WSKSWJNSWOXLOT-XMHGGMMESA-N	412.917	5.329	10	10	HKCE	
Cc1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(-c2ccccc2)s1	1871279090	GILZDXHHPVHYEV-UHFFFAOYSA-N	424.481	5.146	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CCC(C)(C)O)Cc2ccccc2)cc1Br	1915776133	FRDDSAKVIOWSCY-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
Fc1ccc(COc2ccc(C3CCCCC3)cc2/N=N/c2ccccc2)c(Cl)c1	2295356233	VLUWHCCDEYSLJK-ZQHSETAFSA-N	422.931	8.521	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1Cl	2296441800	REKKZSRVXIAXCM-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
CC[C@@H](C)c1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O	2297335377	ASLFECDDMLBLEM-OAHLLOKOSA-N	413.564	5.147	10	10	HKCE	
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccccc1	2297449923	IOXICOOQLJCBHG-UHFFFAOYSA-N	403.528	5.880	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1OCC	2321733943	KWRKFSHTPMUBEM-UHFFFAOYSA-N	424.547	5.371	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C)cc1OCC	2332113869	RQOZPOWRYUKHPM-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)c1	2332119283	WGIYERFNXVGASN-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O	14459937	XWVGXUCYXGCCLN-ISJBWFOZSA-N	413.517	5.849	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463279	BDWIUPAFSPORMH-DURBRWELSA-N	423.600	7.648	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21)N1CCOCC1	14464138	GIVWNWMSUYFBKX-XTJBDQBJSA-N	410.517	5.139	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467661	ZWZGCHSDCJKPGL-HYFFOGBASA-N	418.364	6.950	10	10	HKCE	
O=C1S/C(=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)C(=S)N1Cc1ccccc1	35516476	QMQUARLGQJZETE-YVLHZVERSA-N	422.491	5.022	10	10	HKCE	
O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=S)o2)cc1	35517353	PXVGEVJIGCFKID-PDGQHHTCSA-N	407.472	5.687	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(/N=N/c3ccccc3)cc2)ncnc1Nc1ccccn1	40645857	FUFYTNJOGFRNOH-BYYHNAKLSA-N	412.413	5.682	10	10	HKCE	
COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3O)N2)cc1	53363492	WZROKTLVDKWJCX-JTHBVZDNSA-N	420.896	5.055	10	10	HKCE	
CC[C@H]1CCCCN1/C=C1\SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	59397543	NAQCTZJNQDMRDR-RWZYYMRUSA-N	423.607	5.901	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226777665	GBBNSXIQMYGZBA-SLSDLSHTSA-N	410.517	5.452	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc(C)n1	299785954	OUDFXIBYFDBHJA-DEOSSOPVSA-N	420.578	5.959	10	10	HKCE	
COc1cccc(-c2nc(-c3ccc(CSCc4ccc(N)cc4)cc3)cs2)c1	1857850228	BERUCYSGJWPXNT-UHFFFAOYSA-N	418.587	6.501	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(C2CCCCCCCCCCC2)C1=O	1858587660	SLIHUEFTBIMMJD-HEHNFIMWSA-N	401.641	6.870	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c1	1860084833	OYMLFPMIGYNEGX-LZYBPNLTSA-N	408.331	5.602	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865665733	IXDLJFSIXUGGOJ-MLPAPPSSSA-N	419.617	5.995	10	10	HKCE	
Cc1cccc2c(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c3c(nc12)CCCC3	1866275484	NXYKPWQUBVETSS-UHFFFAOYSA-N	421.544	5.847	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1Cl	2079051598	HWPJTBIZHBQDMV-OAHLLOKOSA-N	400.853	5.300	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2080004305	YOLPWLISDCXKJO-SFHVURJKSA-N	402.922	5.087	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(Br)c1	2095950224	SVSPAAZVTMJWDA-MSOLQXFVSA-N	417.435	6.561	10	10	HKCE	
CCOc1ccc(Cl)cc1C=C1SC(=S)N(c2c(C)cccc2C)C1=O	2293792130	SLMJYJGUTGWTRC-UHFFFAOYSA-N	403.956	5.761	10	10	HKCE	
CN(C)c1ccc(C=C2C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	2294259211	SOMGBKDKVKQBFH-UHFFFAOYSA-N	404.691	5.150	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)cc1Cl	2321609674	GDVIGAAQKCUVPB-UHFFFAOYSA-N	419.955	5.542	10	10	HKCE	
Cc1ccc(N2N=C(C(F)(F)F)C(=Cc3cccc(Br)c3)C2=O)cc1	2332098018	PBEWGGGUAWBEII-UHFFFAOYSA-N	409.205	5.106	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1O	14457032	QWERFDSPUVETHZ-XLNZFTOWSA-N	412.489	5.480	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460340	SKHSBYGHYAVSTG-WFXMLNOXSA-N	416.974	5.243	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460652	FVIZUQMJBXIGFP-DPLHUUCSSA-N	408.973	6.429	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccccc1	14465728	WHQKUPZUXJQWNG-RQTOMXEWSA-N	414.936	6.443	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14466997	YIQWBVSBAAGPPJ-IEGUWTFLSA-N	423.343	7.269	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C)N2)c1ccccc1	226887631	MADRRKGBQRSKAN-ONBPZOJHSA-N	408.545	6.488	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226887925	IHXLCIIIZWCPTE-SLSDLSHTSA-N	422.594	5.386	10	10	HKCE	
O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(N=Nc2ccccc2)cc1	254589624	LNNACELZOAWTTO-RUZDIDTESA-N	404.473	6.873	10	10	HKCE	
CC[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCCN1C(=O)OC(C)(C)C	383596743	TVZUQPQYNIADSU-HXUWFJFHSA-N	417.377	5.358	10	10	HKCE	
Cc1ccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	1081112840	RUGCJBFYZYNVOG-NVNXTCNLSA-N	408.331	5.343	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)c1	1860087851	WPRWOUWHFVNBKU-OVCLIPMQSA-N	411.426	5.005	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2c(F)cccc2Cl)cc1	1865664175	DOSVYQAIQPFXEQ-XMHGGMMESA-N	406.844	5.322	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OCC	1865665474	VQXSXJXJPAZJJT-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
FC(F)(F)c1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1CNC1CCC1	2217123327	WGGQNKKNYKIUBH-UHFFFAOYSA-N	424.510	6.554	10	10	HKCE	
CN(CC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C)C(=O)OC(C)(C)C	2296045294	KUIJITVSFKEDCK-INIZCTEOSA-N	419.393	5.460	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	2297463193	OGUDQEBKDAPSHE-UHFFFAOYSA-N	423.517	5.043	10	10	HKCE	
CC(Nc1cc([N+](=O)[O-])ccc1C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313682326	ABHSYVXGOZMKRA-UHFFFAOYSA-N	412.449	5.040	10	10	HKCE	
CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2321585728	SYPNLYSPQZJKIV-UHFFFAOYSA-N	408.331	5.602	10	10	HKCE	
COc1ccccc1N1CCN(N=Nc2ccc(OCc3ccccc3)cc2)CC1	2330221633	YXHNBLKPWRYAJB-UHFFFAOYSA-N	402.498	5.095	10	10	HKCE	
Cc1ccc(CNc2ccc(F)c(Br)c2F)c(O)c1Br	2380810369	GILRVEGMZJGLJL-UHFFFAOYSA-N	407.052	5.116	10	10	HKCE	
CN(Cc1ccccc1)c1ccc([C@@H](Cc2ccccc2)n2nnc3ccccc32)cc1	5328805	BZDFAJCRKRFLDA-MUUNZHRXSA-N	418.544	5.900	10	10	HKCE	
COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	9228586	FTLUSOTVBQJIMB-UHFFFAOYSA-N	413.905	5.086	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1	14460521	NBFUNIYHMGJABX-FXSPECFOSA-N	417.936	6.624	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2)c1ccccc1	14474809	ADNVWXUEJWCVGM-IPVFLDMMSA-N	410.517	5.885	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@H]2C=CC[C@@H]21	14478470	KLHIASGVBZGOBM-HWBMXIPRSA-N	422.594	5.433	10	10	HKCE	
Cc1cc(Br)c(NCc2cc(Cl)ccc2O)c(Br)c1	20487286	AXGCLCSDGXBGPS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
COc1ccc(N[C@@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)cc1OC	54621753	ODAMKVCTKAWBMU-QHCPKHFHSA-N	400.478	5.468	10	10	HKCE	
CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(Cl)cc1	59462625	JQKGGTQBBDOBKQ-XMMPIXPASA-N	418.928	5.334	10	10	HKCE	
CCCOc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1	526290525	ZAEGNEBNICUQLQ-NRFANRHFSA-N	423.490	5.005	10	10	HKCE	
CC(C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	1084545967	ZGAWHKPEFNVKOL-UHFFFAOYSA-N	421.522	5.682	10	10	HKCE	
Cc1cc(I)ccc1NN=NCc1cccc(C(F)(F)F)c1	1860495603	IWHFSUPJWIFMCS-UHFFFAOYSA-N	419.188	5.598	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1OC	1865673195	VMYUCMCADWVRLP-RVDMUPIBSA-N	419.308	5.202	10	10	HKCE	
Cc1sc(NS(=O)(=O)c2cccc(F)c2)nc1-c1ccc(-c2ccccc2)cc1	1892117086	URQUMQHFGWTQRU-UHFFFAOYSA-N	424.522	5.725	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccco2)c(Br)c1	1915118481	CWKBTOSANMIIQR-UHFFFAOYSA-N	413.359	5.747	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CCC3)c(N)c2Br)C2(C)CC2)cc1C	2080000338	SNZJIIMNGQYQPF-SFHVURJKSA-N	404.352	5.207	10	10	HKCE	
CC(C)c1ccc(C=C2C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	2297469070	ORNPYRJRWHXRPW-UHFFFAOYSA-N	422.941	5.325	10	10	HKCE	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccccn1	2323766662	DDXCLPHLYXHHPL-UHFFFAOYSA-N	418.543	5.062	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332144917	YYDWPJHHDYIQOW-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1	13636231	JIIUXHZJZLTCMQ-HWBMXIPRSA-N	402.538	5.394	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457566	LHEPLQWUIOJSOG-ZYLNGJIFSA-N	412.489	5.480	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14475348	AEULOSWULRQMDK-DPZBCOQUSA-N	422.572	6.683	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476193	OPEFMRNBATXFQU-YGKZAACZSA-N	407.470	5.112	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1	14552540	BLWHSGNQOPKWJW-ZEVJAHDQSA-N	410.517	6.082	10	10	HKCE	
C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	205958217	ABHSYVXGOZMKRA-OQKWZONESA-N	412.449	5.040	10	10	HKCE	
CCOC(=O)c1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	206296332	ZVTBAWURIHCGLO-XSFVSMFZSA-N	419.527	5.422	10	10	HKCE	
COc1ccc(C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1	526493358	ILPJTZNADSJLIM-XMMPIXPASA-N	414.505	5.127	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(C)cc2)cc1	1865666014	YRDJZABSYFXRLS-PXLXIMEGSA-N	402.881	5.492	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C2(CO)CCC2)c(Br)c1	1915759255	BRJUTQWLNHOOBS-QGZVFWFLSA-N	417.391	5.041	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1cccc(Br)c1	2053497039	UIMOYXHAVRPBAF-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
O=C1C(=Cc2cccc(Br)c2)SC(=S)N1c1ccc(Cl)cc1	2293544012	MBLCCNRZQKALMA-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	2313610150	SOONQQGWPOBFQP-UHFFFAOYSA-N	419.955	5.543	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1Cl	2313682257	YORPNXSGSAANFB-UHFFFAOYSA-N	410.930	5.839	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	2321753935	HYGPCKCLJBXURS-UHFFFAOYSA-N	423.481	5.898	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1CCc1ccc(F)cc1	2323858619	UBWLMOUULITJCN-UHFFFAOYSA-N	411.445	5.288	10	10	HKCE	
CCCOc1ccccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330217376	WRPNFVSEVVBSNV-UHFFFAOYSA-N	414.553	5.881	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2cc(C)ccc2C)N=C1C(F)(F)F	2332133230	PJGKUVVOMLKAFI-UHFFFAOYSA-N	416.443	5.436	10	10	HKCE	
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccc(Cl)c(Cl)c1	1193266	OKXYMEQIBMLSFW-APSNUPSMSA-N	424.330	5.124	10	10	HKCE	
CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2O)N1	4730048	BOCQBTDETHRKSO-UYAOXDASSA-N	421.766	5.704	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459200	PIBJICWAZQDVHB-XLNZFTOWSA-N	418.537	5.244	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O	14460137	BTTJUSQJPKLQPJ-AXHZCLLHSA-N	412.489	5.480	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2cccc(Cl)c2)[C@@H]2CC=C[C@H]32)CC1	14460454	JWAJSKNXCFUJGA-MIZPHKNDSA-N	406.957	6.039	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	20764792	MBOOVQLMKIVTJS-ISKFKSNPSA-N	408.904	5.970	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(/C=C1/SC(=S)N([C@@H](C)c3ccccc3)C1=O)=C2	33514439	RPWSZHUHRSTSGH-PCPHIPEDSA-N	423.559	5.365	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362911	UELUDUHRLBGDFP-VWNXMTODSA-N	422.912	5.285	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3C)C(=O)/C2=C/c2c[nH]c3ccccc23)cc1	97499181	JGZILYFFRVQQML-PXLXIMEGSA-N	407.473	5.319	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2ccccc2Br)c(Br)c1	110359335	NUZNCXRYTJBKSE-LBPRGKRZSA-N	412.169	5.128	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226705348	LFFRELXJVASXJQ-JLHGSKIFSA-N	414.343	6.016	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1cc(Br)ccc1O	385131223	VWNDFUHNAOYUCF-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C)cc2)cc1	526397617	AJOHLINDIATGIF-QHCPKHFHSA-N	418.562	5.960	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc3nc(-c4cccc5ccccc45)[nH]c3c2)c1	1859442712	CVEDJMJSGGDTGU-UHFFFAOYSA-N	406.489	5.701	10	10	HKCE	
CCCCc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	1860482338	PLWQFIAGHFCEFT-ZQHSETAFSA-N	412.581	6.435	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673763	VXNZKYMNOSVPDO-GZTJUZNOSA-N	419.269	5.309	10	10	HKCE	
Cc1cc(Br)c(F)c(NCc2cc(Cl)cc(Br)c2O)c1	2145595039	LGSBHXASXFEGDT-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2231471917	MHTPALJFBIAQTF-OALUTQOASA-N	417.435	6.388	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S	2293547194	BSRVTBNXOZZSHE-GFCCVEGCSA-N	404.354	5.412	10	10	HKCE	
Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1CCc1ccccc1	2297363459	XJYOHVVRGYEXBA-UHFFFAOYSA-N	405.501	5.599	10	10	HKCE	
COc1ccc(N2C(=O)C(=Cc3c(C)cn(-c4ccccc4)c3C)SC2=S)cc1	2297708925	FMOSXAPEUBHLRB-UHFFFAOYSA-N	420.559	5.509	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	2321629366	NAOLNBFFUKIKRV-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(N=NN(Cc2ccccc2)Cc2ccccc2)c1	2330194077	ULBNDOHXSLPSAJ-UHFFFAOYSA-N	403.835	7.060	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(OCC)cc1	2332122236	IIGQQEBQJFTHRQ-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332140069	YKUOZENSHHLFEG-UHFFFAOYSA-N	419.308	5.290	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	12412780	ZMKDOSCDTFXBMX-PDGQHHTCSA-N	407.813	5.314	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1	14477708	BMDDTCIDAIGVJM-DDOIHHOZSA-N	416.348	6.378	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1	20718086	YUIILSZECHYCFA-PLXFJCCSSA-N	416.565	5.784	10	10	HKCE	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C	27529364	BSIFFIRBMWQORS-WCWDXBQESA-N	419.397	5.788	10	10	HKCE	
CC[C@H](Nc1c(F)cc(F)cc1Br)c1cc(Br)ccc1O	37392733	NWKIGJHYLSXBGM-ZDUSSCGKSA-N	421.079	5.759	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3nc(C)c(Cl)cc3Cl)c3ccccc3)c(O)c2n1	54200376	RVDVDQVUVWTLIR-HXUWFJFHSA-N	424.331	6.461	10	10	HKCE	
CC[C@@H](Nc1c(C)cc(Br)cc1C)c1cc(Br)ccc1O	109903437	QRCQNQICWAOFQT-OAHLLOKOSA-N	413.153	6.097	10	10	HKCE	
Cc1cc(Br)c(N[C@H](C)c2cc(F)ccc2O)c(Br)c1	125858430	LKTFRDHGVWHKSG-SECBINFHSA-N	403.089	5.538	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2	226654769	YXXNFSZDPWHJLW-NMMYMHLASA-N	410.583	5.127	10	10	HKCE	
Cc1ccc2c(c1)nc1c(C#N)c(C)cc(Nc3ccc(N=Nc4ccccc4)cc3)n12	254614955	JIGLIVPWYNYHRV-UHFFFAOYSA-N	416.488	7.135	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(N3CCC(C)CC3)cc2)C1=O	1860085372	HHDFIGDUGMLCER-RCCKNPSSSA-N	424.591	5.337	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1	1860085791	JHDOHGTWJNVWPU-LDADJPATSA-N	419.955	5.630	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(c2ccc(OCc3ccccc3)cc2)C1=O	1860086316	XZQAYNNBMMVIFB-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1	1860087581	HTLGOXGQXQWBLV-OQLLNIDSSA-N	422.394	5.577	10	10	HKCE	
FC(F)(F)c1ccc(Cl)c(/N=N/N(Cc2ccccc2)Cc2ccccc2)c1	1860484012	ULBNDOHXSLPSAJ-CYYJNZCTSA-N	403.835	7.060	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CCO)cc1Br	1915410052	KQDNUQQGVLVMQP-MSOLQXFVSA-N	419.407	5.287	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2323850914	XFLXOPWJPFDDNE-ZDUSSCGKSA-N	402.412	6.554	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)ccc1OC	2332114799	RBQBUFHKDMMICH-UHFFFAOYSA-N	419.308	5.597	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)c1	2332119179	KXNUVFNOSOPVCY-UHFFFAOYSA-N	408.807	5.477	10	10	HKCE	
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)C1	6781987	IDRUJYAFCPWVHI-SFTDATJTSA-N	412.577	6.141	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640677	OWFLNCQFUNDERZ-MDOVXXIYSA-N	416.315	5.301	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14455976	VUHRDWAXUASMPY-QMHWCDLVSA-N	406.595	6.288	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2	14474837	YCAQREFMVHDENP-NOMHHCBYSA-N	410.517	5.790	10	10	HKCE	
Clc1cccc([C@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c1Cl	14477264	KMFNOGLLGAZPJC-YDGQEPMXSA-N	416.348	6.378	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2c[nH]c4ccccc24)[C@@H]2CC=C[C@H]32)CC1	14544933	LSMRAQVITBOAIN-OFUUFJSKSA-N	411.549	5.867	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1	20755641	SWXCUWASWHVZJF-OASJLCFRSA-N	413.517	5.980	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1	526148859	IMAIFQKBRTWHRT-QFIPXVFZSA-N	422.887	5.602	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860074988	CUQGYXVLAQBUHY-LNKIKWGQSA-N	402.274	5.677	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	1860085675	SLGKMJQKRJGUSV-GZTJUZNOSA-N	407.919	5.674	10	10	HKCE	
Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	1860087299	NVFIECYWXUJHQT-CXUHLZMHSA-N	420.353	5.177	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667420	VTWFPFBEALLCJV-RCCKNPSSSA-N	402.469	5.569	10	10	HKCE	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2ccc(Cl)cc2s1	1866264249	PMGNWSGBVCMZOW-UHFFFAOYSA-N	417.873	5.582	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1C1CC1	1901155541	BXZPDNGJFQCYCP-UHFFFAOYSA-N	400.566	5.507	10	10	HKCE	
Cc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl	2294002104	LSJYPAXOTKJBBQ-UHFFFAOYSA-N	408.910	5.988	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	2294498862	MYXAZPATCUNVKE-UHFFFAOYSA-N	424.330	5.124	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2318683815	IEACLIGPGQUQDK-UHFFFAOYSA-N	417.427	5.317	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccc(OC)cc23)SC1=S	2321569898	ACRQGLLHVSURPJ-UHFFFAOYSA-N	408.548	5.155	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1C	2321591123	HLQMBUNSIYVSLW-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1cccc(Br)c1	2332097966	JVZPVFYTKOMKCE-UHFFFAOYSA-N	417.734	5.684	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332140061	XHDNJQKVZNIXGQ-UHFFFAOYSA-N	412.917	5.253	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140364	ZJJHLQSXXOOYKF-UHFFFAOYSA-N	406.844	5.322	10	10	HKCE	
Cc1cccc(-n2c(C)cc(CNC(=O)Nc3ccc(Br)cc3)c2C)c1	9228760	IGECONJYBOCTEE-UHFFFAOYSA-N	412.331	5.487	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC	13641389	WJZMJLCLFDRZPH-FHAGJXEFSA-N	423.553	5.964	10	10	HKCE	
COc1cc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O	14459420	ATUWBUVGFPJWHW-WZOHSFFVSA-N	418.537	5.244	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463002	YQDFOYVXWRIPGC-HFMPRLQTSA-N	410.583	5.325	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	14471015	YHOVTCIWUWWTBL-MDOVXXIYSA-N	411.889	5.213	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	14549175	GXVDVFXPFIISKP-RLSLOFABSA-N	410.448	6.867	10	10	HKCE	
CCCCN1C(=O)/C(=C/C=C2\Sc3ccc4ccccc4c3N2C)SC1=S	33921809	KJORLTNDWDUGIJ-WHYMJUELSA-N	412.605	5.767	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]23)cc(Br)c1OC	59267058	OTACQGMJJDPBBO-FHSNZYRGSA-N	420.734	5.946	10	10	HKCE	
[N-]=[N+]=N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O	103619761	AFAXISKJXXPXIP-QHCPKHFHSA-N	423.476	5.029	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(O)cc2O)N3)c1	226816445	RSMGEHCTVAWPKN-RNHFSVANSA-N	412.489	5.485	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226857518	UPNJKNLWFMMHKR-CKNLXJGOSA-N	423.365	5.070	10	10	HKCE	
CCCCCN1CCN(c2ccc(N=Nc3cnc(OCCCC)nc3)cc2)CC1	1084309236	NOMNPEUTBMUPLV-UHFFFAOYSA-N	410.566	5.383	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CCc1ccc(F)cc1	1858591458	NNSWZYMSZVMDHR-XNTDXEJSSA-N	412.338	5.576	10	10	HKCE	
CSc1ccc(Cl)cc1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	1861849815	UFABOVZJEPUJEB-UHFFFAOYSA-N	421.905	5.019	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cccc(Br)c1	1865656784	RQPBEMPBMIGAPY-XMHGGMMESA-N	405.295	5.799	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	1865666704	SYCINSXKINVECN-ZSOIEALJSA-N	415.198	5.043	10	10	HKCE	
CC(C)c1c(C2CC2)nn(Cc2cc(Br)ccc2O)c1Br	2079714958	VAFUPXPSWMZYNS-UHFFFAOYSA-N	414.141	5.163	10	10	HKCE	
Cc1ccc(O)c([C@@H](C)NCc2scc(Br)c2Br)c1	2094178330	ZXWXKTYUDXOGSY-SECBINFHSA-N	405.155	5.138	10	10	HKCE	
CN[C@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N2CCCC2)cc1	2236172194	UDISTCXAKFKWJS-XMMPIXPASA-N	409.574	5.034	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2318683868	KBLAEKDUISBREN-PCODUJHASA-N	401.597	5.500	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)c1	2332099898	PGLJNOIORQXYOV-UHFFFAOYSA-N	422.572	6.431	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1CC	2332133165	KAQKYVNFYVRWST-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
COc1ccc(-n2c(-c3ccc(Cl)cc3)cc3c2CC(C)(C)CC3=O)c(OC)c1	4885062	MGMUOSGQDPJMJK-UHFFFAOYSA-N	409.913	5.970	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)s1	14456654	RGCLBNXLBLDDGH-QVNIBDNGSA-N	414.574	6.752	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	14551361	OCEDAURGKUSHRX-LGVFNWMJSA-N	410.583	5.324	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20686936	UPGBOXYWRSBAPH-GEBXHLAXSA-N	424.588	6.591	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)ccc1O	20693262	MSAZERKXGOKMHM-IECBHUPTSA-N	418.537	5.099	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1O	20694453	XWVGXUCYXGCCLN-IPVFLDMMSA-N	413.517	5.849	10	10	HKCE	
C[C@H](Nc1ccc(I)cc1Cl)c1ccc(N(C)C)cc1	37313727	GUXVXPHNWCBUQQ-NSHDSACASA-N	400.691	5.184	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(F)cc3)N2)c1O	53363377	OMVQSYOWILAEKX-WIOPSUGQSA-N	420.484	5.161	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc4ccccc24)N3)CC1	226712257	DXYMKVIGPICXLR-RGODFAACSA-N	422.572	6.538	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2	226714536	JVRVYKTUGMOZOW-QFZWGZQFSA-N	418.562	5.353	10	10	HKCE	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1N=Nc1ccc(Cl)cc1	575733005	YGVFZSCZNYZLID-SFHVURJKSA-N	409.902	5.647	10	10	HKCE	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	586479958	HLMLLTWRTUQCCR-ULYRPOKDSA-N	405.494	5.471	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	1865669530	OBQIXBYMAUNWHU-KQWNVCNZSA-N	416.908	5.569	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675292	ZBZSRYMHOAAFER-LGUFXXKBSA-N	423.560	6.218	10	10	HKCE	
COc1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)cc1Br	1865964283	BWXDRAGPJXILMW-UHFFFAOYSA-N	413.271	5.085	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(Br)c1	2113623655	POQFHIVQOSPZKI-IAGOWNOFSA-N	419.407	5.286	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1C	2297576838	HMDRCUHCWCRVGQ-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
COc1ccc(N(C)CN2C(=O)SC(=Cc3c(Cl)cccc3Cl)C2=O)cc1	2297617180	RAJHNYCFVVYUKX-UHFFFAOYSA-N	423.321	5.132	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	2313609448	IQDPALZGZNORLM-UHFFFAOYSA-N	418.543	5.845	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)c1	2321647164	JSIFEDLATLPQAU-UHFFFAOYSA-N	421.543	5.740	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1c(Cl)cccc1Cl	2332104367	WCZYRWVWFLVWFC-UHFFFAOYSA-N	407.728	6.229	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1	2332116675	OFKFXKUOPOZEGR-UHFFFAOYSA-N	408.517	5.977	10	10	HKCE	
CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(Br)cc1	2332147762	WDJMBBDZILJIHJ-UHFFFAOYSA-N	403.707	5.294	10	10	HKCE	
Cc1ccc(CN[C@@H]2CCc3sc(Br)cc32)c(O)c1Br	2380811446	LPKBIODAIMWGGF-LLVKDONJSA-N	417.166	5.064	10	10	HKCE	
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c1C	5748097	MDPSQBCHGVAOQN-MHZLTWQESA-N	411.501	5.447	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Cl)cc1	6452996	QFCAIQAFYRADHO-MDWZMJQESA-N	400.739	6.053	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCC(C)C)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641350	KCTICKCUDMQUAY-JXQFQVJHSA-N	409.526	5.574	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@H]21	14460956	GMUROBKPDRNKES-RVPKQNPDSA-N	411.126	6.288	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21)N1CCCC1	14477055	NGTWEQRHZHCACC-GXZWQRSESA-N	413.348	6.056	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14543898	RUOLFMJFAOIJEO-FXSPECFOSA-N	410.517	6.164	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	33446530	BOJUSYDLKTYPID-OVCLIPMQSA-N	412.388	6.121	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	33762898	HJTCNFGKGMZVDK-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1	40888314	ZNENCHQNZSAKNL-AQTBWJFISA-N	417.596	5.061	10	10	HKCE	
O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(C(F)(F)F)cc1Cl	59352884	MEPUGDWDPBWKAZ-UHFFFAOYSA-N	420.243	5.619	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C/C(Cl)=C\c3ccccc3)SC2=S)cc1	210165201	OVMFLRGXVDCBHS-YGPCBGHTSA-N	414.939	5.174	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226803539	OCEDAURGKUSHRX-ZFGGDYGUSA-N	410.583	5.324	10	10	HKCE	
O=C(/C=C/c1cccc(Oc2ccccc2)c1)Nc1ccc(N=Nc2ccccc2)cc1	254382624	GFHUQHJLXFXLKQ-LLVJTVFTSA-N	419.484	7.546	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O	1860087085	YKLZZKCAFPRVRS-VGOFMYFVSA-N	405.957	5.072	10	10	HKCE	
Cc1ccc(O)c(CNCCC(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c1	1860713504	DLSDGAYNHVTELD-UHFFFAOYSA-N	424.928	5.051	10	10	HKCE	
Cc1ccc(COc2ccc(/C=C3\C(=O)N(CC(C)C)N=C3C(F)(F)F)cc2)cc1	1865668828	RMVRNAIWOGRTRX-NDENLUEZSA-N	416.443	5.374	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)cc1	1865673819	YPWPJSAXKXOZGU-XDHOZWIPSA-N	416.352	5.641	10	10	HKCE	
CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1Br	2080011786	FUOPDQVPTCGRSW-CQSZACIVSA-N	423.351	5.052	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(N)c2Br)C2(C)CC2)cc1C	2080038439	RBMSKIGTLUQOHK-QGZVFWFLSA-N	406.368	5.237	10	10	HKCE	
CCOC(=O)C1=CSC(=C2C(=S)C(C)(C)Nc3c(OCC)cccc32)S1	2294606600	DNPGFNLFHFBFMT-UHFFFAOYSA-N	407.582	5.212	10	10	HKCE	
COc1ccccc1N1C(=O)C(=Cc2c(OC)ccc3ccccc23)SC1=S	2297561119	LRVAHMYZNBFURA-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
Cc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2ccccc2)C1=O	2314831690	PXBUZZGZPKBYOJ-UHFFFAOYSA-N	424.591	5.395	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3cc(Cl)ccc3C)C2=O)c1	2321601649	UQLRYSXFJFOZCI-UHFFFAOYSA-N	403.956	5.843	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1CCc1ccc(F)cc1	2323858520	GOFUXBQCLQXHEK-UHFFFAOYSA-N	411.445	5.288	10	10	HKCE	
CCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1	2332124569	QCMNYPFKOJBWCH-UHFFFAOYSA-N	406.526	5.230	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1c[nH]c(C)n1	12240424	HCXRALBOPLCSIT-JOCHJYFZSA-N	409.555	5.287	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457917	WMZORVUJNJSVLY-RQNQAMLKSA-N	400.566	6.064	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14463477	IYBANCMXTKUADX-XFAFFCHDSA-N	414.593	6.653	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCC1	14470903	FOWVGAXGMRCUHO-QYWGDWMGSA-N	423.900	5.311	10	10	HKCE	
C[C@@H](NC(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21)c1ccccc1	14474271	LNXWNESPLKBGCX-OAWZGRKZSA-N	410.517	5.710	10	10	HKCE	
CCOCCOc1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14548223	NHNOMIVXQPRUTN-NYUJMHJJSA-N	401.506	5.787	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(C(=O)N3CCCC3)cc2[C@@H]2C=CC[C@H]21	20719523	OLLQDUWOZQUONA-VHFRWLAGSA-N	424.544	5.911	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2)N1CCCCCC1	226725725	XGGXAOCNXKAFPP-FKIGELJASA-N	422.572	6.683	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226876489	PZNXHXGZKLDVCA-UMFSSWHCSA-N	408.545	5.794	10	10	HKCE	
CC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(Br)cc1	1865680067	VTPAZWLCHKPDQL-NTEUORMPSA-N	407.670	5.043	10	10	HKCE	
CC[C@H](C)N1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873424478	OIZLYOSTHKZTMI-KRWDZBQOSA-N	413.521	5.085	10	10	HKCE	
CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S	2293370032	BANXDEFKYMWCSB-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1ccccc1Cl	2332107680	TYOOHOVSCGMSGN-UHFFFAOYSA-N	401.171	5.048	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1	2332119384	HXKVTNZKWQLINC-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2=Cc2cccnc2)cc1	2332128734	XWLBHAAYUXCLDI-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1CC	2332133097	BXBDVNASKCAZFD-UHFFFAOYSA-N	400.881	5.460	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1	3291628	AEDDOCNLXZUTLB-HAHDFKILSA-N	400.453	5.197	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1	4729449	DLTVNGKCSIWRRJ-TZIWHRDSSA-N	417.347	5.059	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc(Cl)c4[C@H]4C=CC[C@H]43)ccc21	13642748	ZOAFEALLCNOUAF-VKIDHGPPSA-N	412.964	7.603	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21	14547807	PSPKOIWPHPRLLE-SXDGJLEOSA-N	405.497	7.164	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCCc4ccccc4)ccc3N[C@H](c3c[nH]c4ccccc34)[C@H]2C1	20720598	LRHUKMGCRLVUCM-AQGBOPFGSA-N	420.556	7.006	10	10	HKCE	
COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NC4CC4)cc2)CCCCC3)c1	33114805	ZQOGHXRLENKFNF-UHFFFAOYSA-N	400.522	5.314	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccccc1	34798257	MFFVSODWZUJWCP-WQRHYEAKSA-N	415.898	6.145	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1cccc(F)c1	59379283	NTBWWOKIFPRNGA-VIZOYTHASA-N	413.326	5.403	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc(-c2ccc(OC)cc2)cs1	102965142	IYOUTSWJMMWHGS-HXUWFJFHSA-N	423.563	5.482	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1[nH]cnc1C	299758992	MMZAVLWXCWFZCB-HXUWFJFHSA-N	401.482	5.249	10	10	HKCE	
CN(Cc1cccc(NCc2cccc(Br)c2O)c1)C(=O)OC(C)(C)C	311310566	ZVVORZRZMXZEJV-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CC)c(Br)c1	387304602	ZCWFGXXRSMDCCJ-MSOLQXFVSA-N	403.408	6.315	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1O	1860086219	QYRXUKXROFUNOD-CPNJWEJPSA-N	407.516	5.350	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CCC)cc1	1865670099	IPPUCUMFGYCOQG-HAVVHWLPSA-N	408.517	5.977	10	10	HKCE	
CCNCc1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	1892553897	DTHYMFPVTQZJHW-QFIPXVFZSA-N	417.391	5.134	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H](C)c2cc(Br)cs2)cc1Br	2186589195	DGVMMOAWHOVMGF-NXEZZACHSA-N	418.198	5.490	10	10	HKCE	
Cc1sc(CNCc2cc(Br)cc(F)c2O)c(Br)c1C	2237667712	NBDVLTMQSPVLDX-UHFFFAOYSA-N	423.145	5.024	10	10	HKCE	
CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2296711396	WKCSXSAKDGFIIE-UHFFFAOYSA-N	405.548	5.149	10	10	HKCE	
CC(=O)Oc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2297366934	MEGFKNNNGYOOGK-UHFFFAOYSA-N	423.437	5.037	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCc1ccc(F)cc1	2313507586	VVAZAAFWRKOEOH-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2cccc3ccccc23)SC1=S	2321687304	GJPNHGBYUWDTNQ-UHFFFAOYSA-N	405.544	6.034	10	10	HKCE	
CCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)c1	2321718068	RLXVVQHJBWHRLO-UHFFFAOYSA-N	415.511	5.107	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccccc2C)cc1	2332149048	YVQXMTBRTPAIAO-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	5904779	LYPPBXYTSZOSCM-XQNSMLJCSA-N	419.521	5.476	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCc3cccc(Br)c3)cc1)CCCC2	9153311	WCWTYSCQTVSTMW-UHFFFAOYSA-N	423.354	5.357	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1	14458216	CORUKKWVRGLUDJ-OBTVHEKISA-N	408.545	6.691	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14466543	GAZPJJGDQIZVQR-LZCXECNNSA-N	415.964	7.178	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	14469687	LLJDMHPKUSZSEN-AWRGLXIESA-N	414.461	5.706	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549319	MPSGNYOKGAMJDF-MBEZDYHHSA-N	418.540	6.569	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549359	CYROTHFZIWPZTI-BOCWGRARSA-N	405.541	7.607	10	10	HKCE	
COC(=O)c1cccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54619932	PSUPAYQTTMGTFC-NRFANRHFSA-N	404.491	5.298	10	10	HKCE	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O	210692028	CLXNNHSWPGDFRO-OWFIVAKCSA-N	422.575	5.171	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1	226657564	CORUKKWVRGLUDJ-QSEAXJEQSA-N	408.545	6.691	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226908301	RMIIIRIHOODEPM-FXJWSJNKSA-N	422.355	7.399	10	10	HKCE	
CN1/C(=C/c2sc3cc(-c4ccccc4)ccc3[n+]2C)Sc2cc(Cl)ccc21	248090020	VAIRFAJGXCRRQP-UHFFFAOYSA-N	421.998	6.587	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccccc1Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O	1859917115	KXZFUSXKPJKQBN-HNNXBMFYSA-N	417.892	5.561	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1	1860085037	HYWQBTURXMBMSC-GXDHUFHOSA-N	404.538	5.360	10	10	HKCE	
CCN[C@@H](CCN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C	1999536600	MGIREXSXHWRESP-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
Cc1cc(C=C2C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@H]1COc2ccccc2O1	2040445111	ZYMOUWKZPLFJNE-SFHVURJKSA-N	420.896	5.091	10	10	HKCE	
COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080002357	WIYSVCBQBUMWBX-GOSISDBHSA-N	402.922	5.087	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)c(Br)c1	2297298780	XPIWUPFVJAKCBY-UHFFFAOYSA-N	417.306	5.592	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2c1	2321576600	CNAOPGVLESBWDA-UHFFFAOYSA-N	418.902	5.375	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1	2321685199	WWHGQSKYSDKBMQ-UHFFFAOYSA-N	424.591	5.481	10	10	HKCE	
COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)ccc1OC(C)C	2332125541	NDBBLUZDUZPYHH-UHFFFAOYSA-N	418.415	5.139	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2sccc2C)cc1	2332127515	FSCCXKACSZMZJC-UHFFFAOYSA-N	406.482	5.034	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21	14464025	OMNAGYWTTHIUHZ-CAKYRVLISA-N	422.572	6.729	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2	14476037	JKYMJCJIPZNQRN-XLNZFTOWSA-N	408.498	6.086	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549136	QTQCNKDVWXTWFP-VYKTZEHYSA-N	419.524	6.996	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53363527	OZLHEDSIVWQAMT-UKILVPOCSA-N	404.941	6.139	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226906936	JXXWIOYNNSLFEY-SWYRRKHMSA-N	416.351	8.126	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc([N+](=O)[O-])cc1	253570200	NHPIGCWGPQRFJS-KVPLUYHFSA-N	413.477	5.000	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC	1858589832	LVBWAVBMXQYOHA-ATBVVXCQSA-N	405.585	5.264	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676966	UJELHAVROWMBHT-ZVHZXABRSA-N	416.908	6.034	10	10	HKCE	
CC[C@H](C)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O	1873918686	XDOPYHUPVLLKRL-INIZCTEOSA-N	422.484	5.481	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccco2)c(Br)c1	1915118944	GYPDTLUWBICCCV-UHFFFAOYSA-N	413.359	5.749	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)c(Br)c1	1915456203	GMLANRNKQUSSQE-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3CC3)c(C(=O)O)c2Br)C(C)(C)C)cc1C	2079980052	YJSBSFILDLFXQJ-KRWDZBQOSA-N	421.335	5.179	10	10	HKCE	
Cc1c(Br)cccc1CNCc1cc(Cl)cc(Br)c1O	2143655904	ABILNLLIUKGMFM-UHFFFAOYSA-N	419.544	5.169	10	10	HKCE	
CC(C)(C)OC(=O)NCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1F	2145627468	ZSKXAONMDWGIBJ-UHFFFAOYSA-N	415.292	5.475	10	10	HKCE	
CC(C)CC1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1	2293500036	ICVYCSIMZMETLU-UHFFFAOYSA-N	412.902	5.265	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	2297561479	FIJJBXUIZXWPCO-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2C)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	2297625046	MFNVGHGHZHHMQK-UHFFFAOYSA-N	421.840	5.623	10	10	HKCE	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1	2314627707	YIGMUZNUYWURLL-RUZDIDTESA-N	420.597	5.271	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)ccc1Cl	2321647100	PMNIRZSOUMZWKL-UHFFFAOYSA-N	405.331	5.881	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC	2321698313	ZIEWGLSYPWQPDM-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1cccc(Cl)c1	2332104834	WMCVSPOEDLSYSF-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	2332116610	HKVRMLAKOYZHDK-UHFFFAOYSA-N	402.416	5.604	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134252	BIDXRWFJQWACJA-UHFFFAOYSA-N	404.253	5.488	10	10	HKCE	
CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332140030	UUWHPVPXKDRIRQ-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(C(F)(F)F)cc1	2332140670	AIGKXVBCVMNCBF-UHFFFAOYSA-N	410.798	5.690	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(OCC)c1	1136422	BTKHOKZGHQMYEG-VCHYOVAHSA-N	403.500	5.029	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(OCCCc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546313	ZZHMYGGIJGYHET-OREGWCPLSA-N	411.545	6.533	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@H]2C=CC[C@H]21	14547803	UDHISPNQVSUJBI-SXDGJLEOSA-N	404.513	7.116	10	10	HKCE	
O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1	33315467	PNERZDHCXUYCAR-UNOMPAQXSA-N	421.499	5.046	10	10	HKCE	
CCCC[C@H](CC)CN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S	34967801	XGKSSEYEUKNGGE-YIXMANLCSA-N	401.597	5.812	10	10	HKCE	
COC(=O)c1cccc(N[C@@H](c2cccs2)c2ccc3ccc(C)nc3c2O)c1	54619937	PSUPAYQTTMGTFC-OAQYLSRUSA-N	404.491	5.298	10	10	HKCE	
O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1CN1CCCCC1	59371847	PELFQTDRLMHJFJ-PXLXIMEGSA-N	418.587	5.638	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	250648266	NHHMHFVAOQMJHW-NXMSCROESA-N	414.461	5.706	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1	526473475	HZZMDOJJLPLUON-HSZRJFAPSA-N	418.562	5.995	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2F)C(c2ccccc2)=NN1c1cccc2ccccc12	1865673584	MSWDFDNTQOWMNM-JCMHNJIXSA-N	410.423	5.953	10	10	HKCE	
CC[C@H](N)Cc1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C	1946902459	FVKYWAQNQGQSBY-MHZLTWQESA-N	415.625	5.413	10	10	HKCE	
Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2Br)c(O)c1	2079031514	NAXAKQJHSBTCKO-INIZCTEOSA-N	421.335	5.045	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(Br)c1	2095944321	DXYTXVWGQZXTRR-SFHVURJKSA-N	417.435	6.388	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2095954155	PJLPVUDLUSBSGV-IBGZPJMESA-N	417.435	6.246	10	10	HKCE	
COc1cc(Cl)c(C)cc1N1C(=O)C(=Cc2ccc(F)c(C)c2)SC1=S	2321637596	UYBOTEAOJVBTEX-UHFFFAOYSA-N	407.919	5.510	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OCC	2332114033	LKYQGFSKLPPJGU-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)cc1	3065970	YYPNFTIUQOPVQD-UHFFFAOYSA-N	410.514	5.639	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14545327	XZCUDOSWRGYLPL-WZOHSFFVSA-N	410.517	6.164	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@H]2C=CC[C@@H]21	14545586	MNNVRGLKRFPTLE-RLSLOFABSA-N	416.565	5.784	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549078	PFIDHRBIAABDOG-IALVYGIMSA-N	418.540	6.802	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1	14550568	OTEAYUHANJMWNS-FBLLAGFSSA-N	402.538	5.394	10	10	HKCE	
Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21	16850787	FQFIFDBDVYHTNI-FOCLMDBBSA-N	405.501	5.301	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2	20695921	XQCDBINUBYEAEZ-AGKHESDQSA-N	405.223	5.029	10	10	HKCE	
COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1Br	33334249	XKOXGOMLRVOQFF-ZROIWOOFSA-N	419.706	5.226	10	10	HKCE	
O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	39983078	OHCKUHXEPDBSAH-PDGQHHTCSA-N	421.349	6.100	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226712665	YQDFOYVXWRIPGC-ZFGGDYGUSA-N	410.583	5.325	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2	226790712	BHKOAWWFDOGHLJ-TZBSWOFLSA-N	404.554	5.784	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226846940	RUGPGDAYVXBFRS-YVHKJVDXSA-N	404.337	6.235	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(Cl)ccc3C)C2=O)cc1OC	1860075053	GMAQSWBYZDGYCE-VCHYOVAHSA-N	419.955	5.462	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCC(C)CC4)cc3)C2=O)cc1	1860085430	KWRWBQLIGXMUGB-RCCKNPSSSA-N	408.592	5.637	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3OC)C2=O)cc1	1860086938	QFRWIBUIISEGDK-XSFVSMFZSA-N	412.580	5.256	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cccc(OC)c1OCC	1865669999	CFSSCRKUUMBKGC-HEHNFIMWSA-N	414.505	5.833	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(N(CC)CC)cc1	1865672566	GKNGSTIYERAJFR-NBVRZTHBSA-N	413.924	5.517	10	10	HKCE	
Cc1c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)sc2ccc(Cl)cc12	1891723446	GORJHWJVKFRBQE-UHFFFAOYSA-N	410.929	5.380	10	10	HKCE	
CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)C)c(Br)c1	1915217042	LOOARHRELLZWDZ-QFIPXVFZSA-N	419.407	5.115	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)CO)c(Br)c1	1915769648	HTJGFARLRHBCNM-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079977303	KHDCKIFXUOXAAF-LJQANCHMSA-N	402.922	5.303	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	2295149902	MZWNWJZHJSCACM-UHFFFAOYSA-N	420.852	5.413	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccccc4C(C)C)C3=O)c2c1	2321666854	SPIKWNSQFLCIPU-UHFFFAOYSA-N	408.548	5.706	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=NN1Cc1ccccc1	2332104861	YYEBYIBHICUSHP-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc1	2332114705	HUUZMNJWWHHSSN-UHFFFAOYSA-N	402.416	5.210	10	10	HKCE	
Cc1ccc(-c2nc3ccccc3o2)cc1NCc1cc(Cc2ccccc2)ccc1O	3013774	CPNKFVYTKCVGFT-UHFFFAOYSA-N	420.512	6.712	10	10	HKCE	
COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1	9610920	DHLOXBCDVOIBAM-UHFFFAOYSA-N	424.338	6.071	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(C)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642182	WGKJGYOSMKYXKL-IKSSWHGMSA-N	406.529	6.844	10	10	HKCE	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14472220	SUETYOAGRYBKEL-PPJWLVRDSA-N	418.537	6.771	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	34387304	AISFBAYOWBANSV-FRYOISGKSA-N	417.321	5.178	10	10	HKCE	
Cc1ccc(C(Br)(c2ccc(C)cc2)C2C(=O)c3ccccc3C2=O)cc1	105418830	ONXXGQFUANNEIU-UHFFFAOYSA-N	419.318	5.637	10	10	HKCE	
O=C(Cc1ccccc1)[C@@](/N=N/c1ccccc1)(C(=O)c1ccccc1)c1ccccc1	1615951643	VWNJSBRQTJTBMC-SADVANARSA-N	418.496	6.361	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1/N=N/c1cccc2c1OC(C)(C)C2	1616045713	GKLKSWASDFRXFG-LRDZBDLTSA-N	417.296	5.582	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860075468	WTDLPOOANOTQKE-VIZOYTHASA-N	414.766	6.361	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cc(Cl)ccc1Cl	1860085213	WFZOIKJZBPXINB-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc1	1860086294	WJTVRCRNIPDMLL-RCCKNPSSSA-N	408.592	5.816	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(CO)c2Br)cc1C	2079993671	VNTPZNFAUDNPFF-FQEVSTJZSA-N	419.363	5.117	10	10	HKCE	
O=C1SC(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1	2293520712	UHMOFVUAZMUJEP-UHFFFAOYSA-N	400.670	5.593	10	10	HKCE	
COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N(Cc3ccc(C)cc3)C1=O)=C2	2314450545	CGILGKSDVPMYMO-OAHLLOKOSA-N	423.559	5.112	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC	2323790811	LVBWAVBMXQYOHA-HOCLYGCPSA-N	405.585	5.264	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(F)cccc1Cl	2332100093	JYSJSWIEKUMELT-UHFFFAOYSA-N	411.691	6.372	10	10	HKCE	
CCN1N=C(C(F)(F)F)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	2332120887	RYPSPWIKZLIDMQ-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332129445	CIFKRUUQSGKKAE-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@H](C)CC)ccc21	3586163	ABGOXMAJLJCAEQ-HXUWFJFHSA-N	409.643	6.155	10	10	HKCE	
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14468094	DWLCVBIWVQVDOU-IQUTYRLHSA-N	403.309	5.275	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473551	RAALRZNKXGBNIZ-CKJXQJPGSA-N	411.889	5.215	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@H]2C=CC[C@@H]21	14545579	CTJIDYFZTJSCEX-ZYLNGJIFSA-N	416.565	5.928	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1	14552247	NWROXHYAIKXOSA-RQTOMXEWSA-N	418.606	6.107	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	20698834	DJHRQRPGPHPVNF-NLSXBWCTSA-N	424.544	5.575	10	10	HKCE	
COc1ccc(C)cc1N[C@@H](c1ccc(F)cc1)c1ccc2ccc(C)nc2c1O	54621635	WEBMJURBRISRFO-QHCPKHFHSA-N	402.469	5.906	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)NC)cccc4[C@@H]4C=CC[C@@H]43)ccc21	226687033	SVKQCPZMMDASIN-FXABVQRQSA-N	421.544	6.001	10	10	HKCE	
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	311309137	QONGVRLCTMBRQE-HOTGVXAUSA-N	403.350	5.015	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	1860086819	JNYMRUNWXVMFDW-CPNJWEJPSA-N	416.999	5.588	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(OC(F)(F)F)cc1	1860087741	QYPNDMQKDBLLMH-CXUHLZMHSA-N	420.437	5.472	10	10	HKCE	
O=C(CNCc1cc(Cl)ccc1O)Nc1cc(Cl)ccc1Oc1ccccc1	1860721175	LBHFFNAWPVDVLY-UHFFFAOYSA-N	417.292	5.220	10	10	HKCE	
CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	1865669297	HGHRIAWMFGATGE-BUVRLJJBSA-N	416.908	5.721	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CCC)cc1OC	1865671383	YIWCAPYIRNNOIL-LTGZKZEYSA-N	406.526	5.456	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	1865679782	GLDIOWFVVBKQHD-SFQUDFHCSA-N	403.707	5.689	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)c1	1872854972	ZGTQELGGVHAYLP-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(CN)c(Br)c1	1915365440	XSUGJZROUSACDU-OAHLLOKOSA-N	401.373	5.737	10	10	HKCE	
COCCCCN(Cc1ccccc1)c1ccc(CNC(C)C)cc1Br	2095868706	RUHOYFWUULHVAX-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O	2293391529	YTARBRUXNJBGPC-UHFFFAOYSA-N	412.319	5.113	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1	2314769527	ROTKMTMKBUVMAK-GOSISDBHSA-N	411.548	5.011	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2321664128	VVQCPAYYFQHKFI-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(F)cc2)sc(C)c1-c1cccs1	2326888203	HZHJNPFUESAVTA-UHFFFAOYSA-N	415.511	5.753	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl	2332129509	JXGZVKRBLNYNEZ-UHFFFAOYSA-N	418.724	5.101	10	10	HKCE	
CCCCCC[C@@H](C)Nc1ccc(Nc2ccccc2)cc1SCCC(=O)OC	5860308	ZLFIHRGOKFBJSC-LJQANCHMSA-N	414.615	6.856	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2)c1ccccc1	14458808	IGHAIAVPNKJPDE-OASJLCFRSA-N	408.545	6.488	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc4ccccc24)N3)CC1	14464536	DXYMKVIGPICXLR-CKOJHNACSA-N	422.572	6.538	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21	14467411	ZYAHZYHVASKGLP-KCWFYHRYSA-N	401.120	6.832	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2)c1ccccc1	14475629	BLPWFWIWFNVEFA-QQNWGBJXSA-N	416.524	6.919	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1O	20693735	SVKPGLDJNLQZFE-FHAGJXEFSA-N	412.489	5.480	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21)N1CCOCC1	20698815	GIVWNWMSUYFBKX-JLRUASKGSA-N	410.517	5.139	10	10	HKCE	
COc1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccccc2Cl)c1	34139255	JAPSPRXAQQQAIH-HMMYKYKNSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1cc(Br)ccc1Br	37121848	OKWINKBDELBMLE-IINYFYTJSA-N	411.137	5.886	10	10	HKCE	
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](c3ccc(Cl)cc3)N2)c1O	53362847	OFSHJLQGXOUZSR-DHLKQENFSA-N	420.940	5.975	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc13)N2)c1ccccc1	226861946	CXHOOXHXZYMGKG-DYRZZGSRSA-N	405.501	6.247	10	10	HKCE	
CCC[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCN1C(=O)OC(C)(C)C	380408390	STJSNSSJVLFMQC-FQEVSTJZSA-N	417.377	5.358	10	10	HKCE	
O=C1NC(=S)S/C1=C\c1cc(N=Nc2ccc(Cl)cc2Cl)ccc1O	1084495976	VAMGLYDFOCNIPE-JRVFXPOCSA-N	410.307	5.603	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)/C2=C/c2cccc(O)c2)cc1	1865654411	TXYCRCANQKIWKW-JJIBRWJFSA-N	420.468	5.389	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)cc1	1873522873	GLUYWJXWYYAGJW-UHFFFAOYSA-N	416.500	5.327	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1	1874709109	NOIVVWATFWVWMX-UHFFFAOYSA-N	406.835	6.327	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CN)c2Br)C2(C)CC2)cc1C	2079984519	JIIKWEYHRILBFR-LJQANCHMSA-N	418.379	5.084	10	10	HKCE	
Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2Br)cc1C	2080012451	PAQRESRZCYPXRS-SFHVURJKSA-N	421.379	5.147	10	10	HKCE	
CN(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332096536	SRAMCJXDYWAXGW-UHFFFAOYSA-N	401.897	5.241	10	10	HKCE	
CC(C)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	2332104013	HRBHFRSEMJVJLU-UHFFFAOYSA-N	406.835	5.808	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104821	VGXQWARRMLCUSZ-UHFFFAOYSA-N	401.337	6.192	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1C	3768826	GQYSBNVMEUFHLK-NVNXTCNLSA-N	410.347	5.722	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2)c1ccccc1	14456886	FJORPRRPSYHSKI-TYBLODHISA-N	414.574	6.550	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463037	MNRKWRVOAFZVJO-UEOMBKFZSA-N	416.565	5.545	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2	14475269	GTDULIMGCXUZDM-SLSDLSHTSA-N	418.562	5.353	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	14478451	GMOSRYPIVVYIBY-KHCICDEESA-N	411.461	5.674	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)Nc3ccc(C)c(C)c3)cccc2[C@H]2C=CC[C@@H]21	14546213	WMNSEUFSNRABMM-ISJBWFOZSA-N	424.544	6.391	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	20695858	IMPPOLCQKRFDTC-TYILLQQXSA-N	401.260	5.198	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1Cl	103310430	DEIJZVWFYRMEHC-ULMKDNCXSA-N	400.956	5.475	10	10	HKCE	
Fc1cccc(Nc2c3ccc(Cl)cc3nc3ccc(Br)cc23)c1	205952698	CBNIMSMXXLUCRG-UHFFFAOYSA-N	401.666	6.687	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	1083984711	IEHTZDWSOLKPKE-QQTULTPQSA-N	410.517	6.090	10	10	HKCE	
Cc1c(Cl)cccc1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	1860482256	DXFJCWKNUCRACT-CYYJNZCTSA-N	404.945	6.054	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O	1865671991	KBZKTEPVAKYIIB-LFIBNONCSA-N	419.706	5.394	10	10	HKCE	
CC[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O	2090028556	MATMSJNDQKATFL-QRWLVFNGSA-N	414.347	5.201	10	10	HKCE	
Cc1cc(Br)c(CN(C)c2ccc([C@@H](C)N)c(Br)c2)s1	2237723983	AXGRNBUTERKXLU-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=C(C)c3ccc(Cl)cc3)SC2=S)cc1	2314533258	PVVCPLPPEKFGIJ-UHFFFAOYSA-N	401.984	6.479	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1	2321613588	UIEFKQOHLKGLQI-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(Cc3ccncc3)cc2)C1=O	2321708999	LTVBUIGCBNWFFQ-UHFFFAOYSA-N	418.543	5.087	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)cc1	2321743494	TVZTYINCTUHAMB-UHFFFAOYSA-N	404.354	5.472	10	10	HKCE	
CCC1=NN(C)C(=O)C1=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	2332107026	HCHKKCHHYJQTCZ-UHFFFAOYSA-N	419.308	5.202	10	10	HKCE	
CC[C@H](Nc1ccc(Br)c(O)c1)c1cc(Br)ccc1O	2370432341	UOWFFOOHRDRBKR-ZDUSSCGKSA-N	401.098	5.186	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(O)c1	13640313	VLYIOAKHORVGNP-LZCXECNNSA-N	413.517	5.936	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(N(C)C)cc2)[C@@H]2CC=C[C@H]32)CC1	13644379	ABMUIXYJEWYBFJ-SGIRGMQISA-N	415.581	5.451	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1O	14457288	PCXPABKFQVDPGM-AXHZCLLHSA-N	418.537	5.099	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548310	VLFIQQLCORMUOH-UMEGOILYSA-N	412.533	5.900	10	10	HKCE	
Fc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	14549907	SYYSEHFWCVOANU-SGIRGMQISA-N	401.481	6.110	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@@H]21)c1ccccc1	20680301	OHXZXDNQUDFJJF-OTNCWRBYSA-N	410.517	5.885	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OC	33591168	OIUFZXVZKHYUTG-FYJGNVAPSA-N	421.543	5.653	10	10	HKCE	
CCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S	40562409	XEDHUHIROFPMNQ-CYVLTUHYSA-N	411.596	5.226	10	10	HKCE	
Cc1[nH]c2ccccc2c1/C=C1/SC(N2CCC(Cc3ccccc3)CC2)=NC1=O	208362028	JKWNDUUPRAMMLR-XQNSMLJCSA-N	415.562	5.401	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc(Cl)c4C)[C@@H]4C=CC[C@@H]43)ccc21	226635455	UNTZAXUCPOXNRN-JFLXGGRUSA-N	412.964	7.603	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226675641	ROJNRYBHCISAJD-ALTZYDRJSA-N	415.621	7.986	10	10	HKCE	
CN1C=C/C(=C\c2sc3ccc(Cl)cc3[n+]2C)c2cccc(C(F)(F)F)c21	247816737	GGLWBJGLLVUYMN-UHFFFAOYSA-N	407.868	5.902	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526231349	DMWBYZPIPGGPCW-DEOSSOPVSA-N	416.496	5.511	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3Cl)C2=O)c1	1860084102	DLXZWWHBNKMTRK-OVCLIPMQSA-N	413.873	6.073	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccc(C(C)C)cc3)C2=O)c1	1865664582	UJDPOBKRYSQTSM-ONUIUJJFSA-N	408.545	6.257	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc3ncsc23)sc(C)c1-c1ccc(C)cc1	1866043327	BVANMITYIKCKPZ-UHFFFAOYSA-N	422.531	5.681	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915439948	YMTXUHHFZTTWJY-QFBILLFUSA-N	417.391	5.304	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCN(C)C)Cc2ccccc2)c(Br)c1	2095860005	NITZFPMFMRBDJU-SFHVURJKSA-N	418.423	5.078	10	10	HKCE	
Cc1ccc(Br)cc1CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117995515	LLQPTFOIBHOKCG-UHFFFAOYSA-N	419.363	5.419	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2231454669	QADBTYHDUIJUIV-SFHVURJKSA-N	415.419	6.142	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(SC)cc1	2297314632	SRBVPCOHJYAVGW-UHFFFAOYSA-N	413.926	5.329	10	10	HKCE	
O=C1C(=CC=C(Br)c2ccccc2)SC(=S)N1Cc1ccccc1	2297351315	LRESSCJGHAHFMC-UHFFFAOYSA-N	416.365	5.367	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1cccc(OC(F)(F)F)c1	2321734101	BKEWOIYBGATQFJ-UHFFFAOYSA-N	415.845	5.644	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2	2323756753	YZNSJXZEAGDYCR-UHFFFAOYSA-N	424.330	5.124	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S	2323850869	SPEWCXGCIWUTKK-INIZCTEOSA-N	407.601	5.654	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc(OC)c2)sc(C)c1-c1ccc(C)cc1	2326823922	MKQJIOOSDOZZHZ-UHFFFAOYSA-N	421.518	5.479	10	10	HKCE	
CC(=C/c1cc(Cl)ccc1O)/C=C1/SC(=S)N(Cc2ccccc2)C1=O	1155763	BXWTZAIDGCXROD-LROCIMMESA-N	401.940	5.393	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1O	14459602	SGWWROFWMMKOMR-IXFSTUDKSA-N	412.489	5.480	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460627	DGIPOMBVNPBQQH-MRUHUIDDSA-N	401.337	6.559	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	14475590	SCDKSUFNBJZLCA-LUFNOOMBSA-N	424.544	5.575	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20756027	YZOBISMXQHPJEX-RQTOMXEWSA-N	402.538	5.538	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)s2)SC(=S)N1Cc1ccc(F)cc1	33314206	JASVWEDGNHMTCN-KPKJPENVSA-N	414.346	5.051	10	10	HKCE	
Cc1ccc(Nc2nc(C)c(C(=O)NCc3ccc(N4CCCC4)cc3)s2)c(C)c1	71326646	WTHQIPXUKWOBBC-UHFFFAOYSA-N	420.582	5.342	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1	253570199	NHPIGCWGPQRFJS-HNBVOPMISA-N	413.477	5.000	10	10	HKCE	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cc(Br)ccc1O	398049676	XAYHJQAEHGLHJK-ORYQWCPZSA-N	417.391	5.106	10	10	HKCE	
CC[C@@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1cc(Br)ccc1O	398124535	YIKMSUBHZHLZNM-IFMALSPDSA-N	417.391	5.250	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1	1858594297	SYFJGNPZPIVUBW-LNKKFFRNSA-N	408.592	5.033	10	10	HKCE	
CC[C@H](C)N(C(=O)c1ccc(F)cc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859911271	VSFGPRVIAVSESL-AWEZNQCLSA-N	419.427	5.186	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OCC	1865666400	JEZAXRDMHIHIHM-RELWKKBWSA-N	420.553	6.241	10	10	HKCE	
COC(=O)c1c(NC(=O)C2(c3ccccc3)CC2)sc(C)c1-c1ccc(C)cc1	1866232581	GEYAMNYLZQKXIT-UHFFFAOYSA-N	405.519	5.489	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2c(O)cccc2Br)c1	1925145851	QRTMLRIYTFZHHW-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	2294623660	OVGKXNVIPIRMAK-UHFFFAOYSA-N	420.962	5.731	10	10	HKCE	
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1	2296880164	UHNDJAXUINMSNA-UHFFFAOYSA-N	402.972	5.592	10	10	HKCE	
CCOc1ccc2ccccc2c1C=C1SC(=S)N(c2ccccc2OC)C1=O	2297561059	ICARISAYISSBBH-UHFFFAOYSA-N	421.543	5.653	10	10	HKCE	
CCOc1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313683399	ZAKSTYDRHRFVHY-UHFFFAOYSA-N	415.468	5.361	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)C(=Cc2c(C)nc3scc(C)n23)SC1=S	2321601575	DQMLQCMFWLVQSF-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	13642173	CRTFPBNLIYZITM-AHPZTNMXSA-N	408.545	7.040	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)ccc1O	14459211	MSAZERKXGOKMHM-GLDPYIMESA-N	418.537	5.099	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14462796	FUVXEWZPNGLINM-WRALFONMSA-N	422.594	5.421	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545188	DGEKQOGKENOJIF-DVBNTOJCSA-N	419.528	6.271	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551341	GOJSFPQXBUAQOR-SLSDLSHTSA-N	416.546	5.338	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552066	DKCVKOVTHIUXMF-HFMPRLQTSA-N	418.606	6.107	10	10	HKCE	
O=C(/C=C\c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O	33663880	MAVAPSCAANIDKJ-DTSIOAQHSA-N	402.881	5.437	10	10	HKCE	
O=C1/C(=C\C(Br)=C/c2ccccc2)SC(=S)N1c1ccccc1	103429745	MITHORDOJMFMMW-MHMBTURYSA-N	402.338	5.371	10	10	HKCE	
Cc1cc2c(n1-c1cc(Br)ccc1Br)CC(C)(C)C[C@H]2N	110040221	RIUHKKXPWJKNQG-CQSZACIVSA-N	412.169	5.283	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCC)cc1)N2	226859323	OIHLEHHHXFHCFX-PMAPCBKXSA-N	410.945	6.304	10	10	HKCE	
CN(Cc1cccc(NCc2cc(Br)ccc2O)c1)C(=O)OC(C)(C)C	387790833	WSLKSSIKOBAZAY-UHFFFAOYSA-N	421.335	5.134	10	10	HKCE	
CCc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1	526233707	LVKGFSZATGDRPY-HSZRJFAPSA-N	401.462	5.026	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1Cl	1860075387	SLTSBOVCZKUPSX-VCHYOVAHSA-N	403.956	5.878	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1	1860076496	DGCVEZSRUMEZJW-CPNJWEJPSA-N	416.999	5.588	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666483	NFKINZJMWOWDMF-NTEUORMPSA-N	409.700	5.939	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2c2ccccc2)cc1	1865669767	UUHMXRCRFFFKBY-KQWNVCNZSA-N	400.453	5.055	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F	1865670754	PKFCPJJMJQNUAI-YFHOEESVSA-N	402.800	5.193	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)c2ccccc21	1865670783	QZEFUXMYBIYLII-YVLHZVERSA-N	417.818	5.176	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F	1865674642	PKUQMCRPSYZYEC-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
Cc1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c2cc(Cl)ccc2n1	1866270523	DZQBHVWKNGXETG-UHFFFAOYSA-N	401.897	5.622	10	10	HKCE	
CC(C)[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	1868171010	OYANGLZQKAVIJX-NRFANRHFSA-N	415.464	5.370	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)CCCC2	1891232155	PPSRTSMWLFZPSF-UHFFFAOYSA-N	404.944	5.143	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)c(Br)c1	1915189864	TYGWUJMTXBPRQX-VGOFRKELSA-N	419.407	5.287	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C)c1	2217381770	XHNBFEIMWJPZJM-DEOSSOPVSA-N	415.625	5.804	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2ccccc2s1	2297463259	WJMZWTVDTJOJFC-UHFFFAOYSA-N	415.905	5.784	10	10	HKCE	
Cc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)SC2=S)c1	2313609511	KIPRJYOALZITBJ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
O=C(O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S	2314842560	ZWTCJZCORWJECH-UHFFFAOYSA-N	407.516	5.059	10	10	HKCE	
O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O	2326988317	FWGOZGBUAPQTBF-UHFFFAOYSA-N	422.267	5.421	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332104739	MOPFBAUYMRYSIH-UHFFFAOYSA-N	400.787	5.842	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CC)cc1OC	2332124330	QUIYOOIQKDOWKX-UHFFFAOYSA-N	407.514	5.246	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332129888	YCZQYXSKJZZNIR-UHFFFAOYSA-N	409.961	5.768	10	10	HKCE	
CCN1C(=O)/C(=C/c2ccc(COc3cccc(C(F)(F)F)c3)o2)SC1=S	1015933	YZIUJTRWPZCQPB-DHDCSXOGSA-N	413.442	5.099	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	1101034	DPQTWHLEYZRVDA-JLPGSUDCSA-N	406.489	5.448	10	10	HKCE	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)s3)S2)cc1Cl	6859987	IPLUBXBWYXFMJG-KPKJPENVSA-N	413.749	5.555	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460609	GTFSXTJKNIFVPV-XXULJNORSA-N	416.974	5.243	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467616	MTWOPORRYHVGDA-SPKLELGKSA-N	403.309	5.275	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477789	HNJYFGLXAPLNQD-AUSJPIAWSA-N	417.336	5.196	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2)c1ccccc1	14479079	MADRRKGBQRSKAN-DPZBCOQUSA-N	408.545	6.488	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546897	WEFHMHJRRDYXCR-SAHWJRBASA-N	402.365	7.245	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14550889	RWBGKWLTDAPANR-SXWKCWPCSA-N	417.509	5.438	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCCC1	226840622	HLSSFEKAEHXGME-VVBPWWLESA-N	413.348	6.056	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226850096	BBXNZZDDEFTMPE-WIEQDCTASA-N	402.321	6.387	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)c1	1860084677	AMTBFKKVITUSSG-MHWRWJLKSA-N	418.337	5.058	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(N=NNc2cc(C(F)(F)F)ccc2Cl)CC1	1860492537	XNHLCBKHXMSOSM-UHFFFAOYSA-N	406.836	5.537	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cccc(Br)c2O)c1	1925132302	MZRBKORNJZWSCF-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	2294259210	SOJAXPQQGIJHHM-UHFFFAOYSA-N	424.500	6.364	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	2321685102	CTUMIODBVFYDMK-UHFFFAOYSA-N	424.591	5.481	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332099383	PKMQCMBBHJLLQI-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl	3003162	DINUIRDJPIQDEU-VGOFMYFVSA-N	411.291	5.307	10	10	HKCE	
C[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)C1	6782083	ADOVDINPHCPOPV-DVECYGJZSA-N	414.549	5.178	10	10	HKCE	
O=C1/C(=C\NC2CCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	13230190	UDNCYXIBHGPZSL-MNDPQUGUSA-N	416.550	5.244	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464159	DJHRQRPGPHPVNF-HBNGBVNPSA-N	424.544	5.575	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467667	ZWZGCHSDCJKPGL-GSHUGGBRSA-N	418.364	6.950	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	14479618	ZPFPMLBAJUUGDW-YZZKKUAISA-N	406.526	5.060	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544416	WTCQEXFJEONXNI-NTOOTBGVSA-N	415.533	6.090	10	10	HKCE	
CC[C@H](Nc1cc(Br)cc(OC)c1)c1cc(Br)ccc1O	168987291	ZMFKEHBTKDCPBJ-HNNXBMFYSA-N	415.125	5.489	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226695386	JFVQWFJVJNMVOU-FMGHJNRGSA-N	424.544	6.441	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2	226713842	PCWHGFLIHQIKLL-ZFGGDYGUSA-N	410.583	5.323	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cc(Cl)cc(Cl)c1	1084602814	NPTVJDFRKLTYHS-LHHJGKSTSA-N	400.739	6.053	10	10	HKCE	
CCN[C@H](C)c1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1Br	2100209002	ZCBQOQLTLISHSO-URZJWIJPSA-N	417.391	5.304	10	10	HKCE	
CC(C)NCc1ccc(N(C)[C@H]2CC[C@H]2OCc2ccccc2)c(Br)c1	2100209850	HFYXUNHVIJVENQ-FCHUYYIVSA-N	417.391	5.131	10	10	HKCE	
COCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	2297349459	VCGSSJYVDPYDIO-UHFFFAOYSA-N	414.335	5.101	10	10	HKCE	
COc1cc(C)ccc1C=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C	2297535507	QIRZNORPPSLGLL-UHFFFAOYSA-N	409.700	5.770	10	10	HKCE	
COc1ccc(N=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1	2330199794	BNDMRUVVUMSURN-UHFFFAOYSA-N	416.525	5.110	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2ccc(C(C)(C)C)cc2)cc1	2332099946	VFYVYCYUZFZQID-UHFFFAOYSA-N	410.517	5.827	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CCC)cc1OC	2332125727	JFCLOMTXWFCECX-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332127961	ANXGRPVTMWOQCW-UHFFFAOYSA-N	424.209	5.823	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782028	ARQSNFGBSPBECS-NLFFAJNJSA-N	412.577	6.332	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13638491	RQBXHOILNFHGMH-IMSXRSKXSA-N	417.350	7.019	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466263	DUSZQANIBSFKCJ-DOWNOZBLSA-N	408.929	5.075	10	10	HKCE	
O=C(NCCc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21	14474210	GGZSGQUPAAJAKB-WZOHSFFVSA-N	410.517	5.191	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479453	QIRXAVBXZRZIBZ-GLDPYIMESA-N	418.537	5.156	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20748620	HWHAOEJDBXNOLF-IPVFLDMMSA-N	424.544	5.842	10	10	HKCE	
O=C1N=C(O)/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccc(F)cc1	59135071	KHHRJJWEYIFVOD-ZHZULCJRSA-N	402.381	5.125	10	10	HKCE	
Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1	59232506	SHPQEBDSLSCAQP-QNGOZBTKSA-N	417.306	5.592	10	10	HKCE	
COc1cc(Cl)cc(CNc2c(Br)cccc2Br)c1O	232117740	WUPCZEOWNZHNFO-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1	1860076864	SYDFBTRVBXJJMO-LZYBPNLTSA-N	424.330	5.170	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(C)c(Br)c3)C2=O)ccc1F	1860086289	VZVKUBPDHXINOS-LZYBPNLTSA-N	422.344	5.611	10	10	HKCE	
CCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	1865668917	WWDAMACYEJMQIH-YZSQISJMSA-N	424.544	6.074	10	10	HKCE	
CCN[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2CC	1999528051	WAAHCCNYCGUPAD-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
O=C(Nc1ccc(Cl)cc1)C(=Cc1ccc(O)c(O)c1)c1nc2ccccc2s1	2040454077	GURNIKSSHIVZBQ-UHFFFAOYSA-N	422.893	5.540	10	10	HKCE	
CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	2313683259	VVRDSYZVMVTGSF-UHFFFAOYSA-N	419.887	5.925	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1C(=O)O	2332131777	DVJJSXWAHYJGDB-UHFFFAOYSA-N	417.292	5.274	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(F)cc2)cc1	2332140294	TUDAGDGBIARTPR-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	2058712	JRHOTRFDENIQLM-MFOYZWKCSA-N	424.374	5.794	10	10	HKCE	
C[C@@H]1CCCN(c2cc(NCc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737983	PRBUYMIFRAPISI-QGZVFWFLSA-N	423.516	5.888	10	10	HKCE	
O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14465202	RLEPVHWGFAXGLL-MDPIYQRISA-N	408.929	5.075	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467610	YNXAMIFHSZFXJY-RCDCFZSISA-N	417.336	5.665	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14470475	GHIACCWAIFJZRK-OASJLCFRSA-N	424.544	5.794	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccs2)[C@@H]2CC=C[C@H]32)cc1C	14548764	KSQULPQNYAEGRT-DRMXPCRNSA-N	400.547	6.444	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	14550822	UVOFXRSELYQECE-MZKRTTBSSA-N	417.509	5.484	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	20754964	JNBAAVGOJHPOBJ-AZSVPQILSA-N	412.508	6.224	10	10	HKCE	
O=C1N=C(N2CCCCC2)S/C1=C\C1=Cc2ccccc2O[C@H]1c1ccccc1	34981707	PEFXKGUBLCICRS-DYEBDLIZSA-N	402.519	5.203	10	10	HKCE	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C	59858610	WFSPLOZMSQRTLD-DEDYPNTBSA-N	419.916	5.169	10	10	HKCE	
CCOC(=O)/C=C(/C)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O	101352569	DJXQDKQZDJDABV-QTJNJRLBSA-N	419.308	5.317	10	10	HKCE	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC[C@H]2CCCO2)c1	108916866	LSVSCLMHYIRTFI-OAQYLSRUSA-N	404.510	5.213	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1	210690057	ARZORCTUFFCVTI-XDJHFCHBSA-N	424.591	5.214	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1	526495425	IXXANCJGCAORNB-QHCPKHFHSA-N	418.924	5.772	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)c1	1858591023	UEUVREGURVXUDD-LDADJPATSA-N	403.956	5.530	10	10	HKCE	
COc1ccc(-c2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3[nH]2)cc1Cl	1859442048	KEXRTGATKRDXEJ-UHFFFAOYSA-N	420.900	5.210	10	10	HKCE	
CCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673579	MQJZJOLALHDEOK-OQLLNIDSSA-N	407.670	5.438	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H](O)CC)c(Br)c1	1915399650	OLMKOPYAHMPDHC-FXAWDEMLSA-N	419.407	5.287	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C2CCCCC2)c(Br)c1	2095889133	SQMFYERQFMXRQI-UHFFFAOYSA-N	415.419	6.288	10	10	HKCE	
O=C1SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=S)N1c1ccccc1	2314487262	HGPAADDYQURJSJ-UHFFFAOYSA-N	408.460	5.897	10	10	HKCE	
O=C(NCCc1ccccc1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6751182	FEOKADXHYDWJCS-UHFFFAOYSA-N	420.556	5.996	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc1	14461613	NVUBKPFYXZLUSG-MRUHUIDDSA-N	421.799	7.320	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477083	OCKDOVNSYALBKA-YRVVQQKDSA-N	415.364	6.348	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c(Cl)c1	14477539	QLBZQAYJSMLLPR-YAXFVEMYSA-N	419.566	7.780	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(OCCC(C)C)cc2[C@@H]2C=CC[C@@H]21	14544338	IMRCHIZSMSARRT-AWVRMFGXSA-N	413.561	7.100	10	10	HKCE	
CCCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@@H]21	20697423	XNKRXNCWSOATAO-OTNCWRBYSA-N	417.597	5.889	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2O)[C@@H]2CC=C[C@@H]32)cc1C	20707290	RTYQUEMMYKYCLL-FHAGJXEFSA-N	410.517	6.088	10	10	HKCE	
CCN(CC)c1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1	33140168	BCNAFOVGVMHEOH-UHFFFAOYSA-N	409.533	5.678	10	10	HKCE	
O=C1/C(=C/c2ccc(N3CCCCC3)o2)SC(=S)N1Cc1ccccc1Cl	38704584	RXTDMUXPAYRULG-ATVHPVEESA-N	418.971	5.325	10	10	HKCE	
CCO/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	101389019	DGFQRUIRRJKNDJ-HMMYKYKNSA-N	423.563	5.410	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2	226705364	FXYJSHWHXFSUGX-XFQAVAEZSA-N	400.316	5.770	10	10	HKCE	
CCN(CC)c1ccc(CNCCC(=O)NC2CCCCCCCCCCC2)cc1	1857859573	WKAJWJBEPSERSJ-UHFFFAOYSA-N	415.666	5.802	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	1860084005	KDXQQVDUOQXOSF-CXUHLZMHSA-N	420.899	5.053	10	10	HKCE	
O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccc(C(F)(F)F)cc1Cl	1860084508	PVGDCTJSBWWMLK-LFYBBSHMSA-N	405.875	5.826	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1OCC	1860086823	JRZRHDRNMCVJPT-WOJGMQOQSA-N	419.955	5.543	10	10	HKCE	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	1865668639	IUOPGQXMNVNITG-FXBPSFAMSA-N	416.908	5.963	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccccc2C)cc1	1865680196	BKQWNXNYIUOORB-HMMYKYKNSA-N	402.881	5.492	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1	1946823100	WABGHDUVSXNOFJ-XMMPIXPASA-N	415.625	5.886	10	10	HKCE	
CN[C@@H](C)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	2018699164	XNJFDCJYAXIYRB-FQEVSTJZSA-N	423.551	5.384	10	10	HKCE	
CC(C)(C)OC(=O)NC1(C(F)(F)F)CCC(Nc2c(N)cccc2Cl)CC1	2162497605	PCFMQKALARIUHX-UHFFFAOYSA-N	407.864	5.103	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1cc(Cl)cc(Cl)c1O	2203830870	XTNHMUYBFOQBFR-UHFFFAOYSA-N	411.329	5.644	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S	2321665920	PRTKPWICLOXOKK-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116394	JIWSRVZPZZBHSF-UHFFFAOYSA-N	424.544	6.156	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2cc(Cl)cc(Cl)c2)c1	5839023	BAHOWPHSXMUDKK-QZQOTICOSA-N	402.119	7.174	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468406	NNOHXGZAHWTUES-IMWIBFENSA-N	421.493	5.014	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468409	NNOHXGZAHWTUES-IECBHUPTSA-N	421.493	5.014	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549331	DQAPWOYCPJOBJF-LUXHBGHRSA-N	419.568	7.854	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@H]21	14552505	DHSPUWPZKWYDLP-XXAUWVGASA-N	424.544	6.473	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2	20769394	GIMFIBXTPBAHBX-INNMJMHTSA-N	422.572	7.197	10	10	HKCE	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2F)C1=O	33315560	HREAKOCFWYQGFI-OQLLNIDSSA-N	424.316	5.003	10	10	HKCE	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1	33334921	YXNCCBARFBXSBO-DSTLNADQSA-N	422.575	5.171	10	10	HKCE	
CCN1C(=O)/C(=C/C=C2/Sc3c(ccc4c3CCCC4)N2CC)SC1=S	100717973	MVFLTUKQKKGAFF-QJWWANOYSA-N	402.610	5.103	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226732859	VLOOWOKFVYTCRE-ZFGGDYGUSA-N	423.988	5.238	10	10	HKCE	
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226843671	MRWYCNKYAOHQHG-JZKQVHKSSA-N	423.365	5.070	10	10	HKCE	
COc1ccccc1/C=C1/SC(=S)N(c2ccc(Nc3ccccc3)cc2)C1=O	1860086386	DBFBQCZTTBMGOC-RCCKNPSSSA-N	418.543	5.845	10	10	HKCE	
CSc1cccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c1	1860087836	VXWWDWMCDCWWDA-OVCLIPMQSA-N	412.388	6.121	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)c(Br)c1	1915456205	GMLANRNKQUSSQE-XLIONFOSSA-N	417.391	5.305	10	10	HKCE	
C[C@H](O)c1ccc(N(C)[C@@H](C)c2cc(Br)cs2)cc1Br	2186640026	ZWDBQNBXWYWAJX-UWVGGRQHSA-N	419.182	5.524	10	10	HKCE	
O=C(Oc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1	2293654317	PXCROHCONFLISP-UHFFFAOYSA-N	417.511	5.312	10	10	HKCE	
CCN1C(=C2SC(=S)N(CCc3ccccc3)C2=O)C=Cc2cc(C)ccc21	2295187728	DHGQOLAZTODPLY-UHFFFAOYSA-N	406.576	5.163	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2318756752	SDURJEQTGOCRKO-UHFFFAOYSA-N	424.374	6.186	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(=O)OC)cccc4[C@H]4C=CC[C@@H]43)ccc21	13642640	NYQDEJGXFPHNRP-GCOVDLRRSA-N	422.528	6.428	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456580	VAWGEPIEFCXNIV-WWEVIYMKSA-N	400.547	5.813	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456581	VAWGEPIEFCXNIV-LJFZDNNRSA-N	400.547	5.813	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1	14472311	DGPWXFDHQRUJRB-IMSXRSKXSA-N	417.509	5.293	10	10	HKCE	
COc1ccc2ccccc2c1[C@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21	14544160	UVBLWEFQRJIXOF-UQNRQAKVSA-N	406.323	6.437	10	10	HKCE	
C1=C[C@H]2c3cc(OCCCc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14545031	LRHUKMGCRLVUCM-HXVQJGFHSA-N	420.556	7.006	10	10	HKCE	
CC[C@@H](Nc1c(F)cc(F)cc1Br)c1cc(Br)ccc1O	37392734	NWKIGJHYLSXBGM-CYBMUJFWSA-N	421.079	5.759	10	10	HKCE	
COc1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621722	BUDNBXPLMGAJNW-QFIPXVFZSA-N	422.887	6.251	10	10	HKCE	
O=C(/C=C\c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1	102651449	GXQVKTRLDIKLCQ-MJFUUYGPSA-N	418.496	5.937	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1	226712462	CSWWPAXILKNZPF-SLSDLSHTSA-N	417.936	6.624	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	226835819	VTXCVCIBVFFPOG-QZMQVMSPSA-N	415.364	6.805	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1C1CCCCCC1	1858586787	UEQSUGBBUOGHPL-XNTDXEJSSA-N	414.365	5.512	10	10	HKCE	
CC[C@H](C)N(C(=O)CC1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O	1859910479	JIYIIPHHQNDQKY-KRWDZBQOSA-N	403.522	5.564	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860075397	SUGYLZDDBGPMAQ-WOJGMQOQSA-N	403.956	5.841	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1	1860087130	BMTVYJWHFKCCNU-LFIBNONCSA-N	409.454	5.510	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2sccc2C)cc1	1865670659	LIBUTRZFKYKANF-CPNJWEJPSA-N	406.482	5.034	10	10	HKCE	
[N-]=[N+]=NC[C@@H]1CCCCN(Cc2c(Br)cccc2Br)C1	1912198865	LPWAOETTXCUXJM-NSHDSACASA-N	402.134	5.124	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)C)c(Br)c1	2034781544	FQAJUXWJKMPCRW-QGZVFWFLSA-N	403.408	6.315	10	10	HKCE	
CC1(C)CCCN(Cc2ccccc2)[C@H]1CNCc1cc(Cl)cc(Cl)c1O	2184345772	NKYFSOYWVDJOSC-FQEVSTJZSA-N	407.385	5.479	10	10	HKCE	
COc1ccc([C@H](C)Nc2ccc(Br)c(Br)c2)c(O)c1	2185907601	OFBTUJSRFOGRJH-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
O=C1C(=Cc2c(Cl)cccc2Cl)SC(=S)N1CCOc1ccccc1	2294498901	SWFSCGZAKMDUFJ-UHFFFAOYSA-N	410.347	5.274	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc1OC	2332124363	UNEWFQYQKQNAOT-UHFFFAOYSA-N	406.526	5.456	10	10	HKCE	
CCN(CC)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1	2332130599	HCDQEUXDHHOOSW-UHFFFAOYSA-N	421.850	5.535	10	10	HKCE	
CC[C@@H](NCc1csc(C)c1Br)c1cc(Br)ccc1O	2369822514	LQJZOBZUTRUCOB-CYBMUJFWSA-N	419.182	5.528	10	10	HKCE	
CCOc1cccc(CNc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O	3013760	XSRAGCIGFGKGTD-UHFFFAOYSA-N	408.885	6.173	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2)c1ccccc1	13636417	RVFYONGXHULWEF-DXBVXKBHSA-N	424.544	6.188	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14462854	ZDBBQYFTXVDHDX-YZUZCNPQSA-N	424.610	5.713	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21)N1CCCCC1	14478157	PMWITDKHAIRZLT-JKSBSHDWSA-N	403.482	5.047	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544073	WOTIECYRRABEPG-LZCXECNNSA-N	413.517	6.242	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2)c1ccccc1	14545209	CXHOOXHXZYMGKG-NYUJMHJJSA-N	405.501	6.247	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C3\Sc4ccc(Cl)cc4N3C)SC2=S)cc1	33919753	YBDAOCXWWLHQMM-BMRADRMJSA-N	404.969	5.424	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ncc(Cl)c(C)c3Cl)c3ccccc3)c(O)c2n1	54200381	UQGFYCBIOQBCTM-FQEVSTJZSA-N	424.331	6.461	10	10	HKCE	
CC[C@@H](Nc1ccc(Br)c(F)c1)c1cc(Br)ccc1O	115869038	PPDYLWUUHCVMGZ-CQSZACIVSA-N	403.089	5.620	10	10	HKCE	
Cc1ccc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1	210499362	LGIMOQNNQJIMLL-OBGWFSINSA-N	405.585	5.402	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)CC)cc1Br	387289639	WTQXETMKNZUHMC-QZTJIDSGSA-N	403.408	6.315	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1	526559616	GMPPOPLZDKPXBK-QFIPXVFZSA-N	424.422	5.227	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c1	1865668530	CPJAMAOPOCIWOX-ULJHMMPZSA-N	414.480	5.445	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)c2ccccc21	1865670877	WXYACZVGGKRNDZ-UVTDQMKNSA-N	403.791	5.180	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(NCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O	1873169519	CMJSLAKPTIRSSB-OAQYLSRUSA-N	421.585	5.142	10	10	HKCE	
CCN(CC)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c(C)c1	1874133179	VRSRMWNYNGOBPN-UHFFFAOYSA-N	405.542	5.510	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C2(CO)CCC2)c(Br)c1	1915759251	BRJUTQWLNHOOBS-KRWDZBQOSA-N	417.391	5.041	10	10	HKCE	
CCCCCCc1cc(C=C2SC(=S)N(CC)C2=O)sc1Br	2069378198	YZLAFNSQLZMHSB-UHFFFAOYSA-N	418.447	5.855	10	10	HKCE	
COC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1Br	2079956420	KCAJYGVGTWVWRA-SFHVURJKSA-N	423.351	5.123	10	10	HKCE	
COc1ccc(O)c([C@H](C)Nc2ccc(Br)c(Br)c2)c1	2185908403	WRINBEQDTTYABB-VIFPVBQESA-N	401.098	5.099	10	10	HKCE	
CC[C@H](C)N(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1Br	2223536929	IGDKDMVRDBZAGE-MSOLQXFVSA-N	403.408	6.142	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2321585833	ABTCBTWNPGXSHC-UHFFFAOYSA-N	400.739	6.053	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1F	2323890053	XRAOJZNDOZMCIJ-UHFFFAOYSA-N	411.445	5.554	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)=NN1c1cccc2ccccc12	2332099361	NEQPIUXEOBOSLH-UHFFFAOYSA-N	408.888	6.328	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(Cc2ccccc2)N=C1C(F)(F)F	2332113780	JAUFMNCDTQRAGG-UHFFFAOYSA-N	410.395	5.193	10	10	HKCE	
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460339	SKHSBYGHYAVSTG-LQWHRVPQSA-N	416.974	5.243	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	14477675	HLWSMSMWBABADP-BXTJHSDWSA-N	401.337	5.960	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753653	MPSGNYOKGAMJDF-SAYMBASOSA-N	418.540	6.569	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1ccc2ccccc2c1	40945544	ZUXFONXJKADUQH-UHFFFAOYSA-N	400.912	5.418	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1Cc1ccc(Cl)cc1	1858590625	BEBHVBAHHQSHBK-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S	1858590723	GFIYDFBAVYITHE-COYFKBPASA-N	423.600	5.273	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(C(C)C)cc3)C1=O)cn2C	1860084467	ZNYDLVCQVQTSMV-SRZZPIQSSA-N	422.575	5.716	10	10	HKCE	
CCCCOc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O	1871107791	FGWYGSYFQQLXON-UHFFFAOYSA-N	405.542	5.793	10	10	HKCE	
CCc1c(C2CCC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1Br	2079818436	PQWDOHRENYQGPR-UHFFFAOYSA-N	403.242	5.248	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2cc(C)c(C)cc2O)c1Cl	2080038461	RFCKNESFORUWDC-GFCCVEGCSA-N	404.816	5.054	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1	2133496111	MELVGQITYLNCPQ-LSDHHAIUSA-N	403.350	5.015	10	10	HKCE	
COc1cc(C=C2C=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl	2314717750	SRKUBEJBZMUXKH-UHFFFAOYSA-N	418.876	5.909	10	10	HKCE	
C[C@@H]1CCCC[C@H]1N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S	2323790898	STIUIGQYMZEGKO-DYESRHJHSA-N	423.603	6.046	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1Cc1cccc(C(F)(F)F)c1	2323889808	WEYDEVHWICOCIO-UHFFFAOYSA-N	413.873	5.760	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2	4698948	NRDYEOBJMGFFQC-VNBZBWLYSA-N	407.819	5.972	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	5791088	ZUIDRTDLTVYJKM-XSFVSMFZSA-N	411.885	5.006	10	10	HKCE	
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13641705	QCQBYXCEPLZWMM-JTFSCDOYSA-N	409.526	5.716	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2	13645036	AXEGJRCFYVLTHN-PLXFJCCSSA-N	417.597	5.841	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457941	HJCSCNGVPBNESZ-WHCXKFMVSA-N	414.593	6.310	10	10	HKCE	
COc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C	33446975	UUINYRIJRDVHDH-KGENOOAVSA-N	420.559	5.509	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1Cl	39372905	QJIXMIRHUHUUSH-ZJPYXAASSA-N	402.925	5.745	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1C(F)(F)F	115868014	VOGNWCBMOWFXRB-NTEUORMPSA-N	410.398	5.019	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1	226709251	QXHANFUCRRMQGG-UMFSSWHCSA-N	407.985	7.516	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1	526171181	UIBAGFPNLYECJP-XMMPIXPASA-N	416.496	5.566	10	10	HKCE	
COc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526217816	AVPUVTZJJJUCJW-DEOSSOPVSA-N	414.505	5.127	10	10	HKCE	
CSc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	1860076584	MDSRGCPVXLEJAA-OVCLIPMQSA-N	412.388	6.121	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1860084198	PJEWGCWMBMQTKG-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)cc3)SC2=S)cc1	1860085590	BQYGVGWNHKTHAV-HMMYKYKNSA-N	413.564	5.670	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C(F)(F)F)c1	1865668835	RYKVAMFAVYOMPH-QINSGFPZSA-N	408.807	5.477	10	10	HKCE	
Cn1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c2ccccc21	1865670775	QMGNRUMNSGYCAS-HAHDFKILSA-N	409.464	5.148	10	10	HKCE	
CC[C@H](C)OC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)c1	1874155244	PLEGHEGABDNXHI-KRWDZBQOSA-N	420.509	5.310	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(-c2cccc(Cl)c2)cc1	1891724323	NCVMOSWYGALFMT-DFBJGRDBSA-N	416.952	5.926	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(C)CCCOCc2ccccc2)c(Br)c1	2231463078	LDHIPEPPBLMOQO-GOSISDBHSA-N	419.407	5.380	10	10	HKCE	
COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1	2293323876	BYQXSNDTXTXEGC-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)ccc1OCc1ccccc1F	2293692848	OUWQFSXDTJXIRB-UHFFFAOYSA-N	400.453	5.519	10	10	HKCE	
CCOc1ccccc1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O	2297561226	SBARXEAZSITTDK-UHFFFAOYSA-N	420.353	5.254	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cccc3ccccc23)cc1	2332099796	FTQOBEZOWHLCHW-UHFFFAOYSA-N	405.457	5.078	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116517	XCTCGBYJHLPHOM-UHFFFAOYSA-N	424.544	6.074	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332140794	KIHKQZDHAKBESH-UHFFFAOYSA-N	403.162	5.481	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	13639077	NYXCBFABMLMXCF-ZWOKBUDYSA-N	411.343	5.415	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@@H]3C=CC[C@H]32)s1	14552379	HEXCEHHZLWBBFR-YOSAUDMPSA-N	400.547	6.444	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1Br	33315523	MRLYBUBLKPUXRV-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
CC[C@H](N[C@H](C)c1ccc(Br)cc1)c1cc(Br)ccc1O	109931399	DPCZMQOVZVUMIH-BZNIZROVSA-N	413.153	5.719	10	10	HKCE	
CCn1cc(CN2CC[C@@H](c3ccccc3OC)Sc3cc(OC)ccc32)c(C)n1	299786709	PLERNFPEVPWVGB-QHCPKHFHSA-N	423.582	5.472	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccc(O)c(O)c2)c1	526183309	MKURBXNELLNKQH-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1CN1CCCCC1	1084245701	PELFQTDRLMHJFJ-JCMHNJIXSA-N	418.587	5.638	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656172	ALLGLOFTVKWONG-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	1865669943	ZPMIGMURRCWXKU-KQWNVCNZSA-N	400.453	5.055	10	10	HKCE	
CC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	1868178999	KXYSGHDRZGXJRJ-MRXNPFEDSA-N	403.865	5.248	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Br	1915124818	RVDDYQMUOLRLMW-QGZVFWFLSA-N	413.359	5.919	10	10	HKCE	
COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080034323	NMGKEKJKTADVRW-OAHLLOKOSA-N	418.843	5.300	10	10	HKCE	
O=C1C(=CC(Br)=Cc2ccccc2)SC(=S)N1Cc1ccccc1	2297327318	ODIYOSSGBUIWNU-UHFFFAOYSA-N	416.365	5.367	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3)SC2=S)cc1	2297459523	YWWMSPVMGDJGLY-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323852670	MVRJDPOTXXTFBE-UHFFFAOYSA-N	423.525	5.875	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332099351	MIKOUKACKFOXDF-UHFFFAOYSA-N	407.300	5.824	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c(C)c1	14457664	NOOHABGKPJVXHP-CSODHUTKSA-N	415.318	6.043	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21	14546299	XYNJSCYMGBJMAG-UXWDXCIHSA-N	411.545	6.533	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1OC	20715623	IEQJBWMWDHHWRJ-LOYIFYEOSA-N	413.517	6.109	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	32603304	CLKRBFGIDHLZDD-PGUDACFLSA-N	407.558	6.786	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1	54619285	RMRKYYOYUKYVEU-QHCPKHFHSA-N	413.477	5.022	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2)c1ccccc1	226790310	XSDKGJMCKGYONJ-ONBPZOJHSA-N	424.544	6.188	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	226905226	QTASUACKHBFVMU-HMFYCAOWSA-N	408.548	5.375	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1c(Cl)cc(Cl)cc1Cl	708101398	YRZATRDKFBRLTQ-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084533145	MKZGGYQVPKWXEN-ALCHFBEYSA-N	416.506	5.637	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3F)C2=O)cc1	1858591740	YERLVGCPLGKNPB-CPNJWEJPSA-N	400.544	5.073	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2Cl)N=C1c1ccccc1	1865674656	QFUSEDFMTJDPMC-JZJYNLBNSA-N	416.908	5.963	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(C(F)(F)F)=NN1c1cccc2ccccc12	1865677931	KUSXHWFSRQYBHV-VBKFSLOCSA-N	411.339	5.097	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)C(C)(C)CO)cc1Br	1915769842	KKEDXTRDHBQZTE-QGZVFWFLSA-N	419.407	5.287	10	10	HKCE	
Cc1cc(Cl)c(Br)cc1NCc1cccc(Br)c1O	2138095041	XTLIFSSEPNGLNA-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)SC1=S	2293794962	SWKWYIHSXIUAFQ-UHFFFAOYSA-N	424.635	6.363	10	10	HKCE	
O=C1C(=Cc2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccccc1F	2297357088	IYOGDBMVPISBJL-UHFFFAOYSA-N	413.520	5.976	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1c(Cl)cc([N+](=O)[O-])cc1Cl	2297511680	YDKNLOQJRABUAE-UHFFFAOYSA-N	419.268	5.237	10	10	HKCE	
CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=CC=Cc2ccccc2)SC1=S	2314769909	WVPBUNBHXDEGDH-FQEVSTJZSA-N	423.559	5.139	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)cc1OC	2321635346	ABQWGJXSENSDMK-UHFFFAOYSA-N	413.564	5.507	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323850679	AIAVXWVAEZPMOS-OAHLLOKOSA-N	401.519	6.266	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099982	YXHIXCWGPSQEHZ-UHFFFAOYSA-N	411.343	5.943	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)C(C(F)(F)F)=NN1c1cccc2ccccc12	2332107664	RYKHKKNAJNOAEG-UHFFFAOYSA-N	416.786	5.547	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473118	BFKIUSOJABUHBV-IVZHQMGZSA-N	411.889	5.213	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc4ccccc4c2)N3)CC1	14475530	KHUFXWSYIMYKJK-VBOOUTDYSA-N	422.572	6.538	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477084	OCKDOVNSYALBKA-PJSUUKDQSA-N	415.364	6.348	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H]2CC=C[C@H]32)CC1	14478180	NEDWPXTWTKOZLA-YZZKKUAISA-N	417.509	5.293	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21	14546870	RDMWXXWQMHJZRE-VWVPQACVSA-N	401.337	5.960	10	10	HKCE	
COc1cc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)ccc1O	20693085	NKAQBMVZHMVXCT-IECBHUPTSA-N	418.537	5.290	10	10	HKCE	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1C(F)(F)F	33407665	BMIZOEOJMIEVFZ-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1	103044492	HKJGCWZUJLPCAB-BXOXAHMRSA-N	407.561	6.554	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226649627	WQPJXDLVIKOYNY-XQBPLPMBSA-N	414.343	5.691	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	226676974	GOYHTTGLZQDZCM-KHVXQDHOSA-N	417.597	6.344	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(C[C@H](c2ccccc2)N2CCCC2)C1=O	1858594354	VYFVASSRXJNNAG-LNKKFFRNSA-N	408.592	5.033	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860086647	YHWWIQVNKGTYSK-LICLKQGHSA-N	408.375	6.523	10	10	HKCE	
O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)cc1F	1860087372	SPBWETQGPIGUOH-VGOFMYFVSA-N	401.381	5.389	10	10	HKCE	
O=C1/C(=C\c2ccccc2)C(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1	1865649924	LVLPQZPKIVJPPU-UYRXBGFRSA-N	407.300	5.824	10	10	HKCE	
Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	1891413136	NZWPTWUIYRJJNZ-HKUYNNGSSA-N	421.541	5.176	10	10	HKCE	
CCCN1C(=O)C(=CC=C2Sc3c(ccc4ccccc34)N2CC)SC1=S	2297506739	JTFHAWPSZIGVMA-UHFFFAOYSA-N	412.605	5.767	10	10	HKCE	
O=C1C(=Cc2ccccc2O)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332140485	KDZMZTHYFIUOTF-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(OCC)c1	2308237	RCTMBKJJYVESQE-WOJGMQOQSA-N	403.500	5.029	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2)N1CCOCC1	14464567	MKIFZKXMUVVQEW-KJOQGJGQSA-N	410.517	5.139	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476387	AUNNXHXFOVYIOV-OSWQYVSFSA-N	422.355	7.399	10	10	HKCE	
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	14546701	AXJRHCUUMGSYQE-GSRNSYJJSA-N	419.566	7.780	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@H]32)cc1	14553509	OYCICJUACXYXCE-PLXFJCCSSA-N	410.517	6.082	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)CC1	226721368	XJIRHYGOCDVLOP-PQNGQFLHSA-N	406.957	6.039	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226858885	HWHAOEJDBXNOLF-YZIHRLCOSA-N	424.544	5.842	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(NCc2ccc(Br)cc2O)ccc1F	691490725	XCBURAIBHWMNNI-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4cccc(F)c4)SC3=S)cc2)CC1	1860085695	UUYLEEOQXATHDF-XSFVSMFZSA-N	412.555	5.468	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC	1860086798	IGKHVPAVJIBURK-LDADJPATSA-N	419.955	5.543	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)C)cc1	1865664581	GSJXNVXZDQZVIU-WOJGMQOQSA-N	401.337	6.309	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1c(OC)ccc2ccccc12	1865667109	FVAXXGIFBSSGRO-LFVJCYFKSA-N	412.533	6.047	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cc(Br)ccc2O)c1	1925139156	IVNQGVOUCDRXSF-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2034812774	FVKLKCKCETYRAG-SFHVURJKSA-N	403.408	5.998	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	2297469124	PSCLSVBTCQGINB-UHFFFAOYSA-N	419.554	5.130	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3cc(C)c(Cl)cc3OC)C2=O)c1	2318755880	AIGHAGUKHOBEAT-UHFFFAOYSA-N	405.928	5.071	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc2ccccc12	2321698324	BYIMGVYVEUJMHV-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)cc1	2332139407	DJXLLCRQQFFIPO-UHFFFAOYSA-N	400.909	5.733	10	10	HKCE	
Cc1ccc(CNc2cc(F)c(Br)c(Cl)c2)c(O)c1Br	2380800424	IDNQEQQQXXCHAN-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(C(C)C)cc2)[C@@H]2CC=C[C@H]32)CC1	14463093	GTSRFRNPYAMCJB-ZEVJAHDQSA-N	414.593	6.509	10	10	HKCE	
Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]21	20243081	VZRMBMRSPDATGR-CGMALJKESA-N	403.111	7.266	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC3CSC3)cc1)N2	33853475	KFBFFOIWLZCQTP-VIZSFHNOSA-N	407.535	5.184	10	10	HKCE	
Cc1cc(I)ccc1NCc1cc(Cl)cc(Cl)c1O	37057390	BENDSEDSKUYEBZ-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
Oc1c([C@@H](Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)ccc2cccnc12	54619562	WPKMUXRHOHMLSZ-FQEVSTJZSA-N	412.386	6.300	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	226846610	HHZJDLAONFMQBC-CERRFVOPSA-N	424.588	6.929	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1cccc([N+](=O)[O-])c1	253578527	YMAYHUSSGGPPNN-KVPLUYHFSA-N	413.477	5.000	10	10	HKCE	
CC(C)Oc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1ccc(O)c(O)c1	526376431	CTNFOYCXTHONRP-OAQYLSRUSA-N	423.490	5.004	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	1860073418	CYKHHJFXYWAKPO-OQLLNIDSSA-N	424.772	5.817	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)c(OC)c1	1865677661	WPRGKZKFNAXPNZ-NTEUORMPSA-N	405.281	5.207	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2ccccc2C)sc(C)c1-c1ccc(C)c(C)c1	1865978167	WDULWUQOBNGQSK-UHFFFAOYSA-N	421.562	6.007	10	10	HKCE	
Cc1ccc(Oc2cccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)c2)cc1	1891729066	XLNXAYGWQYNQLG-URXFXBBRSA-N	412.533	5.706	10	10	HKCE	
NCc1cc(F)c(N(Cc2ccccc2)CC2CCCCC2)cc1Br	2034700852	GZADBCWAKLSGSD-UHFFFAOYSA-N	405.355	5.634	10	10	HKCE	
CC(C)CC1=NN2C(=N)C(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1	2293394423	WRBJJZYAQFKOQA-UHFFFAOYSA-N	412.902	5.265	10	10	HKCE	
Cc1cccc(C2=NC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C)cc(C)c2)c1	2297300824	FBWICBARUCNSSU-UHFFFAOYSA-N	411.461	5.355	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	2321576622	RPCWBXMKBGXSLH-UHFFFAOYSA-N	423.947	5.211	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1	2321585798	NXPDBOWFRKVSMY-UHFFFAOYSA-N	424.330	5.026	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	2321609700	AYYLXRLXIKGYDC-UHFFFAOYSA-N	409.454	5.510	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321665857	DWODVRYTXWPHMK-UHFFFAOYSA-N	407.482	6.235	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cccc(Br)c1	2332098149	UXAHITCWQXDJQU-UHFFFAOYSA-N	421.697	5.433	10	10	HKCE	
Cn1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)c2ccccc21	2332128912	QMGNRUMNSGYCAS-UHFFFAOYSA-N	409.464	5.148	10	10	HKCE	
COc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1OC	2332140356	YGMQMONDCUMONU-UHFFFAOYSA-N	418.880	5.192	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2	13639142	NGMCIMBNEOGSOY-MZKRTTBSSA-N	412.371	6.701	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(ccc5ccccc45)[C@H]4C=CC[C@H]43)ccc21	13642071	KMZYHZDVUIYMQE-KNAJXNNHSA-N	414.552	7.794	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644355	BIMJGLSEOIPKNV-HWBMXIPRSA-N	415.581	5.595	10	10	HKCE	
C/C(NCc1ccccc1Cl)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	17082298	LSGBQVAPANBXOG-OQKWZONESA-N	401.897	5.155	10	10	HKCE	
S=C(/C=C1\SC(Cc2ccccc2)=C(c2ccccc2)S1)c1ccccc1	97472370	AUKHPGMZMDZNAO-HAVVHWLPSA-N	402.609	7.338	10	10	HKCE	
Cc1cc2c(n1-c1cc(Br)ccc1Br)CC(C)(C)C[C@@H]2O	110038062	DISPBUOHZVFTDF-INIZCTEOSA-N	413.153	5.317	10	10	HKCE	
Nc1ccc(N(C(=O)N/C=C/c2ccc(Br)cc2)c2ccccc2)cc1	218277489	LCSONZAGQSNALG-CCEZHUSRSA-N	408.299	5.550	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226850528	WVRAUBKLINCTJG-VHSZZVNMSA-N	410.517	6.051	10	10	HKCE	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1	1084555591	VJHCDDUSHSKJFY-QGOAFFKASA-N	403.956	5.925	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865664402	OPOSSEVGLTVBBO-XHPQRKPJSA-N	416.524	6.798	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccccc1COc1ccccc1	1891689064	WOKIEKMANLJJNE-URXFXBBRSA-N	412.533	5.184	10	10	HKCE	
C[C@@H](Nc1ccc(Cl)c(I)c1Cl)c1ccc(O)cc1O	2150347399	ZXVGNPGDYRXHJA-SSDOTTSWSA-N	424.065	5.182	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1cc(Cl)ccc1Cl	2318757021	UCJKKPJWRMJFSC-UHFFFAOYSA-N	416.354	6.552	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1F	2321613594	XTYPXWHQSLAAKJ-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
O=C1C(=Cc2cc(Cl)ccc2O)SC(=S)N1c1cc(Cl)ccc1Cl	2321647111	RIMCZQZDZARLGA-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)c1	2321744018	AZMGSDJEWATJPR-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323850678	AIAVXWVAEZPMOS-HNNXBMFYSA-N	401.519	6.266	10	10	HKCE	
CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)ccc1F	2332129715	FTZJRGRGSIDBRW-UHFFFAOYSA-N	415.306	5.479	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(O)c(OC)c1	2332134884	VTFQBUALWKJQKL-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2cccc(F)c2)cc1	2332140780	JPXUADSMUMWHCJ-UHFFFAOYSA-N	422.459	5.822	10	10	HKCE	
O=C1/C(=C/c2ccc(-c3cccc4ccccc34)o2)SC(=S)N1c1ccccc1	1808133	UURAOFHREGQCGM-JCMHNJIXSA-N	413.523	6.506	10	10	HKCE	
Cc1ccc(-n2c(C)cc(CNC(=O)Nc3cccc(Br)c3)c2C)cc1	9228552	SWKPRFVREUXRMI-UHFFFAOYSA-N	412.331	5.487	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c(O)c1	13640304	QDJBRALZXBKBNQ-ZYLNGJIFSA-N	415.489	5.382	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472301	KKVXUGIWGJMHFH-ZOCZFRKYSA-N	411.889	5.813	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCCC1	14547049	SULXPSXJUCVIIB-DMPWYTOCSA-N	413.348	6.056	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)c4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	14553507	OYCICJUACXYXCE-UMFSSWHCSA-N	410.517	6.082	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCC(C)CC4)cccc3[C@@H]3C=CC[C@H]32)c1O	20694319	CDXWCDJBOSRRDI-PMAPCBKXSA-N	418.537	5.099	10	10	HKCE	
CCCCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1OC	33352596	IMTMLMGHSQUKNJ-SILNSSARSA-N	402.560	5.111	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3c[nH]nc3-c3cccc([N+](=O)[O-])c3)C2=S)cc1	35516514	LNDSFVNLZFJODJ-YVLHZVERSA-N	422.491	5.335	10	10	HKCE	
CCCCC1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2Cl)C(=O)O1	59406676	QRCUBUKVLWJOIH-UHFFFAOYSA-N	414.885	5.309	10	10	HKCE	
CCN(CC)c1ccc(/C=C\c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1	83333372	UVEIBRMWSYNMMX-NXVVXOECSA-N	404.557	7.432	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	226724157	TVCQYMDHVLHWTM-ZFGGDYGUSA-N	408.973	6.429	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226850999	RTCCFFTZQVHXFV-DGGJZMOXSA-N	402.365	7.245	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)[C@H](C)C2CC2)c(Br)c1	385440914	GETWPZVMPQSCOT-GOSISDBHSA-N	415.419	6.000	10	10	HKCE	
CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1	526539973	DFTPMWVRYYTXKI-HXUWFJFHSA-N	412.461	5.150	10	10	HKCE	
Cc1ccc(CCC(=O)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C(C)C)cc1	1859891997	RXKGODJPAXFJIU-UHFFFAOYSA-N	411.501	5.145	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4cccc(O)c4)SC3=S)cc2)CC1	1860085419	JXNBHDFAHYHNGP-XSFVSMFZSA-N	410.564	5.034	10	10	HKCE	
CCCCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1	1860085662	IIQFVUGZDDRTQZ-HMMYKYKNSA-N	412.580	5.337	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H](C)c2cccs2)cc1Br	1915364030	CMGBAWVMWSOVRG-HOTGVXAUSA-N	415.400	6.298	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2Br)C2(C)CC2)c(O)c1	2079007209	OVTDKXDMZDSULW-GOSISDBHSA-N	403.320	5.129	10	10	HKCE	
CCN(CC)c1ccc([C@H](O)c2cc(Br)sc2Br)cc1	2163094754	NZAHXCOBOUZHLM-AWEZNQCLSA-N	419.182	5.201	10	10	HKCE	
COc1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)c(OC)c1	2294741875	XNGQBHFXGUAGFI-UHFFFAOYSA-N	407.516	5.263	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	2296881394	FGDRHTHHJQJIKO-UHFFFAOYSA-N	424.591	5.096	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(Sc2cccc3ccccc23)o1	2297348171	OUOOGUULZRGOBN-UHFFFAOYSA-N	410.498	6.390	10	10	HKCE	
CCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116357	FJGKWBKXXDMWKI-UHFFFAOYSA-N	416.908	6.115	10	10	HKCE	
CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4730045	BOCQBTDETHRKSO-ICSRJNTNSA-N	421.766	5.704	10	10	HKCE	
CCCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1	6878003	XJVQKJGDFGHGMU-LJQANCHMSA-N	416.565	5.629	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O	14457502	HLAUFWPVRUAAKC-ZYLNGJIFSA-N	418.537	5.244	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O	14459343	VXTSSIMMENZDSL-BERHBOFZSA-N	419.565	6.577	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14460571	AVIRPIXTDHCWCP-ZEVJAHDQSA-N	415.964	7.178	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2)N1CCCCCC1	14548564	AGZGSYMPWZWAHM-SPEDKVCISA-N	414.596	5.139	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749380	JUGXVSPUJCHINS-IPVFLDMMSA-N	424.544	5.794	10	10	HKCE	
CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(CC)C1=O	33782060	HBJHZLQRDYRFQY-JTCWOHKRSA-N	406.598	5.013	10	10	HKCE	
COc1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2cc(C)cc(C)c2)c1	34139262	NISVZICVDYEBAT-XQNSMLJCSA-N	412.489	5.155	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	34798724	GIGGVQZQNKKVLB-YICNLQCZSA-N	412.518	5.165	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226778479	RTSHHLUEGYSHRG-DBXWQHBBSA-N	411.343	5.870	10	10	HKCE	
O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1	226793550	ULXFEKTWXZMBAK-ZFGGDYGUSA-N	408.567	5.078	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	251184324	JQOOPRMVTZBTSZ-PLXFJCCSSA-N	408.545	6.094	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C)c2)cc1	526323275	SSRPOHZEXWHCBG-HSZRJFAPSA-N	418.562	5.960	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OC(C)C)c(OC)c1	1865671361	XNHQCSTXEMENGI-FYJGNVAPSA-N	406.526	5.291	10	10	HKCE	
CC(C)Oc1ccccc1-c1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1	1872737835	HUGASPDLXDMAKL-UHFFFAOYSA-N	414.509	5.335	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccc(Cl)c(Cl)c1	2332099348	LVRYJXKQNHNMBY-UHFFFAOYSA-N	419.617	5.995	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2CC)cc1OCC	2332113745	DPNJEKPWGDVFRC-UHFFFAOYSA-N	420.553	5.683	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)c1	2332116744	UYYKORKIWFMQIN-UHFFFAOYSA-N	416.908	5.569	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(O)c1	13640221	UEMNUECSCFOROG-IPVFLDMMSA-N	415.489	5.382	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@H]21	14467333	YPFZNUFODBMBMO-YNHOBRIKSA-N	401.120	6.832	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21	14548725	FLZNRVLWCMIHJP-WWEVIYMKSA-N	400.547	5.847	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1O	20693394	YAAJZFBNAGUHDN-LOYIFYEOSA-N	413.517	5.849	10	10	HKCE	
COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21	20698285	SKJYQIUEEUDETF-PQNGQFLHSA-N	404.554	5.403	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710766	VPSAIRMFWCEZLE-YPCDYVTLSA-N	424.544	5.794	10	10	HKCE	
CCCCC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1	38643306	YWKBSDWWNKESSF-LLAFXHEGSA-N	400.607	5.257	10	10	HKCE	
Cc1cc(C)cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1	526169461	NMFFJSKXYOTSJM-JOCHJYFZSA-N	404.535	5.488	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1C	526252835	XDCUJAMHMWXXJD-JOCHJYFZSA-N	421.880	5.425	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(N(C)C)cc2)cc1	526559119	YYAWGCXQAJYSQD-QHCPKHFHSA-N	420.459	5.396	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2ccc(Br)cc2O)c1	691489233	RQQYJMFLIVDKNI-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S	1858588492	IZDUZMCJANWNPR-KZZXARMCSA-N	411.514	5.731	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)cc1	1860085614	DWRPVXXUNFAQBJ-RCCKNPSSSA-N	418.543	5.087	10	10	HKCE	
CC(C)NCc1ccc(N2CCC[C@H](OCc3ccccc3)C2)cc1Br	2129803654	QCKYBEYYUBWVDB-NRFANRHFSA-N	417.391	5.133	10	10	HKCE	
COc1ccc(C=C2C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1	2297297026	IVKDJBATMIONKG-UHFFFAOYSA-N	422.311	6.473	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1	2313681645	KAVMMJGAODHOTO-UHFFFAOYSA-N	403.404	5.474	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1	2321660891	SFKDCSVZAPTLDO-UHFFFAOYSA-N	424.591	5.137	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	6129672	BSRVTBNXOZZSHE-PILJQMSFSA-N	404.354	5.412	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	13644031	HZDSOQFURXNGGL-HWBMXIPRSA-N	415.581	5.642	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	20750219	RDMWXXWQMHJZRE-YHQOMNDMSA-N	401.337	5.960	10	10	HKCE	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	33334135	DCBJMKFMDJQVMV-XDHOZWIPSA-N	420.852	5.413	10	10	HKCE	
O=C1/C(=C/C=C\c2ccc(Br)cc2)SC(=S)N1c1ccccc1	33423968	NKCJZCDNQVQCDO-XRGWHMLESA-N	402.338	5.411	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1	254679018	HKJGCWZUJLPCAB-PXLHWUFVSA-N	407.561	6.554	10	10	HKCE	
CCN(CC)c1ccc(N=Nc2sc([N+](=O)[O-])cc2C(C)=O)c(NC(C)=O)c1	255999030	RFZHYTGMDJEVDL-UHFFFAOYSA-N	403.464	5.079	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CC[C@H](COCc3ccccc3)C2)cc1Br	384142044	ZOLNFXUTHRTNPQ-HKUYNNGSSA-N	417.391	5.163	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	1860074742	IVZKBLPOBZNYEW-DEDYPNTBSA-N	408.548	5.011	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3c(F)cccc3Cl)C2=O)c1	1865664555	SMVBPNOVVFCPGZ-DHDCSXOGSA-N	410.798	5.440	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3cc2O)sc(C)c1-c1ccccc1	1866003891	AIJSGQZOXNBKQR-UHFFFAOYSA-N	417.486	5.621	10	10	HKCE	
CC1(c2nn(Cc3cc(Br)ccc3O)c(Cl)c2C(F)(F)F)CC1	2079698916	ZMESBBUQZSPSSN-UHFFFAOYSA-N	409.633	5.123	10	10	HKCE	
C[C@@H](c1cc(Br)cs1)N(C)c1ccc([C@@H](C)N)c(Br)c1	2186589201	DGVMMOAWHOVMGF-ZJUUUORDSA-N	418.198	5.490	10	10	HKCE	
CCn1c2ccccc2c2cc([C@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@H]4C=CC[C@@H]43)ccc21	13642367	XWDAWWRXHGXLOY-OWOAZTCBSA-N	423.516	6.858	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458175	PTQJIRXAIOCYDH-STWLZBDKSA-N	404.554	5.205	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@H]21	14461944	JYQWBBDKMKIPBC-YZUZCNPQSA-N	403.570	5.499	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477338	KLPVJHCZDDVZTR-PDSXEYIOSA-N	417.336	5.196	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549500	JIAFZMKDIOGCBV-CTVOUCONSA-N	418.540	7.168	10	10	HKCE	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccccc1	33316148	LZHZESDBVZTVMR-RGEXLXHISA-N	403.825	5.083	10	10	HKCE	
COc1cccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(OC)c3O)N2)c1	53363862	VMTZICDTVHKJJU-URXFXBBRSA-N	422.912	5.285	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Cl)cc2Cl)c2cccs2)ccc2cccnc12	54621887	CNWOCWODADFTAX-LJQANCHMSA-N	401.318	6.510	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	59858644	FDIRHWTYWMWADC-UCQKPKSFSA-N	413.525	5.133	10	10	HKCE	
CC[C@@H](C)N1C(=O)/C(=C\c2cc3ccccc3nc2N2CCCCC2)SC1=S	208274386	GURGBGBDBJDJDV-WBFOAEISSA-N	411.596	5.225	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2	226830858	HWOLHNRGSXXAGK-GTQRCTGISA-N	401.337	6.559	10	10	HKCE	
O=C(N[C@@H](Nc1ccc(N=Nc2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1	254432856	WEGBNVJTBUUKNO-XMMPIXPASA-N	424.460	5.746	10	10	HKCE	
CC[C@H](Nc1cc(Cl)cnc1Br)c1cc(Br)ccc1O	380277642	ZHUIQVIBXDDSSB-NSHDSACASA-N	420.532	5.529	10	10	HKCE	
Cc1cc(F)c(Br)cc1NCc1cc(Cl)cc(Br)c1O	708111084	NCSLTUMRPCETJG-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2cccc(Cl)c2C)C1=O	1860075150	LWIRBSMWPHRPBH-VIZOYTHASA-N	419.984	5.380	10	10	HKCE	
CCOc1ccc(CCN=NNc2ccc(C(F)(F)F)cc2Cl)cc1OCC	1860491187	KDKOCUPWXMNTQV-UHFFFAOYSA-N	415.843	6.178	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OCC)c1	1865670327	UJQCOZSPJKAJBB-SFQUDFHCSA-N	403.309	5.978	10	10	HKCE	
COC(=O)c1c(NC(=O)CCc2cccc(Cl)c2)sc(C)c1-c1ccccc1	1866093305	RCOFMUNJAXRVCF-UHFFFAOYSA-N	413.926	5.735	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc(C)c1-c1ccc(C)cc1	1866100314	CYQJOSBGWVMJQJ-UHFFFAOYSA-N	401.434	5.349	10	10	HKCE	
C[C@H](N)c1ccc(N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(Br)c1	1915509318	MHWZLYUGKQWCKY-YJBOKZPZSA-N	403.364	5.043	10	10	HKCE	
Cc1ccc(COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)cc1	2293426890	SIPFRMLYKSFYCH-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
COc1ccc2ccccc2c1C=C1SC(=S)N(c2ccc(C)c(C)c2)C1=O	2297576514	HOQXVUWHNWEAIB-UHFFFAOYSA-N	405.544	5.871	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccccc1Cl	2323865234	XMKHAXQPNALYMB-UHFFFAOYSA-N	414.766	6.048	10	10	HKCE	
CC[C@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	5791225	JNBPRNTYKIJSAO-RZKQZQCBSA-N	419.575	5.539	10	10	HKCE	
COc1ccc([C@H]2Nc3ccc(NC(=O)CCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13636461	LQKJSTIKJIWKQY-IBGGVINMSA-N	424.544	6.093	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463564	RQLFDVQFDLWXAI-VBOOUTDYSA-N	422.572	6.913	10	10	HKCE	
CCOc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14543322	LMZZFNIEIQKSLT-YZUZCNPQSA-N	402.538	5.538	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549371	YMOGFWXGYLJFEG-DHDFKREGSA-N	419.568	7.854	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	19889920	FBWYBAIXUOXLDW-GGUMNFRJSA-N	422.355	7.399	10	10	HKCE	
CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1	27153608	FUICVESKTHCIPL-UHFFFAOYSA-N	408.498	5.152	10	10	HKCE	
CC[C@@H](Nc1cc(Cl)ccc1Br)c1cc(Br)ccc1O	125341721	FBUFTJBPJNUCOP-CYBMUJFWSA-N	419.544	6.134	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2	226646805	YRKUFZZWXPURSB-QZTZHPFYSA-N	422.525	5.278	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O	226680265	VXTSSIMMENZDSL-VHSZZVNMSA-N	419.565	6.577	10	10	HKCE	
COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2	250576205	ONCMGFAFLZOGCI-RQTOMXEWSA-N	404.554	5.403	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1	1865672509	BDEHWUPLDXTMSE-SXGWCWSVSA-N	403.791	5.165	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1C(=O)O	1865673906	DVJJSXWAHYJGDB-LFIBNONCSA-N	417.292	5.274	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1	1865954543	BNUMIEWFQFEKKB-AREMUKBSSA-N	408.501	6.026	10	10	HKCE	
CN[C@H](C)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1915373718	NKBLYQOHZAMCBL-MRXNPFEDSA-N	415.400	5.998	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC2CCCC2)cc1Br	2034695643	CCSUBXQJZPCKFZ-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1Br	2079987222	WEPOHVDYSXOXFH-OAHLLOKOSA-N	421.335	5.022	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1ccc(C)c(C)c1	2326823792	VOLXFKFPOABITJ-UHFFFAOYSA-N	419.546	6.087	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	2332116734	SYKOIFULSNIMIS-UHFFFAOYSA-N	416.443	5.913	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CCC)cc1OC	2332125451	CWMAIBDKURAWCJ-UHFFFAOYSA-N	422.525	5.469	10	10	HKCE	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1	1084593	PXZCBLYMBGOZQM-RQZCQDPDSA-N	423.856	5.516	10	10	HKCE	
C1=C[C@H]2c3cc(OCCOc4ccccc4)ccc3N[C@@H](c3c[nH]c4ccccc34)[C@H]2C1	14544995	RAXXQKDXRIEOBU-ZLIGTFTASA-N	422.528	6.452	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14546410	ORVHEXYGBUMFDL-RLSLOFABSA-N	402.538	5.538	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21	20695699	APASFXXOOIHGDT-PSTGCABASA-N	411.126	6.288	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1	20712751	SCRDNEPIELXGBM-QNFHRHJVSA-N	416.348	6.378	10	10	HKCE	
CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2ccccc2Nc2ccccc2)C1=O	59397541	NAQCTZJNQDMRDR-TVJQZGFISA-N	423.607	5.901	10	10	HKCE	
CCc1cccc(C)c1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	96624604	GHNPDLGDBGAURB-DEDYPNTBSA-N	423.534	6.362	10	10	HKCE	
COc1cccc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1	210499643	XPWVLGGHEYAUFT-OBGWFSINSA-N	421.584	5.102	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226876245	ATFWECHJNPROHC-QQNWGBJXSA-N	417.593	7.261	10	10	HKCE	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cc(Br)ccc1O	379627952	NEEDZHKPJGTBGX-PBEJRMEISA-N	417.391	5.249	10	10	HKCE	
Cc1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1C	526253298	RQFZSKZNZOCILU-DEOSSOPVSA-N	416.496	5.566	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc(F)ccc3F)C2=O)cc1	1860087430	WXENUPZLXQSBMM-YBFXNURJSA-N	418.534	5.212	10	10	HKCE	
O=C1/C(=C\c2cccc(O)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865654465	VAOHHEKSBTXQTL-QPEQYQDCSA-N	415.198	5.043	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	1865664821	MPJIQBIORNSCHA-ZHZULCJRSA-N	421.327	6.132	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C(F)(F)F)cc1OC	1865669432	NMYISELCSHEMET-DHDCSXOGSA-N	424.806	5.096	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	1865676974	USLQXSGKYYAXDE-XSFVSMFZSA-N	410.945	5.957	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Cl	2079849350	VWSIGOPQFZLYMN-GOSISDBHSA-N	420.937	5.114	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(N)c2Br)C(C)(C)C)cc1C	2079986657	PZXRJNFWEDXWPX-GOSISDBHSA-N	406.368	5.453	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(CCCOC)Cc2ccccc2)c(Br)c1	2095870718	SHMFRMCPCXMJBC-SFHVURJKSA-N	419.407	5.553	10	10	HKCE	
CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1	2295905615	GUHPASDXFULSIR-UHFFFAOYSA-N	424.591	5.178	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(c2ccccc2)=NN1Cc1ccccc1F	2332100119	NAIREMVMXUSSSJ-UHFFFAOYSA-N	408.835	5.448	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1C(=O)O	2332131902	RWZISMAATQJQCE-UHFFFAOYSA-N	403.265	5.278	10	10	HKCE	
CN(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2c[nH]c3ccccc23)cc1	5328538	GEIWIXSCCQJDIP-UHFFFAOYSA-N	414.552	7.241	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	14460999	AWBPOTGKIJPWQK-WVQJBOLRSA-N	411.126	6.288	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2	14468211	QOGDSNMFKOEYEO-RNHFSVANSA-N	406.526	5.293	10	10	HKCE	
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477852	WNHQSMTWYGVZGH-VWKPWSFCSA-N	415.364	6.348	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2)c1ccccc1	14478450	GMOSRYPIVVYIBY-AXHZCLLHSA-N	411.461	5.674	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(NC(=O)CC(C)C)cc3[C@H]3C=CC[C@@H]32)cc1OC	14479665	CKGMQPKEYKULEC-MHPIHPPYSA-N	406.526	5.515	10	10	HKCE	
CCOc1ccc(NC(=O)c2cccc3c2N[C@@H](c2cccnc2)[C@H]2CC=C[C@H]32)cc1	14547443	HGNNSUOJJXSWSL-HFMPRLQTSA-N	411.505	5.559	10	10	HKCE	
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccs1)N2	14548385	YJMSLJBCHNFLRA-SVMVAKDDSA-N	414.596	5.186	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14552404	XFKDDECNWDTHFD-FBLLAGFSSA-N	414.936	6.727	10	10	HKCE	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1C	17089404	CMYJDFHNVITWMH-XSFVSMFZSA-N	412.877	5.445	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1	20716334	IHXLCIIIZWCPTE-RQTOMXEWSA-N	422.594	5.386	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717558	JJPCVRKMLPGXJB-PLXFJCCSSA-N	424.544	5.842	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1	34687843	ZXXZCPJWWOOIKJ-AQTBWJFISA-N	402.837	5.720	10	10	HKCE	
CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3O)C2)cc1	58138631	WWZBAFOYOGTTSW-BVAGGSTKSA-N	416.521	5.194	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	83319171	DSEMANJPWRIFBC-XDHOZWIPSA-N	422.487	5.162	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226747026	YVJGGHQBXZAUFF-JQYIIUTOSA-N	411.501	5.879	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc([N+](=O)[O-])cc1	253570201	NHPIGCWGPQRFJS-ONCXSQPRSA-N	413.477	5.000	10	10	HKCE	
CC[C@H](NC[C@@]1(C)CCCN1Cc1ccccc1)c1cc(Br)ccc1O	398124541	YIKMSUBHZHLZNM-RBBKRZOGSA-N	417.391	5.250	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	526301523	HHMALSDFZZVHJF-FQEVSTJZSA-N	410.926	5.525	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860075085	HNGYTJMLTFDWIG-OVCLIPMQSA-N	414.766	6.361	10	10	HKCE	
CCCCCCOc1ccc(/C=C2\C(=O)N(CCC)N=C2c2ccccc2)cc1OC	1865672136	MWJZAHKRXFJFRB-PYCFMQQDSA-N	420.553	5.694	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C)c1-c1ccc(C)c(C)c1	1865953949	ZCAJKAFYLCTJLL-MDZDMXLPSA-N	411.548	5.840	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2323680921	WUQBENFRABTNAE-ASHKBJFXSA-N	412.407	6.019	10	10	HKCE	
CCc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1	2332139517	PDGUJRUWNHFDTC-UHFFFAOYSA-N	410.517	5.396	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C(N)=O)cccc4[C@H]4C=CC[C@H]43)ccc21	13642330	RQLFHTUYKAGSCH-MVIPISOYSA-N	407.517	5.740	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	14460707	YKKCRENVBSLMHG-IMSXRSKXSA-N	423.988	5.238	10	10	HKCE	
C1=C[C@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475403	UEVWVYYFPPGCMU-GEBXHLAXSA-N	403.525	7.245	10	10	HKCE	
Clc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1	14477814	SCRDNEPIELXGBM-ACTFIFLWSA-N	416.348	6.378	10	10	HKCE	
Oc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c(O)c1	20682202	VLYIOAKHORVGNP-IPVFLDMMSA-N	413.517	5.936	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1	20687013	STTQQGNHVOPDNP-SKVJQKLOSA-N	416.609	6.928	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1cccc(Br)c1)c1cc(Br)ccc1O	36919965	RTKJRYYLAXAGMA-MEDUHNTESA-N	413.153	5.719	10	10	HKCE	
CN(C)c1ccc(CNc2c(Br)cc(Cl)cc2Br)cc1	312166908	GBOMCIPHWQWVSU-UHFFFAOYSA-N	418.560	5.543	10	10	HKCE	
CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2F)cc1	526203745	OKRXUVOYCFMRCJ-QFIPXVFZSA-N	406.432	5.088	10	10	HKCE	
CC[C@@H](NCC(C)(C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	714236713	CFXYXVMNTNXPAT-LJQANCHMSA-N	405.380	5.106	10	10	HKCE	
CCN1C(=O)/C(=C/c2cc(N=Nc3ccccc3Cl)ccc2O)SC1=S	1084194036	YFCMAZQLVWQCTQ-UFZVBGKESA-N	403.916	5.682	10	10	HKCE	
CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)cc1	1860076533	HXKJYIMUVNAYGG-XMHGGMMESA-N	411.548	5.222	10	10	HKCE	
Cc1cc(/C=C2/SC(=S)N(c3ccc(OCC(C)C)cc3)C2=O)ccc1F	1860085623	FPXQKRYQXDNDCO-YBFXNURJSA-N	401.528	5.575	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	1865672546	DJFRNAOBJJBAKH-HMAPJEAMSA-N	411.892	5.651	10	10	HKCE	
COC(=O)c1c(NC(=O)/C=C(\C)c2ccccn2)sc(C)c1-c1ccc(C)c(C)c1	1866157015	MDPWVJMEPQSVPP-DTQAZKPQSA-N	420.534	5.564	10	10	HKCE	
C[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2O)CC(C)(C)CN1Cc1ccccc1	1916253335	PCWXYYSSAXIYCR-MGPUTAFESA-N	407.385	5.478	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H]2CCOC2)cc1Br	2231454909	RCYHTBCXFWSBCG-LAUBAEHRSA-N	417.391	5.133	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC=Cc2ccccc2)cc1	2297638703	HHDZJKDZTMYHPS-JCYYIGJDSA-N	418.625	5.914	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)SC(=S)N1CNc1cccc(F)c1	2313466098	NTBWWOKIFPRNGA-UHFFFAOYSA-N	413.326	5.403	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)cc1	2318757166	XDNJVWRHAVZHHV-UHFFFAOYSA-N	408.548	5.155	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)(C)C)cc3)C2=O)ccc1O	2321647539	BNHOCBHZMODJQX-UHFFFAOYSA-N	413.564	5.494	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(C(C)(C)CC(C)(C)C)C2=O)cc1OC	2323802810	QOOIECOSHGMSDL-UHFFFAOYSA-N	421.628	5.900	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)c1	2323843036	UEUVREGURVXUDD-UHFFFAOYSA-N	403.956	5.530	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	2332116343	BWWVQOWNBUSGTM-UHFFFAOYSA-N	420.406	5.349	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O	14459384	ZTPBOFVZXKQNEK-RNHFSVANSA-N	418.537	5.099	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467925	UQTUSTXKRBUXFV-BXTJHSDWSA-N	417.336	6.120	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	14472351	VYUOFZBAMLZSFA-DPLHUUCSSA-N	419.525	5.684	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21)C1CCCCC1	14474322	NGTMWJIMVJVGKK-XLNZFTOWSA-N	402.538	5.623	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2)c1ccccc1	14546447	ZITVMAIPGGQKOB-OREGWCPLSA-N	424.544	6.188	10	10	HKCE	
Cc1cccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)c1	34988702	LZIZNFAUSZYABZ-UHFFFAOYSA-N	423.310	5.039	10	10	HKCE	
CCc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)cc1	59396607	KCKMSYYRUFMPLK-MHWRWJLKSA-N	420.353	5.123	10	10	HKCE	
O=[N+]([O-])c1c(Nc2ccc(N=Nc3ccccc3)cc2)ncnc1OC1CCCCC1	256017997	ZRLHTCCFDOPSQH-UHFFFAOYSA-N	418.457	6.255	10	10	HKCE	
CC(C)(C)OC(=O)Nc1cc(F)cc(CNCc2cc(Cl)cc(Cl)c2O)c1	687628626	JOLFDNISZKUSBV-UHFFFAOYSA-N	415.292	5.475	10	10	HKCE	
CCOc1cc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC	1858588464	HAZDWCIZBXFCLR-NXODRLGHSA-N	417.596	5.120	10	10	HKCE	
CC[C@H](C)N(C(=O)OCc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	1859911517	ZMBPTNBQEOTJDZ-KRWDZBQOSA-N	413.473	5.404	10	10	HKCE	
CCCOc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	1860085381	HUITWGPQGPMFKT-GZTJUZNOSA-N	424.374	6.188	10	10	HKCE	
O=C(O)c1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)cc1	1865675699	VZLFXJXMWJSQEP-QJOMJCCJSA-N	418.452	5.373	10	10	HKCE	
Cc1c([C@@H](C)O)ccc(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C	1901884183	DXEMCXYIJNNBPU-HSZRJFAPSA-N	402.582	5.495	10	10	HKCE	
Nc1ccc(CSc2nc3cc(Br)cc(Br)c3o2)cc1	2059857407	RBGHJWLTGDKCED-UHFFFAOYSA-N	414.122	5.227	10	10	HKCE	
C[C@@H](N)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)c(Br)c1	2077052323	QRWWBZGCGOOOTR-IIBYNOLFSA-N	403.364	5.045	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2223535116	KHWFBRSROOGLGE-QGZVFWFLSA-N	401.392	5.896	10	10	HKCE	
O=C1C(=Cc2ccc(SC3CCCCC3)o2)SC(=S)N1Cc1ccccc1	2297348126	KBXPBPXCJSXRAJ-UHFFFAOYSA-N	415.605	6.106	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)o1	2313549252	QWVXLPBQALFVPM-UHFFFAOYSA-N	401.422	5.223	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2323831723	YDCNLWIYUCDQLX-UHFFFAOYSA-N	404.645	5.307	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14460585	QXHANFUCRRMQGG-ZEVJAHDQSA-N	407.985	7.516	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC)cc1)N2	14543688	OIHLEHHHXFHCFX-STSQHVNTSA-N	410.945	6.304	10	10	HKCE	
CCc1ccc([C@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)cc1	59500820	BXXFZWYZGQRDBG-NRFANRHFSA-N	419.318	5.594	10	10	HKCE	
Cc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccccc2)C1=O	210734256	PXBUZZGZPKBYOJ-CAPFRKAQSA-N	424.591	5.395	10	10	HKCE	
CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226738838	PJVYMZRAJVFCTI-INNMJMHTSA-N	411.545	6.879	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1N=Nc1ccc(Oc2ccccc2)cc1	1084529766	KGDMHHMUPCKLNK-UHFFFAOYSA-N	403.663	7.016	10	10	HKCE	
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	1084553899	QDFAOSDWQJFIDZ-UHFFFAOYSA-N	408.914	5.811	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1	1860085658	IEYCTGJOMHFYIY-VCHYOVAHSA-N	419.955	5.486	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccccc2Cl)cc1	1865665050	YURDAJSRIOYVBH-RCCKNPSSSA-N	402.881	5.492	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CCC)cc1OCC	1865666837	UYMLYDHQYMLATD-LTGZKZEYSA-N	406.526	5.456	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OCC)c1	1865669501	MKJYMWYLSMGSIQ-LTGZKZEYSA-N	406.526	5.456	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)/C2=C/c2cccnc2)cc1	1865673300	XWLBHAAYUXCLDI-WOJGMQOQSA-N	424.287	5.232	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(Cc2c(F)cccc2Cl)N=C1CCC	1865674539	KVUDGWSNFKKOER-SAPNQHFASA-N	414.908	5.850	10	10	HKCE	
CN(C)c1cccc(NC(=O)c2ccc(COc3cccc(Cl)c3Cl)cc2)c1	1872868449	FLJBCIPZLNSCSI-UHFFFAOYSA-N	415.320	5.891	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(N)c2Br)C(C)(C)C)cc1C	2080051699	CNHJNELHTPDNEB-AWEZNQCLSA-N	420.273	5.205	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1nscc1Br)c1cc(Br)ccc1O	2186651996	MECKGWGGVOJUKP-QPUJVOFHSA-N	420.170	5.176	10	10	HKCE	
O=C(COc1ccccc1)N[C@@H](C=Cc1ccccc1)c1c(O)ccc2ccccc12	2297336328	DOZJYTVHXGJEEI-DEOSSOPVSA-N	409.485	5.495	10	10	HKCE	
CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1	2313683038	QEQPSUYIBXCBLW-UHFFFAOYSA-N	420.516	5.025	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)ccc1Br	2321744069	MXCKKTXSFPDUAA-UHFFFAOYSA-N	408.317	5.302	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323852694	QZFJXSRIPOCHOI-UHFFFAOYSA-N	423.525	5.875	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	2332104719	KSOHGYDILMXJFQ-UHFFFAOYSA-N	424.125	5.952	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1	2332134308	ITQOHCYHPNMOQE-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)c(F)c2C)c(O)c1Br	2380808080	IVHRVUJJZSNLTB-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13636013	BWTCIPRBTGXEFJ-OARDWFSCSA-N	411.545	6.533	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14550322	SMFAHOCUPJIVPD-ZEVJAHDQSA-N	424.544	5.494	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1	16250036	PJBSXDWCBZLVSE-XDHOZWIPSA-N	411.288	6.368	10	10	HKCE	
CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	36082349	QTOCPACSSHFGOY-DOQJBMMISA-N	412.327	6.128	10	10	HKCE	
CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3O)C2)cc1	58138641	WWZBAFOYOGTTSW-ZEQKJWHPSA-N	416.521	5.194	10	10	HKCE	
Oc1c([C@H](Nc2nccs2)c2cccc(Br)c2)ccc2ccccc12	59386872	VPVBDCFEQUGXPL-GOSISDBHSA-N	411.324	5.966	10	10	HKCE	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	96505384	VMCSTSXOIOUTTR-RCCKNPSSSA-N	419.527	5.893	10	10	HKCE	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O	210691968	CLXNNHSWPGDFRO-HYXPQVPDSA-N	422.575	5.171	10	10	HKCE	
Cc1ccc(Cl)cc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860075490	YJXFFYZQEQAAKZ-VCHYOVAHSA-N	403.956	5.841	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2cc(Br)c(Br)s2)cc1	2163132977	IGSJPTXVCSNQEU-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(c2cccc(Br)c2)C1=O	2296674125	VUOUYJYRMRAHGD-UHFFFAOYSA-N	416.365	5.801	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2cccc3ccccc23)cc1	2313500927	KFUUBFAATHLZHU-UHFFFAOYSA-N	418.496	6.225	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccccc2)sc(C)c1-c1cccc(Cl)c1	2314777306	YIOFAOZYCPDFGZ-UHFFFAOYSA-N	411.910	5.815	10	10	HKCE	
Cc1ccc(CNc2cccc(NC(=O)OC(C)(C)C)c2)c(O)c1Br	2327624965	WYEXHFCLCXCNJX-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
Cc1ccc(CN(C)c2cc(Cl)cc(Br)c2)c(O)c1Br	2380749786	RYKORVICBXDSSM-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2	14548675	JCWJZXUHGZNCLZ-JBYIUTFZSA-N	416.612	5.385	10	10	HKCE	
Cc1cc2c(n1-c1ccc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc1)CC[C@@H](C)C2	20532492	SSVHYWMEZXNGEW-NJDAHSKKSA-N	421.629	5.008	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	33413808	FGDRHTHHJQJIKO-XSFVSMFZSA-N	424.591	5.096	10	10	HKCE	
O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1	83315488	QBBKOHGSYALEFF-STZFKDTASA-N	421.518	5.811	10	10	HKCE	
COc1ccc([C@@H](C)NC(=S)N(c2ccccc2)c2ccc(N)cc2)cc1OC	243106607	JECXAGNTOJCYFB-MRXNPFEDSA-N	407.539	5.060	10	10	HKCE	
CCc1cc(Br)ccc1NCc1cc(Br)cc(F)c1O	715736310	HSKLZMBGRGEVFX-UHFFFAOYSA-N	403.089	5.231	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	1865658215	DTCLUEQWXSGHGD-FXBPSFAMSA-N	414.936	6.472	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(CC)N=C2c2ccccc2)cc1OCC	1865666783	RTIGTKOSWPBXTO-FXBPSFAMSA-N	406.526	5.304	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1	1865668293	PYTJNHRFSMWBHR-PLRJNAJWSA-N	410.517	6.008	10	10	HKCE	
CC(C)c1c(C(C)(C)C)nn(Cc2cccc(C(F)(F)F)c2O)c1Br	2079737726	ZTLQUSWOONTRDY-UHFFFAOYSA-N	419.285	5.839	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)CC2CCOCC2)c(Br)c1	2095837985	XXXXWFQAPMRVRK-KRWDZBQOSA-N	417.391	5.163	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(Br)c1	2100223373	PXXVPBQDENGUIP-ONGXBYRLSA-N	417.391	5.289	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cc1Cl	2180955681	CGGBRZFXGGFBCM-NSHDSACASA-N	414.293	5.255	10	10	HKCE	
COc1ccc(Br)c(CNc2cccc(Cl)c2Br)c1O	2236051317	RFRYDRFHIPYQGC-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
Cc1cccc(NCN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1C	2296653992	FNPGPHQDPJGWKN-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1	2296740700	MLRLAWKJTIJIQE-UHFFFAOYSA-N	420.871	5.864	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3C)C2=O)c1	2321569934	CSOGIUQIKCKDCN-UHFFFAOYSA-N	403.956	5.843	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1	2321616854	MVGGOYMBAACHHB-UHFFFAOYSA-N	408.548	5.011	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2323681155	IZDUZMCJANWNPR-ABHRYQDASA-N	411.514	5.731	10	10	HKCE	
FC(F)(F)c1cc(N=NN(Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1	2330147789	RRGWHQIMOXONNS-UHFFFAOYSA-N	423.360	7.430	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(OC)ccc2ccccc12	2332113665	VCWYJKDMCNJROQ-UHFFFAOYSA-N	404.897	6.088	10	10	HKCE	
CC[C@H]1CCCCN1CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	6877894	IDYFQSGTVGZMCQ-QHCPKHFHSA-N	407.602	5.049	10	10	HKCE	
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2	9805691	DEADXKUXPPWZRI-DEYYWGMASA-N	418.718	5.716	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	13644290	OSTMZAHEKDUSMO-YZUZCNPQSA-N	401.554	5.205	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463444	DZKILBOXYMCIQS-HWBMXIPRSA-N	402.538	5.109	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470041	HEFNWMJAQKCSEZ-JCYRPKCISA-N	424.544	5.842	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14543767	MSUYQDTUYGTWJC-ZEVJAHDQSA-N	416.565	5.928	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	20706293	CGUOCMBTKOZVBO-ZOCZFRKYSA-N	414.889	5.490	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc(Cl)c1	39372913	KKERNZFWTVPSTE-JYBIWHBTSA-N	402.925	5.745	10	10	HKCE	
COC(=O)c1cccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1	40867580	QWDRBLGFEJTIIQ-UYRXBGFRSA-N	405.500	5.032	10	10	HKCE	
CCOC(=O)c1ccc(N[C@H](c2ccco2)c2ccc3ccc(C)nc3c2O)cc1	54619314	NNUIZBGZCLCOTR-QFIPXVFZSA-N	402.450	5.220	10	10	HKCE	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)o1	58832989	FCOUXUNINIKZGR-BKUYFWCQSA-N	419.412	5.362	10	10	HKCE	
O=C1/C(=C\c2ccccc2O)SC(=S)N1c1ccc(Oc2ccccc2)cc1	96505399	RCYNUENOMHONQH-XSFVSMFZSA-N	405.500	5.590	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860074979	CNELLXDHSKKRAO-QGMBQPNBSA-N	416.354	6.552	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1	1860076598	OANFWFCDFASIMB-KGENOOAVSA-N	410.608	5.551	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1	1860087225	IREMKCYCKZHZBF-GZTJUZNOSA-N	407.482	6.235	10	10	HKCE	
CCCOc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1CC	1865674573	MQSIQDGPSLZBBZ-FOWTUZBSSA-N	403.309	5.978	10	10	HKCE	
CCCCOC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1874167893	PDGZONKDMRUXSD-UHFFFAOYSA-N	418.537	5.289	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(Br)c1	1915438241	OYJULISRZJYORD-QFBILLFUSA-N	417.391	5.304	10	10	HKCE	
CCN[C@@H](C)c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(Br)c1	2095877587	NLWRWCDSBFHEMD-FXAWDEMLSA-N	417.391	5.305	10	10	HKCE	
CCc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc(C)cc2)SC1=S	2296754817	COBKQIGGHWGDBN-UHFFFAOYSA-N	424.591	5.178	10	10	HKCE	
O=C1C(=Cc2cc(Br)ccc2F)SC(=S)N1C1CCCCC1	2297350546	BJVSAYKWASUMHK-UHFFFAOYSA-N	400.338	5.122	10	10	HKCE	
O=C1C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1C1CCCCC1	2314489603	TUIRCKWLJQKCNB-UHFFFAOYSA-N	420.559	6.029	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccccc1OC(C)C	2332133767	YUWGXELCLBAFLB-UHFFFAOYSA-N	414.908	5.848	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCC3)cc1	3065980	BCWXKZJAIXOSAC-UHFFFAOYSA-N	422.550	5.509	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	14464880	KKAKMUZPCJDASB-SXWKCWPCSA-N	400.909	6.419	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467605	UXMGBOVNICWEOZ-WAWZGNHOSA-N	417.336	5.664	10	10	HKCE	
CCCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CCC)Sc2ccc(OC)cc21	20807361	AIPWUINGUYKDCP-UHFFFAOYSA-N	405.587	6.175	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccccc2)cc1	34139123	JGOQWXZINHJDBG-FXBPSFAMSA-N	413.948	7.109	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3ccccc3)c(O)c2n1	54619494	LEJNPHMHQKKEGY-OAQYLSRUSA-N	408.423	6.469	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2SC=C3Sc4nnc(C5CCCCC5)n4N32)cc1	103409265	XHZNBTFZKAFTGV-FQEVSTJZSA-N	413.616	5.460	10	10	HKCE	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226701691	BPRZLPAZPVOYLE-PQNGQFLHSA-N	422.355	7.399	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226872984	KABMSHVAWOAWIJ-VHSZZVNMSA-N	415.533	6.090	10	10	HKCE	
Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2cc(Cl)cc(Cl)c2O)c1	398971980	AQUURUWYMPMBLZ-UHFFFAOYSA-N	411.329	5.644	10	10	HKCE	
Oc1cccc(Br)c1CNc1c(Cl)cc(F)cc1Br	706828422	CSHFUNZWZZCQCP-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865670378	XCTCGBYJHLPHOM-YZSQISJMSA-N	424.544	6.074	10	10	HKCE	
CC(C)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	2034696063	FRIFYJXUJFJWBC-UHFFFAOYSA-N	403.408	6.000	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1	2079031745	RDMYWLLVZMSAOT-MRXNPFEDSA-N	423.351	5.291	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	2297533735	QJUJXTUBSYXZJY-UHFFFAOYSA-N	421.509	6.409	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2ccc(CN(CC)CC)cc2)SC1=S	2321569925	WLPLVXZPWZRUJM-UHFFFAOYSA-N	410.608	5.497	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2321664034	PMNPTOQISYQPEB-UHFFFAOYSA-N	422.402	6.697	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(OC(F)(F)F)cc1	2321734429	VUHVJZGNYNOITP-UHFFFAOYSA-N	415.845	5.644	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3c(F)cccc3Cl)C2=O)cc1	2332100194	VGAVTEVDZKGJCW-UHFFFAOYSA-N	404.872	5.618	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2c2ccc(OC)cc2)cc1	2332117506	OTEROBYZCJZZCV-UHFFFAOYSA-N	406.526	5.304	10	10	HKCE	
CC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cc(Br)ccc1F	2332129678	BHPGGCGBIILXGL-UHFFFAOYSA-N	407.670	5.043	10	10	HKCE	
COc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CC[C@@H](C)C2	2909540	QHSLRSNNWYGKSX-OAHLLOKOSA-N	407.539	5.141	10	10	HKCE	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)c1	6898488	WCRNQNSYYFNUAI-LXIYXOSZSA-N	405.679	5.837	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2	14458112	QXQNEPALSHPYQS-NXMSCROESA-N	408.973	6.830	10	10	HKCE	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1	14479945	IHXLCIIIZWCPTE-WRALFONMSA-N	422.594	5.386	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@@H](c2c[nH]c4ccccc24)[C@H]2CC=C[C@H]32)CC1	14544932	LSMRAQVITBOAIN-JJHGTGHCSA-N	411.549	5.867	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2	14548302	SOUFZDXNVHOSST-IPVFLDMMSA-N	412.533	5.854	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1O	20694142	ZKZIDJDQPNWSLI-PMAPCBKXSA-N	418.537	5.290	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C)cc3)N2)c1O	53363297	JJSCIXJUHWUNBI-ZEQKJWHPSA-N	416.521	5.330	10	10	HKCE	
CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53364401	VTSDQDUDNJIKOD-ISKFKSNPSA-N	424.903	5.806	10	10	HKCE	
Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1	53364939	NGNRASULLBIOSE-FDDCHVKYSA-N	424.859	5.136	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	226730137	BKUDZDQAJLFLRS-ZOCZFRKYSA-N	400.862	5.100	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226848092	NHBQZWSNVHRRKJ-CWHUZLPRSA-N	424.588	6.938	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(C4CCCCCCC4)C3=O)c2c1	1858586895	XERXHWGLWOGHCO-YBFXNURJSA-N	400.569	5.491	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	1865659041	ZBPXTIGWPMVKSN-PDGQHHTCSA-N	404.407	5.467	10	10	HKCE	
CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2C)cc1	1865676565	KAWHRHGIIAVZSP-BUVRLJJBSA-N	414.480	5.515	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865676666	JMCPHHFKHXUUFV-OQLLNIDSSA-N	404.253	5.093	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(F)cc2O)sc(C)c1-c1ccc(C)c(C)c1	1866207092	DETHSLMSBNCDHP-UHFFFAOYSA-N	413.470	5.224	10	10	HKCE	
CCOC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079977302	KHDCKIFXUOXAAF-IBGZPJMESA-N	402.922	5.303	10	10	HKCE	
CCc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	2313682868	MMUXHCUQOYTMPL-UHFFFAOYSA-N	411.505	5.395	10	10	HKCE	
O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1cccc(Br)c1	2321614880	MNMJOFQQSILUCJ-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(Cc4ccncc4)cc3)C2=O)c1	2321710514	LIEHSHIQDYTUHQ-UHFFFAOYSA-N	418.543	5.092	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1	2323681302	NINZZJBSLSBCKF-HGKSCXNLSA-N	414.640	5.559	10	10	HKCE	
C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S	2323767072	OIDYVZPFWYNETI-NSHDSACASA-N	422.344	5.551	10	10	HKCE	
O=C1C(=Cc2c(F)cccc2Cl)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1	2332104057	JGDDCGZCUADBRE-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1cccc(OC)c1OCC	2332117474	LLPKANYWYMMJOT-UHFFFAOYSA-N	412.917	5.329	10	10	HKCE	
O=C1N=C(N2CCCCC2)S/C1=C/c1cn(Cc2ccccc2)c2ccccc12	1414830	YCRXKWVLFZSXMK-PXLXIMEGSA-N	401.535	5.146	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14466534	OWQGXZQRYZRYDE-DFIYOIEZSA-N	417.936	6.624	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469978	DZMZLYGUBYBUBG-AOJNWGRGSA-N	401.937	7.054	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2)c1ccccc1	14474805	ADNVWXUEJWCVGM-YZIHRLCOSA-N	410.517	5.885	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	14549553	MVIHFJPKVULNCX-IMSXRSKXSA-N	420.509	5.453	10	10	HKCE	
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1	40945504	WPKSSEPWROQEHD-UHFFFAOYSA-N	410.520	5.163	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NC3CCCCCC3)C2=O)cc1	205950850	JDLSOAXBSCCJEN-PTGBLXJZSA-N	403.526	5.033	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@@H]3C=CC[C@@H]32)c1	226866329	JOOXCKVNWFHVAA-UMFSSWHCSA-N	408.545	6.691	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(N(C)C)cc2)cc1	526254526	SAQRPMPOMZDYOC-VWLOTQADSA-N	412.533	5.735	10	10	HKCE	
COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1	1084533146	MKZGGYQVPKWXEN-DXCFPWGSSA-N	416.506	5.637	10	10	HKCE	
Cc1cc(/C=C/C(=O)NCCC2=CCCCC2)c(C)n1-c1ccc(C(F)(F)F)cc1	1858130837	PQZIEUMPSZUBFA-MDWZMJQESA-N	416.487	6.133	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(C3CCCCCC3)C1=O)cn2C	1858586459	KLOAMUGODGTKLM-YBFXNURJSA-N	400.569	5.111	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)c1	1860074865	UJTGZPOMOYRVPN-FYJGNVAPSA-N	422.575	5.399	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	1860076906	YCGWDLUMSAMPGA-KGENOOAVSA-N	410.608	5.551	10	10	HKCE	
Cc1cc(O)ccc1N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	1860084297	JRUNXNJJHLMKGG-VIZOYTHASA-N	424.316	5.008	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3OC(C)C)C2=O)c1	1860086224	RDEHUSIZTVWXAN-XSFVSMFZSA-N	413.564	5.668	10	10	HKCE	
COc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	1860483000	YUKZUWQHYZCXKQ-CYYJNZCTSA-N	420.944	5.755	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3ccccc3Cl)C2=O)c1	1865664851	NYYKSSAXKJJBDO-JCMHNJIXSA-N	400.909	5.787	10	10	HKCE	
C[C@H](N)c1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1	1990442121	DMQAGODFGFAIAM-IBGZPJMESA-N	409.524	5.123	10	10	HKCE	
Oc1cc(Br)ccc1Cn1nc(C2CCCCC2)cc1Br	2070048471	JLLYEJCVXQREPZ-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C=O)c2Br)C2(C)CC2)cc1C	2080003118	IKMRGBDHNZSIHX-SFHVURJKSA-N	417.347	5.222	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2cc(C)c(C)cc2O)c1Br	2080025038	MNIGREOVNNODKM-ZDUSSCGKSA-N	423.351	5.052	10	10	HKCE	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)[C@H]1C(C)(C)C	2192489622	WYNDAEGJNQPWNU-WBVHZDCISA-N	417.377	5.213	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(CCCOC)Cc2ccccc2)cc1Br	2231454922	YXTSTSMSDLLXJJ-GOSISDBHSA-N	419.407	5.380	10	10	HKCE	
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)C=Cc3ccccc3Cl)cc12	2297332706	OYYOAIKNBTYXHP-UHFFFAOYSA-N	405.929	5.839	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1OC	2321591257	FYALDXMKYPKMNH-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2321592594	YNUOJWQWCXHMJY-UHFFFAOYSA-N	422.402	6.742	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	14465684	ZBBQYALDNISNMV-XFGYDDDFSA-N	408.929	5.075	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21	14546308	ACEBKECZKZZDAW-UZINWLIJSA-N	413.517	5.980	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCCC3)cccc2[C@@H]2C=CC[C@H]21	20748676	CTJIDYFZTJSCEX-UMEGOILYSA-N	416.565	5.928	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	53362851	KQQKEJJUJBXMPM-GGAORHGYSA-N	411.332	6.230	10	10	HKCE	
CC(C)OC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1	54620431	XDMVCNYEBQWYNR-QFIPXVFZSA-N	413.477	5.102	10	10	HKCE	
Cc1cc(C)c(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)c(C)c1	54621079	OSQLZMQNMKDLCB-DEOSSOPVSA-N	400.497	6.515	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C\Nc2ccccc2Br)SC1=S	102985158	IMTMTPVPHLHOAE-PILJQMSFSA-N	419.369	5.324	10	10	HKCE	
Cc1cccc2cc(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCCCC3)nc12	208276768	YMJJFPIJJZVKCR-QGOAFFKASA-N	411.596	5.143	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	226704586	WYRPFBXSRVYQLL-DXBVXKBHSA-N	404.598	6.784	10	10	HKCE	
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	1858589607	AXIZNTMHWJHNBB-WZBTVFNWSA-N	414.365	5.368	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OC)c1	1865665295	LXQOJNQZRBKTHK-KGENOOAVSA-N	406.526	5.312	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(CCC)N=C2c2ccc(OC)cc2)cc1	1865670217	OTEROBYZCJZZCV-PTGBLXJZSA-N	406.526	5.304	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(Br)c(Cl)c3)c2C)cc1	1874167466	MKYWTMPKZMUUEK-UHFFFAOYSA-N	417.734	6.071	10	10	HKCE	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2ccc(Br)cc2O)c1	1925131792	KQWAEKVQUUEDLC-ZDUSSCGKSA-N	421.335	5.353	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	2034827863	QICOGWHDDXCASP-QGZVFWFLSA-N	401.392	5.752	10	10	HKCE	
C[C@@H](O)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)c(Br)c1	2077087209	FCTYBMGTYOMEDT-IERDGZPVSA-N	404.348	5.078	10	10	HKCE	
CC[C@H](NCc1cscc1Br)c1cc(Br)ccc1O	2097799020	PKOWVDSSWYTSSK-ZDUSSCGKSA-N	405.155	5.220	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)C2CCC2)c(Br)c1	2223535115	KHWFBRSROOGLGE-KRWDZBQOSA-N	401.392	5.896	10	10	HKCE	
CN1C(=O)C(=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S	2293512337	IFBQRPBMUMZTHM-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)c1	2321683164	JAZXPACPRMCYGE-UHFFFAOYSA-N	422.453	5.070	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccc(F)cc3F)C2=O)cc1	2321755761	HNSGEUBUDRSFOE-UHFFFAOYSA-N	418.534	5.212	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3ccc(C(C)C)cc3)C2=O)c1	2332104244	UJDPOBKRYSQTSM-UHFFFAOYSA-N	408.545	6.257	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC	2332125781	PRFFZJDFAMLSRY-UHFFFAOYSA-N	408.498	5.079	10	10	HKCE	
COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1nc(C)c[nH]1	12159610	LAVZPTPNCLEQQC-NRFANRHFSA-N	409.555	5.287	10	10	HKCE	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	13603089	BNCDOZYZARUHDZ-JCMHNJIXSA-N	402.881	5.725	10	10	HKCE	
Brc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	13638496	HYMZOKIHSBSHSX-HFMPRLQTSA-N	418.334	7.068	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(N)=O)cc4[C@H]4C=CC[C@@H]43)ccc21	13642262	XXAFCHFACQILFH-GCOVDLRRSA-N	407.517	5.740	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14464194	YASOENKAOSBJHZ-LLGBQNBKSA-N	422.572	6.683	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473321	CGUOCMBTKOZVBO-QYWGDWMGSA-N	414.889	5.490	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547088	SHWBITLIHFGLDY-PDSXEYIOSA-N	417.336	5.196	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1	14550331	UGQFYUCFTBJTQR-WRALFONMSA-N	410.517	5.452	10	10	HKCE	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O	20702101	DEWXQNSZZGERNA-SXGZJXTBSA-N	404.293	5.754	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21	20708124	PXGUXZYCEVQNBH-FKCDAAJZSA-N	422.572	6.729	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	32189187	OTACQGMJJDPBBO-ZJNRKIDTSA-N	420.734	5.946	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1Cl	33414446	CIOFDKKWAGKXNJ-ZSOIEALJSA-N	421.305	5.064	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1	39859091	VQKOXFBDYKEFFT-FJEAZPSFSA-N	424.547	5.899	10	10	HKCE	
CC(C)CN(C)C(=O)c1ccc(/N=N/[C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)cc1	97956087	PPCFLDXSMKVOSH-BDSWOBDFSA-N	418.419	5.211	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	226678669	BDWIUPAFSPORMH-WWDWLDGVSA-N	423.600	7.648	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226806309	CIBZGPSMXNRKIV-PQNGQFLHSA-N	402.519	5.314	10	10	HKCE	
CCN[C@@H](C)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1Br	384142047	ZOLNFXUTHRTNPQ-PKOBYXMFSA-N	417.391	5.163	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1F	1865673780	WRSFJZCUJHAMFS-CXUHLZMHSA-N	407.670	5.043	10	10	HKCE	
Cc1ccccc1COc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)cc1	1865676909	QVSNGDXWCUBPMJ-ONUIUJJFSA-N	424.544	5.860	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2ccccc12	1891683172	PPYGUBHJCGJJLS-UHFFFAOYSA-N	400.912	5.418	10	10	HKCE	
CCN[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc2c(c1)CCN2CC	1999528052	WAAHCCNYCGUPAD-QHCPKHFHSA-N	423.601	5.157	10	10	HKCE	
Cc1cc(C=C2N=C3CCCCCN3C2=O)c(C)n1-c1ccc(Br)cc1	2040465650	ZKZZRKDREJYGPS-UHFFFAOYSA-N	412.331	5.012	10	10	HKCE	
CCCNCc1ccc(N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1Br	2100218942	HEEWSHAGCVAFEA-VXKWHMMOSA-N	417.391	5.133	10	10	HKCE	
CCCN[C@H](c1ccccc1O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1	2283651455	HETYPMSAKZNHBI-BJKOFHAPSA-N	404.510	5.101	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C)NCCC(c1ccccc1)c1ccccc1	2313681434	DTJGNJCLJQVIEA-UHFFFAOYSA-N	409.533	5.495	10	10	HKCE	
CCOC(=O)c1c(NC(=O)C=Cc2ccc(C)cc2)sc(C)c1-c1ccccc1	2314738351	FVCNPLCJRKFGLN-UHFFFAOYSA-N	405.519	5.861	10	10	HKCE	
COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2ccc(Cl)cc2Cl)cc1	2332105002	NNORXMIUHGAVBQ-UHFFFAOYSA-N	424.287	5.232	10	10	HKCE	
CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCC)cc1	2332122270	LODOFHSGWJWGLI-UHFFFAOYSA-N	413.315	5.434	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(OC)cc1OC	2332140460	HTIBFWHDYHVRIY-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
Cc1cc(/C=C2\SC(Nc3ccccc3Cl)=NC2=O)c(C)n1-c1ccccc1	5587476	BQNUTLUZYGGVTI-MOSHPQCFSA-N	407.926	5.830	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2)c1ccccc1	13636420	RVFYONGXHULWEF-DPZBCOQUSA-N	424.544	6.188	10	10	HKCE	
Clc1cccc([C@@H]2Nc3c(OCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1Cl	14477222	RKWOZBBYYWGFQF-HOOSLVGPSA-N	422.355	7.399	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	20703489	MPPHOJPSOHIDEB-MVERNJQCSA-N	424.544	5.794	10	10	HKCE	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710459	QXMSPRFFVAPSOQ-SWYRRKHMSA-N	412.489	6.309	10	10	HKCE	
COc1ccc(N[C@H](c2cccs2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621713	YXALTMAYQMUFLJ-NRFANRHFSA-N	410.926	6.174	10	10	HKCE	
Cc1ccc(C)c(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1	59382286	OOIRLQGLLZRDLZ-SXGWCWSVSA-N	423.390	5.881	10	10	HKCE	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1	83302885	MCQJHSNHPLBEAG-PXLXIMEGSA-N	405.494	5.086	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)c(Cl)c4)c2c1N)CCCC3	96586978	YOLKYFUOWUWNCU-UHFFFAOYSA-N	421.349	5.908	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	100374879	MPSGNYOKGAMJDF-FAHANXHHSA-N	418.540	6.569	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226637643	LYKAPODVLXHMMH-DBXWQHBBSA-N	400.316	5.301	10	10	HKCE	
CCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226695398	JFVQWFJVJNMVOU-PRVBGKCFSA-N	424.544	6.441	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	226866483	CYPYGJSDUIIDKA-LKBUQDJMSA-N	411.889	5.813	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)s1	251232694	MYYBWSCEISFWAM-PIBDYAPNSA-N	414.574	6.155	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)c(O)c2)c1	526255930	WFFRCGHLOXHOIU-HSZRJFAPSA-N	401.462	5.080	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc1	1865658198	DCTFDXUULIINPG-PDGQHHTCSA-N	420.862	5.982	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)cc2)N=C1c1ccccc1	1865679566	UDANVWCCOQEJDJ-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3[nH]2)cc1	1872737541	SWNPEWGAAOZXLX-SFHVURJKSA-N	412.537	5.567	10	10	HKCE	
CCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1OCC	1874138274	PPLJEQRZGKFOGI-UHFFFAOYSA-N	408.498	5.152	10	10	HKCE	
Oc1cc(Br)ccc1Cn1ncc(C2CCCCC2)c1Br	2070288006	JUZIPTBECYPOOK-UHFFFAOYSA-N	414.141	5.210	10	10	HKCE	
O=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccccc1	2297616861	QCMRSOZFOXIOES-UHFFFAOYSA-N	421.518	5.811	10	10	HKCE	
CCOc1cccc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O	2321669682	GGOHDTTUGDJNSF-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(N3CCCCC3)cc2)C1=O	2321685118	FYQRHHASNONURO-UHFFFAOYSA-N	410.564	5.091	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321721388	VJHHROIMNSFGJM-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2ccc(Cl)cc2Cl)cc1	2332104955	INKYRSMODXMKAI-UHFFFAOYSA-N	403.309	5.288	10	10	HKCE	
CCC1=NN(c2ccccn2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1	2332131899	RQPCLBLDDRGOLG-UHFFFAOYSA-N	417.896	5.510	10	10	HKCE	
Oc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c(O)c1	13640283	OBYUCHCIGLIUJL-VHFRWLAGSA-N	413.517	5.936	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)s1	14456459	ICZVIBBCXFCREY-NJNPRVFISA-N	414.596	5.058	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	14465390	IVOTVVCALWYQOV-PLXFJCCSSA-N	417.936	6.624	10	10	HKCE	
CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467112	GZXFHBKBZPNCEQ-IQUTYRLHSA-N	404.293	5.702	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1OC	14479454	QIRXAVBXZRZIBZ-AXHZCLLHSA-N	418.537	5.156	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(NC(=O)C(C)C)cc2[C@H]2C=CC[C@@H]21	14544471	YQMCBZDYJQJYFP-ISJBWFOZSA-N	412.533	6.269	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14546878	JRJTUXUSVXTPNF-LLJLJFOGSA-N	416.392	7.779	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552058	ZSQOBVKHEWAYEM-IMSXRSKXSA-N	418.606	6.251	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)cc1	20071051	PJJBDLPWNGRRFT-BWKNWUBXSA-N	416.477	5.042	10	10	HKCE	
O=C1/C(=C/C=C\c2ccccc2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1	33316952	KRISLZBPZQUQSR-WLTDFXCXSA-N	403.290	5.221	10	10	HKCE	
O=C(Nc1cccc(Cl)c1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	59462433	QPXDEEWBKBNMGI-NBJYBMASSA-N	402.925	5.745	10	10	HKCE	
O=S(=O)(c1ccc(Nc2ccc(N=Nc3ccccc3)cc2)nc1)N1CCCCC1	96319504	FBFINWONVXUHMP-UHFFFAOYSA-N	421.526	5.415	10	10	HKCE	
CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4Cl)c2c1N)CCCC3	96586974	UBMMXOZGTHQERP-UHFFFAOYSA-N	421.349	5.908	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2sccc2C)cc1	1865670921	ZIWNGZLTKHAQII-DEDYPNTBSA-N	422.937	5.549	10	10	HKCE	
COc1cc(/C=C/C(=O)Nc2ccc(N)cc2)ccc1OCc1ccc(Cl)cc1	1865907091	DNVDACGHONSAFZ-WLRTZDKTSA-N	408.885	5.162	10	10	HKCE	
Cc1ccc(C)c(COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1	1871287878	YLJZGVBJDPGYCE-CIAFOILYSA-N	411.592	5.740	10	10	HKCE	
CC(C)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1	1873893351	PPEAJDKSERVCCR-UHFFFAOYSA-N	408.457	5.090	10	10	HKCE	
COC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1Cl	2080026523	XLUXNHGXGHZJLU-GOSISDBHSA-N	406.954	5.579	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2scc(Br)c2Br)cc1	2163137977	ITMDFRBFASRUOP-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)C(=Cc2oc3cc(O)ccc3c2Cl)SC1=S	2296731177	BGJQGOFADUKWBU-LLVKDONJSA-N	415.923	5.754	10	10	HKCE	
Cc1cccc2cc(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCCCC3)nc12	2314648376	YMJJFPIJJZVKCR-UHFFFAOYSA-N	411.596	5.143	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1OCC	2318684285	XQDYWPWHNMWUIS-UHFFFAOYSA-N	417.527	5.025	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	2321664083	DUWNMPOVEQYBFA-UHFFFAOYSA-N	420.346	5.355	10	10	HKCE	
CC(C)(C)c1ccc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1	2321672116	IXDFRKBMXQRNCB-UHFFFAOYSA-N	421.509	6.409	10	10	HKCE	
CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116446	OPSSYTYCDQSFNA-UHFFFAOYSA-N	400.453	5.206	10	10	HKCE	
Cc1scc(CN(C)c2ccc([C@@H](C)N)c(Br)c2)c1Br	2369644402	FPPPFFAITJENJB-SECBINFHSA-N	418.198	5.238	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467607	YNXAMIFHSZFXJY-AFBRZQFHSA-N	417.336	5.665	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCCC1	14471945	BXZAJAAGQWUZIN-CNNODRBYSA-N	403.482	5.047	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476386	AUNNXHXFOVYIOV-CEYNDMKZSA-N	422.355	7.399	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477831	ZRTWYEQNNRUYIB-GCKMJXCFSA-N	401.337	6.414	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549307	CVSXHFBKJOFHIU-MBEZDYHHSA-N	418.540	6.521	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1	14552245	NWROXHYAIKXOSA-SLSDLSHTSA-N	418.606	6.107	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21)C1CCCCC1	20699662	MYEXDFUMCNPYMS-ZFGGDYGUSA-N	420.984	6.571	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20704504	YHOVTCIWUWWTBL-QEEYODRMSA-N	411.889	5.213	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2ccc(N(C)C)cc2)c(Br)c1	37248576	ZCYKEOPNROABAT-LBPRGKRZSA-N	412.169	5.759	10	10	HKCE	
COc1ccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2O)cc1Cl	54621720	BUDNBXPLMGAJNW-JOCHJYFZSA-N	422.887	6.251	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	210228351	RIQRJJOAYCKEOZ-CPNJWEJPSA-N	405.500	5.032	10	10	HKCE	
C[C@@H](c1ccccc1)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2ccccc2c1	248070918	AWNLUTKPRPTMGQ-NRFANRHFSA-N	408.545	6.309	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	1858588518	KBLAEKDUISBREN-PVCXJFPSSA-N	401.597	5.500	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2cccc(OC(C)C)c2)SC1=S	1860073474	IOVKGZKRKXQNRT-WOJGMQOQSA-N	403.956	5.841	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1	1865674849	BDUSJAOBLNLWNF-NLRVBDNBSA-N	409.533	5.828	10	10	HKCE	
CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OC(C)C	1865675963	JTVQLYYDVGKIPD-QGOAFFKASA-N	413.315	5.433	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccc(Cl)cc1	1865679716	CFFCXWADMIVRNX-ZHZULCJRSA-N	403.825	5.083	10	10	HKCE	
O=C1C(=Cc2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccccc1	2297336965	LZHZESDBVZTVMR-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321665877	IYEGERFQEPVHCS-UHFFFAOYSA-N	418.381	5.978	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(CCC2=CCCCC2)C1=O	2323839593	ICHGBVRDOOPFML-UHFFFAOYSA-N	403.598	5.104	10	10	HKCE	
CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134551	JMCPHHFKHXUUFV-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1cccc(Cl)c1	2332148444	RYESOJXKFBANQU-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
Cc1cc(N(C)C)ccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1C	4523056	LHPYNQJZKGIBOH-UHFFFAOYSA-N	401.598	5.682	10	10	HKCE	
CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1	4644428	FTHGKDWUWYMMNP-UHFFFAOYSA-N	415.493	5.602	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	14455946	UCOHZWOHHWWSEC-HTNCLHIXSA-N	414.574	6.374	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(C)s1)[C@H]1CC=C[C@H]21)c1ccccc1	14456818	NQLYXFKOBCZFHO-QVNIBDNGSA-N	414.574	6.550	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14465451	KWXJRSKJJGVMJM-DPZBCOQUSA-N	415.964	7.178	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21)C1CCCCC1	14549790	XDZPCMUZVWSPLO-HFMPRLQTSA-N	404.529	6.057	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1	20678903	KSYBJFKDSTXEML-OASJLCFRSA-N	411.545	6.533	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20759293	ARDMILDOTRNXGM-OASJLCFRSA-N	413.586	6.857	10	10	HKCE	
O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1)=NO[C@H]2c1ccc(Cl)cc1	59475616	ZUTULKUTUMAGES-QFIPXVFZSA-N	422.267	5.535	10	10	HKCE	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1	83262921	DSQBBSWFDORXBA-AQTBWJFISA-N	422.311	6.473	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NC3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226861800	FVAWLYDWWOVSCS-OHUGHZGNSA-N	416.565	5.974	10	10	HKCE	
CN[C@@H](C)c1ccc(N(C)Cc2cscc2Br)cc1Br	710026091	GRVMBNFUSQNLFV-JTQLQIEISA-N	418.198	5.190	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cccc(Cl)c2)cc1	1865656351	FWJJHKSAYYIQQC-HYARGMPZSA-N	420.871	5.318	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2034662704	SVCWSINXPPVHKR-KRWDZBQOSA-N	402.376	6.089	10	10	HKCE	
Cc1ccc(OCc2ccccc2)c(C=C2SC(=S)N(c3ccccc3)C2=O)c1	2297358891	GJHNNYJHVFEWQZ-UHFFFAOYSA-N	417.555	5.980	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1cccc(OC(F)(F)F)c1	2321734182	UFTCCJXQEJJBDS-UHFFFAOYSA-N	417.380	5.269	10	10	HKCE	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1ccc(F)c(F)c1	2321745641	WYFILENNXSMUKF-UHFFFAOYSA-N	401.381	5.389	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(CCC3=CCCCC3)C2=O)cc1OC	2323839982	WJJLLRZIYJWBDV-UHFFFAOYSA-N	417.596	5.576	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(CCC)N=C2c2ccccc2)cc1OCC	2332114026	KOKOHLFCWCOOKF-UHFFFAOYSA-N	420.553	5.694	10	10	HKCE	
COc1cccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2c2ccccc2)c1	2332141613	KOLCVDXOAKACII-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463281	BDWIUPAFSPORMH-FEVNIDIWSA-N	423.600	7.648	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477478	PYZXIKCOFPJYMR-CKJXQJPGSA-N	402.321	6.387	10	10	HKCE	
Oc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21	20696069	AWBPOTGKIJPWQK-CZIZLABSSA-N	411.126	6.288	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]2CC=C[C@@H]32)CC1	20713339	NEDWPXTWTKOZLA-PNCHPQGNSA-N	417.509	5.293	10	10	HKCE	
O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O	33456490	GYFXEHMQYVUZHW-LUAWRHEFSA-N	422.267	5.421	10	10	HKCE	
Cc1cc(C)n2cc(CSc3ncc(-c4ccccc4)n3CC(F)(F)F)nc2n1	72050814	KOIHZUWLBKMCEZ-UHFFFAOYSA-N	417.460	5.064	10	10	HKCE	
CC[C@@H](Nc1cc(Br)cnc1Cl)c1cc(Br)ccc1O	233896439	UEZSXPCTCQDQDA-LLVKDONJSA-N	420.532	5.529	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250515297	VGQJBVWXILRRLL-UMEGOILYSA-N	408.457	6.433	10	10	HKCE	
O=C(COc1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1	1084137274	FPFNTDCGTWDQHG-UHFFFAOYSA-N	410.271	5.882	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	1860074711	GCUVQEPAZFOEPB-XNTDXEJSSA-N	419.453	5.067	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)cc1Cl	1860075047	GDVIGAAQKCUVPB-VCHYOVAHSA-N	419.955	5.542	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1	1860084861	SFKDCSVZAPTLDO-FYJGNVAPSA-N	424.591	5.137	10	10	HKCE	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OCC	1865666402	JJBSQIYEGUZFGU-HMMYKYKNSA-N	408.498	5.079	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OCC	1865666944	WHBNCGSXEFRDGP-XQNSMLJCSA-N	420.553	5.764	10	10	HKCE	
CC1=NN(c2ccccn2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	1865674139	PFZBXKQNKBWUKK-XSFVSMFZSA-N	403.869	5.120	10	10	HKCE	
COc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1	1865679934	NWIUIIDJFIMMEM-HYARGMPZSA-N	418.880	5.192	10	10	HKCE	
Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(C)c2c1	1866290424	BXYOJATVCAIETL-UHFFFAOYSA-N	400.434	5.037	10	10	HKCE	
COc1ccc(N2CCN(C(=O)CCc3c4ccccc4cc4ccccc34)CC2)cc1	1892117997	NXEQDIAXQCPJNV-UHFFFAOYSA-N	424.544	5.283	10	10	HKCE	
CCNCc1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	2034711932	ACKZEHDQGVXXCI-UHFFFAOYSA-N	415.297	5.518	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C3CCC3)c(CN)c2Br)C(C)(C)C)c(O)c1	2079012840	AKMBBVVCISFXSP-GOSISDBHSA-N	406.368	5.021	10	10	HKCE	
Oc1c(Br)cccc1CNc1cc(Br)c(Cl)cc1F	2112641072	KUYBFTFBGYQAJO-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
CN(Cc1ccc(Br)cc1F)c1ccc(CNC(=O)OC(C)(C)C)cc1	2117997652	WWGAOXCFWUXBGT-UHFFFAOYSA-N	423.326	5.249	10	10	HKCE	
CSc1ccc(C=C2SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1	2297295850	IKOXJRSVVFLNAR-UHFFFAOYSA-N	404.944	5.476	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1	2313671130	HSNMQYGRYCLYRD-UHFFFAOYSA-N	407.300	6.136	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N(Nc2nc3ccccc3s2)C1=O	2314819226	VSLIUCVRDUAFAI-UHFFFAOYSA-N	409.561	5.471	10	10	HKCE	
Cc1nc2ccccn2c1C=C1SC(=S)N(c2ccccc2C(F)(F)F)C1=O	2321672181	CBCOAPXAQALHFD-UHFFFAOYSA-N	419.453	5.067	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC	2323752114	AOEORFQETAIWCU-UHFFFAOYSA-N	413.564	5.194	10	10	HKCE	
C[C@@H]1CCCC[C@@H]1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2323790653	AXIZNTMHWJHNBB-YGRLFVJLSA-N	414.365	5.368	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N(C)C)cc1	2332096505	PNEKYEGHZXHWLQ-UHFFFAOYSA-N	402.325	5.646	10	10	HKCE	
CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116474	RGCIXEDBVONITM-UHFFFAOYSA-N	410.517	5.848	10	10	HKCE	
CSc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)s1	4840836	WGDMDCWFWIHLDV-UHFFFAOYSA-N	403.598	5.259	10	10	HKCE	
C[C@H]1CCCN(c2cc(NC3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)C1	6737918	GIIJGBOXNKYIIS-INIZCTEOSA-N	415.537	6.020	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14463001	YQDFOYVXWRIPGC-DPLHUUCSSA-N	410.583	5.325	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21	14467415	ZYAHZYHVASKGLP-XIZWVBILSA-N	401.120	6.832	10	10	HKCE	
CC(C)COc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H]1CC=C[C@H]21	14467723	MQUWUZANBDBFBZ-BXTJHSDWSA-N	404.337	6.560	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547067	NFRMCECCLVHRKN-VFPDKUSMSA-N	415.364	6.348	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14552042	PBOZBTCOYAPXQS-MZKRTTBSSA-N	404.579	5.861	10	10	HKCE	
CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3O)CC2)cc1	34683404	RQLOHUOKVOCRJZ-UHFFFAOYSA-N	414.549	5.266	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	226713768	KKAKMUZPCJDASB-ZRCGQRJVSA-N	400.909	6.419	10	10	HKCE	
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1c(Cl)cccc1C(F)(F)F	247728680	FXLSPJHMTJBMBN-UHFFFAOYSA-N	421.778	5.244	10	10	HKCE	
Cc1cc(Br)c(Cl)cc1NCc1ccc(Br)cc1O	701054207	BJLXOZWVHLSNOV-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccccc1Nc1ccccc1	1083994774	QJZCVPOWIJRZBP-XSFVSMFZSA-N	422.962	6.489	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)SC2=S)c(C)c1	1084113269	NOSXGCQSFCHXCL-MDWZMJQESA-N	410.383	5.533	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C)o1	1084386181	NTGIUJNEYGSKMC-DEDYPNTBSA-N	421.294	5.824	10	10	HKCE	
CCOC(=O)N1CCC(N=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	1860488440	AHBUYHVDHXLZNO-UHFFFAOYSA-N	412.334	5.124	10	10	HKCE	
CCCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1	1865674618	OWOSZOPGYKXIBY-QJOMJCCJSA-N	414.480	5.445	10	10	HKCE	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1Cc1ccc(Cl)cc1	1865677882	IDMUESHZQYPBRV-ZHZULCJRSA-N	417.852	5.078	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1	2034779450	ALNALRRTRFTMRP-INIZCTEOSA-N	402.332	5.598	10	10	HKCE	
CN[C@H](C)c1ccc(N(C)Cc2ccc(Br)s2)c(Br)c1	2156990937	XSAFLELVRHJJJG-SNVBAGLBSA-N	418.198	5.190	10	10	HKCE	
CC[C@@H](C)Oc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1Br	2293779463	LKUMCYYTYFPFIC-CQSZACIVSA-N	413.315	5.433	10	10	HKCE	
CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Cl	2313681413	DKSUYVKAXNVEHN-UHFFFAOYSA-N	417.321	5.712	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2Cl)SC(=S)N1CCc1ccc(F)cc1	2318684032	NNSWZYMSZVMDHR-UHFFFAOYSA-N	412.338	5.576	10	10	HKCE	
Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccccc2Br)SC1=S	2321602936	XVCKULVGFNKNCL-UHFFFAOYSA-N	424.772	5.817	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2CCC)cc1OCC	2332113879	TXPWRYCPNPPWDV-UHFFFAOYSA-N	424.516	5.595	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461505	BKGJQTGSZSDCIN-FBLLAGFSSA-N	404.554	5.926	10	10	HKCE	
Clc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14466567	VYFHAJIFQGROAA-UZINWLIJSA-N	407.985	7.516	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	14477119	KFQAFUUSZXDYPX-YRVVQQKDSA-N	401.337	5.958	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14552402	XFKDDECNWDTHFD-HWBMXIPRSA-N	414.936	6.727	10	10	HKCE	
Cc1ccc2ccc([C@H](Nc3ccc(Br)cn3)c3ccccn3)c(O)c2n1	46085486	WTBBDIVBKRYDOS-FQEVSTJZSA-N	421.298	5.003	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	58083403	YZESUJWCQNNNMH-DENIHFKCSA-N	412.942	5.647	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	101350587	YDKNLOQJRABUAE-DHDCSXOGSA-N	419.268	5.237	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2	226666226	AXEGJRCFYVLTHN-MVERNJQCSA-N	417.597	5.841	10	10	HKCE	
Oc1c(Br)cc(Br)cc1N=Nc1cccc2ccccc12	1084223503	ILCNTHAVBAUHCQ-UHFFFAOYSA-N	406.077	6.486	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1	1860076575	LRSLMQREIDXFCS-QGOAFFKASA-N	421.509	6.454	10	10	HKCE	
CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC	1865669798	XPJJIOMIUUPVPJ-CJLVFECKSA-N	406.526	5.769	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc1	1865670312	SYKOIFULSNIMIS-HKWRFOASSA-N	416.443	5.913	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1	1865677758	BEYPVSSZQTVMKD-MDWZMJQESA-N	420.252	5.194	10	10	HKCE	
O=[N+]([O-])c1cc(C=Cc2nc3c(ccc4ccccc43)s2)ccc1N1CCCC1	2053509020	LQDDULLLQXXTNQ-UHFFFAOYSA-N	401.491	6.128	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H]1CC12CCC(NCc1cc(Cl)cc(Cl)c1O)CC2	2146637227	CBNSHSGJVIIRDS-CZDRUDQFSA-N	415.361	5.015	10	10	HKCE	
Cc1csc(CN(C)c2ccc([C@@H](C)N)cc2Br)c1Br	2157020704	WANSXPDSWQJGNV-SNVBAGLBSA-N	418.198	5.238	10	10	HKCE	
O=C(C=Cc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O	2293594316	MAVAPSCAANIDKJ-JOCHJYFZSA-N	402.881	5.437	10	10	HKCE	
CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1	2313683289	WPBWGXAJBQBERK-UHFFFAOYSA-N	411.505	5.395	10	10	HKCE	
CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2ccccc2C)C1=O	2314836432	FGBGYBBVNGVORW-QGZVFWFLSA-N	422.575	5.170	10	10	HKCE	
CCN(CC)Cc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1	2321591252	DGCVEZSRUMEZJW-UHFFFAOYSA-N	416.999	5.588	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1Cc1ccc(Cl)cc1	2323840528	NLXNVWPQXCVRBC-UHFFFAOYSA-N	424.772	5.504	10	10	HKCE	
CC(C)N(C(=O)C=Cc1cccc(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O	2329481002	WALGOKMHGLYKQD-UHFFFAOYSA-N	413.448	5.056	10	10	HKCE	
O=C1C(=Cc2cccc(O)c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	2332094912	VAOHHEKSBTXQTL-UHFFFAOYSA-N	415.198	5.043	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CCC)cc1OC	2332125713	HJJBIQKKOVFWBQ-UHFFFAOYSA-N	420.553	5.764	10	10	HKCE	
CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2O)N1	4730046	BOCQBTDETHRKSO-AZUAARDMSA-N	421.766	5.704	10	10	HKCE	
CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	10681812	IHYHHVJSAKPRRU-XPLJOYPYSA-N	415.537	7.412	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccccc1Cl	12493250	MHSMLGAOTAEQSW-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
Oc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(O)c1	13640306	QDJBRALZXBKBNQ-DFIYOIEZSA-N	415.489	5.382	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464583	LWSYTWGCEJMWQK-CKOJHNACSA-N	424.588	6.929	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14473224	BKUDZDQAJLFLRS-GCKMJXCFSA-N	400.862	5.100	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2	14544530	NVVPVGPMALLZSC-YZIHRLCOSA-N	412.533	5.815	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@H]2C=CC[C@H]21	14546328	YHEIMPLLSGFHEM-XXAUWVGASA-N	403.566	6.871	10	10	HKCE	
COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)ccc1O	20070821	YWGRYVMRUYWRCD-MBSDFSHPSA-N	422.868	5.002	10	10	HKCE	
Cc1c(C(N)=O)cc(-c2ccc(N3CCCC3)cc2)n1[C@@H](C)CCc1ccccc1	43223914	DXUUVOSFTGJQBP-IBGZPJMESA-N	401.554	5.356	10	10	HKCE	
CCCOC(=O)c1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)c1	54620765	DRQXUPPZAULTOU-JOCHJYFZSA-N	402.450	5.302	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226691748	APSFNPYPWDBLJJ-PZPWOCDFSA-N	417.336	6.264	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2O)cc1	253559960	AFLVJSJCGOFTTI-VGMPJJTNSA-N	407.642	6.540	10	10	HKCE	
O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1860073529	NXPDBOWFRKVSMY-OVCLIPMQSA-N	424.330	5.026	10	10	HKCE	
Cc1nc2ccccn2c1/C=C1/SC(=S)N(c2ccccc2C(F)(F)F)C1=O	1860086368	CBCOAPXAQALHFD-XNTDXEJSSA-N	419.453	5.067	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1	1860087458	ZHZOJFZKVUYPQU-WOJGMQOQSA-N	404.507	5.217	10	10	HKCE	
COc1ccccc1/C=C1\C(=O)N(Cc2ccccc2Cl)N=C1c1ccccc1	1865679288	FHFMMZAPSHNAEV-HKWRFOASSA-N	402.881	5.179	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(C)cc2Br)c1C	1874143831	BFSQWAWSROHVIX-UHFFFAOYSA-N	413.315	5.426	10	10	HKCE	
CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2231463784	SOKQIMVSJLOGFV-SFHVURJKSA-N	415.419	6.142	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(C(C)C)cc1	2294082125	FJRYJIGOLGWOAT-UHFFFAOYSA-N	409.913	5.731	10	10	HKCE	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C(C)C)C2=O)cc1	2296537429	LOSNJXYUDYVLQS-UHFFFAOYSA-N	419.575	5.457	10	10	HKCE	
COc1ccc(C2=CC(=Cc3c4ccccc4cc4ccccc34)C(=O)O2)c(OC)c1	2297550837	AUCCQSRZBKAOAI-UHFFFAOYSA-N	408.453	5.992	10	10	HKCE	
Cc1cc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)ccc1[N+](=O)[O-]	2321742440	FYPDITUGZKVQET-UHFFFAOYSA-N	424.425	5.328	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N(C)C)cc1	2332096380	ABJPZDJHWLSNEP-UHFFFAOYSA-N	416.352	5.641	10	10	HKCE	
CCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133520	WSYMQHJEJHJHNQ-UHFFFAOYSA-N	410.517	6.079	10	10	HKCE	
CCOc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1	2321946	MLGXFICJCLRAOT-OQKWZONESA-N	406.551	5.010	10	10	HKCE	
O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(NCc4ccco4)c1c23	6737996	PBXFYXAMLBIFIG-UHFFFAOYSA-N	413.477	5.625	10	10	HKCE	
COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13640776	OAICMBVHVXZLMP-YRVVQQKDSA-N	406.309	5.846	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)[C@H]1CC=C[C@H]21	14467576	LDOXXFZBXDXKGC-UHYGZKCKSA-N	403.309	5.227	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467642	IXJHBONSWHFGBZ-WHSLLNHNSA-N	404.337	6.560	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@@H]2C=CC[C@H]21	20769509	DHSPUWPZKWYDLP-VHFRWLAGSA-N	424.544	6.473	10	10	HKCE	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	34139053	JUJZHPMUVKGOGA-SILNSSARSA-N	411.461	5.132	10	10	HKCE	
CC[C@@H](Nc1ccc(F)c(Br)c1)c1cc(Br)ccc1O	163806154	ISGTVSVLMXUBAV-CQSZACIVSA-N	403.089	5.620	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	1083978682	WTBOWZUQKFWVQN-OEAKJJBVSA-N	413.525	5.133	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1858588734	WUQBENFRABTNAE-SMXBZUPSSA-N	412.407	6.019	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC	1860076639	ROFQHAZQXPCPLV-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860085254	ZFXVNFDXMLDLBY-LFIBNONCSA-N	422.402	6.697	10	10	HKCE	
Cc1ccc(/N=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl	1860485919	FQLZXBOUZUOJCO-CYYJNZCTSA-N	404.945	6.054	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc(C)c1-c1ccccc1	1865955841	HSIZMBLYGKUKGY-UHFFFAOYSA-N	419.424	5.781	10	10	HKCE	
CCCn1cc(OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870854918	HMKOLRSQPAZFAE-UHFFFAOYSA-N	405.542	5.649	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1	2297364068	FSYCBEIKQISMDU-UHFFFAOYSA-N	421.499	5.213	10	10	HKCE	
COc1ccc(Br)cc1C=C1SC(=S)N(c2cccc(F)c2)C1=O	2313507565	UPMPZSULEMMYKM-UHFFFAOYSA-N	424.316	5.003	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C(F)(F)F	2332113545	HVFAJHWRNUQNPS-UHFFFAOYSA-N	410.395	5.505	10	10	HKCE	
CC(C)Oc1ccccc1C=C1C(=O)N(Cc2cccc(F)c2)N=C1c1ccccc1	2332133670	MLNCVDMVOXTOQR-UHFFFAOYSA-N	414.480	5.443	10	10	HKCE	
CCN1N=C(c2ccccc2)C(=Cc2ccc(N(CC)Cc3ccccc3)cc2)C1=O	2332139989	PRIKJTYYMUHDRA-UHFFFAOYSA-N	409.533	5.363	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14463312	OWKMCOWIFZTAGU-ZEZDXWPOSA-N	423.600	7.648	10	10	HKCE	
COc1ccc([C@@H]2Nc3c(C(=O)NC(C)(C)C)cccc3[C@H]3C=CC[C@H]32)cc1OC	14479459	FUEMGJOFIVSWES-JKSBSHDWSA-N	406.526	5.059	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479672	SDBMTHPUNUVJGX-IMWIBFENSA-N	406.526	5.060	10	10	HKCE	
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2	14545087	HEHVSEUZAQVWIC-BNOLMAOQSA-N	421.566	5.071	10	10	HKCE	
COc1ccccc1[C@H]1Nc2c(C(=O)N(C)C3CCCCC3)cccc2[C@H]2C=CC[C@@H]21	14546188	QAFAEUFKMAOPRX-RLSLOFABSA-N	416.565	5.926	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1	19891282	KVUISGIIODFQSP-OPYAIIAOSA-N	415.318	6.241	10	10	HKCE	
COc1ccc(-n2c(CCC(=O)NCC3CC3)ccc2-c2ccc(Cl)cc2)cc1	23324576	SINSZOIPMRVBHP-UHFFFAOYSA-N	408.929	5.265	10	10	HKCE	
Cc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	33395060	CKBBSJMHZUAFHI-NVNXTCNLSA-N	424.425	5.328	10	10	HKCE	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)O1	59643738	FVNDYPZRLOMILK-UHFFFAOYSA-N	414.885	5.165	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21	226709633	KUKFQILELUVBII-VPZZIHKRSA-N	401.260	5.198	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2	226856223	MBVCNRSYACWQSL-WIEQDCTASA-N	401.337	6.414	10	10	HKCE	
O=C1/C(=C\c2cccs2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1084227203	HYIZERZKPMCYHC-KPKJPENVSA-N	405.875	5.826	10	10	HKCE	
COc1ccccc1N1CCN(/N=N/c2ccc(OCc3ccccc3)cc2)CC1	1860485804	YXHNBLKPWRYAJB-OCEACIFDSA-N	402.498	5.095	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccc(Cl)c(Cl)c2)cc1	1865664905	RESRWLQOKORCDM-CPNJWEJPSA-N	423.299	5.837	10	10	HKCE	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCCCC2)cc1	1865949074	QMWCONVOAICUTB-NRFANRHFSA-N	420.384	5.016	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cccc3[nH]ncc23)sc(C)c1-c1ccc(C)c(C)c1	1866208500	AUSHIWGFMIGQIZ-UHFFFAOYSA-N	419.506	5.256	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C	1874130857	SQKMJVXIQQPXGR-GOSISDBHSA-N	402.538	5.473	10	10	HKCE	
CCN1CCc2cc([C@@H](CCN(Cc3ccccc3)C(=O)OC(C)(C)C)NC)ccc21	1999527000	HRAXUVFRBHWXKY-HSZRJFAPSA-N	423.601	5.157	10	10	HKCE	
O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1	2297303051	QJAOZQZAFIWZEZ-UHFFFAOYSA-N	423.946	6.538	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321665902	NIEMLKCSIGIKMH-UHFFFAOYSA-N	408.375	6.523	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S	2321687273	VAXRLQMGMRRVQT-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)C=Cc3ccc(Br)cc3)cc2)cc1	2329605911	YGSUXCDBRCIDNC-UHFFFAOYSA-N	409.283	5.476	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OC	2332125506	KGYOPHPYXLANTL-UHFFFAOYSA-N	406.526	5.293	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2C)cc1	2332133418	LGGPMIJUNJFMAD-UHFFFAOYSA-N	410.517	6.160	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1Cc2ccccc2S1	11967992	WFEDHHJJVZHADJ-ZCYQVOJMSA-N	411.526	5.468	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477829	ZRTWYEQNNRUYIB-CKJXQJPGSA-N	401.337	6.414	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(C(C)C)cc2)N3)c1	14553574	ISXJSMOMMKTGTM-OARDWFSCSA-N	422.572	7.197	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21	20707228	MYIIHJJBQDGRNB-RNHFSVANSA-N	410.517	5.491	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226747114	VEKLQTGMYZUJFS-SIFCLUCFSA-N	406.309	5.551	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	1860076601	OHFMJKKCRSCOLR-CXUHLZMHSA-N	404.900	5.271	10	10	HKCE	
CCN(CC)c1ccc(CNCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	1860716814	DOZDONLFSNPDPA-UHFFFAOYSA-N	403.526	5.053	10	10	HKCE	
CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665177	FMQXUGURSZQSGN-XSFVSMFZSA-N	410.489	5.205	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(F)cc2F)cc1	1865673668	QGEQRTYLQKOREQ-LPYMAVHISA-N	418.443	5.112	10	10	HKCE	
CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1Cl	2079039280	FDVMIVPKBMZINT-HNNXBMFYSA-N	416.827	5.136	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	2321646876	UKZWSOQGDBOSNC-UHFFFAOYSA-N	420.899	5.053	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OCC)c1	2332116629	JGLWOYGOLLBFOG-UHFFFAOYSA-N	417.336	5.974	10	10	HKCE	
Cc1ccc(CNc2c(C)cc(F)cc2Br)c(O)c1Br	2380802443	YJATVBRXMJPUKX-UHFFFAOYSA-N	403.089	5.285	10	10	HKCE	
COc1cc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	2488613	OSSFWALRIZNRFB-ZJNRKIDTSA-N	404.279	5.432	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2	14460690	AULNOFZTNSPIKG-IHFIDZABSA-N	408.929	5.075	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1	14462017	GBHQWQRRVLANQX-TTZMFTMZSA-N	418.581	5.917	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476841	DKTGIJMHVVBURH-OREGWCPLSA-N	424.544	5.794	10	10	HKCE	
O=C1S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=S)N1Cc1ccccc1	35516770	OWZIKPQHSAKQNB-UYRXBGFRSA-N	421.503	5.423	10	10	HKCE	
CCOc1ccc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)cc1	59372111	BNKARGZENHEDIU-QFIPXVFZSA-N	404.897	6.194	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC)cc1OC	1865678743	BTEQNQDYKXWFQS-MHWRWJLKSA-N	419.308	5.202	10	10	HKCE	
CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](N)c1ccc(N2CCCCC2)cc1	1977940657	DIQMAOAWXHTKSB-QHCPKHFHSA-N	409.574	5.114	10	10	HKCE	
COc1cc(C)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1C(C)C	2294519846	UTPPFDCTXJKYEU-UHFFFAOYSA-N	411.592	5.571	10	10	HKCE	
O=C1C(=Cc2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	2294623821	ZWYCBNKVEHZDHK-UHFFFAOYSA-N	415.898	6.145	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N(c4cccc(SC)c4)C3=O)c2c1	2321734033	JTGBCWDXOAGFPZ-UHFFFAOYSA-N	412.561	5.304	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OCC	2321745697	KEUSZUKOMIWRBL-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
COc1ccc(CN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1	2323745094	CADBRTVXOZZJKB-UHFFFAOYSA-N	410.347	5.403	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OC	2332124391	YFRGIDNTPKTGKY-UHFFFAOYSA-N	406.526	5.769	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc4ccccc4c2)N3)CC1	14475529	KHUFXWSYIMYKJK-QQNWGBJXSA-N	422.572	6.538	10	10	HKCE	
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476338	GRFCPPKMBKOZSX-AWVRMFGXSA-N	424.544	6.075	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2	14477201	XMVQNDKFYYASCP-XCGNWRKASA-N	404.337	6.235	10	10	HKCE	
O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1O	31539211	GTXODRUQKGAPPI-UHFFFAOYSA-N	421.516	5.460	10	10	HKCE	
CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	33399219	IIIBQAANPMPRAX-JWGURIENSA-N	416.571	5.856	10	10	HKCE	
COc1ccccc1N1C(=O)/C(=C(/C)c2cccc(Br)c2)SC1=S	34260029	AHGVFLMOTFDODX-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cc(Cl)cc(Cl)c3)c3cccnc3)c(O)c2n1	54621567	LBNFXNNJMUWXBS-FQEVSTJZSA-N	410.304	6.152	10	10	HKCE	
CC(C)(C)c1ccc(C2=C/C(=C/c3ccc(I)o3)C(=O)O2)cc1	59425999	BLBOXYXXBUMXIZ-RAXLEYEMSA-N	420.246	5.163	10	10	HKCE	
CN1C(=O)/C(=C/C=C2/N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S	97610384	FSHIAPSEJJTCPY-ZEDXCMECSA-N	406.576	5.339	10	10	HKCE	
CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	101673785	LODLXTYOMVDPFL-GZTJUZNOSA-N	408.325	5.389	10	10	HKCE	
CC(C)(C)OC(=O)N1Cc2ccc(NCc3cccc(Br)c3O)cc2C1	386584637	VDDZOSQEKRRNKS-UHFFFAOYSA-N	419.319	5.018	10	10	HKCE	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858591392	JIASPUGHUPYBSA-GLNPCMGASA-N	424.330	5.021	10	10	HKCE	
CC1CCN(c2ccc(N3C(=O)/C(=C\c4ccsc4)SC3=S)cc2)CC1	1860085528	PYOFJSYILRBLPH-LDADJPATSA-N	400.594	5.390	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cc2ccncc2)cc1	1860085854	OPDZENXWGMKWNH-XSFVSMFZSA-N	422.962	5.732	10	10	HKCE	
COc1ccc(Cl)cc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	1860086470	KBABABAFWJIRCC-OVCLIPMQSA-N	414.310	5.547	10	10	HKCE	
CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCC)c(OCC)c1	1865665284	LLXZBTZBIQEIPU-XMHGGMMESA-N	410.489	5.205	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1cccc(Cl)c1	1865666123	FBOYINWNWPGVFW-UNOMPAQXSA-N	409.272	5.534	10	10	HKCE	
COC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc(C)c1-c1ccc(C)c(C)c1	1865956515	KCHRJVKABPPNFP-UHFFFAOYSA-N	407.535	5.996	10	10	HKCE	
Cc1cccc2c(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c3c(nc12)CCCC3	1866274588	ATVXVYZIVSVATB-UHFFFAOYSA-N	423.516	6.049	10	10	HKCE	
CN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2034821733	IDFWEGVDXSIDQK-DLBZAZTESA-N	403.408	6.171	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1	2053528646	VJWBSWYUGZKYPA-UHFFFAOYSA-N	415.461	6.264	10	10	HKCE	
C[C@H](N)c1ccc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc1Br	2100222643	KMIAUYJSAAYOCH-RVHYNSKXSA-N	417.391	5.289	10	10	HKCE	
CCc1ccccc1N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S	2321569924	VZPJVRLRGFKATO-UHFFFAOYSA-N	422.344	5.556	10	10	HKCE	
CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2CCc2ccc(Cl)cc2)cc1	6418109	SRUKGENVHWZJHO-UHFFFAOYSA-N	409.961	5.305	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	14465688	ZBBQYALDNISNMV-IHFIDZABSA-N	408.929	5.075	10	10	HKCE	
O=C(NCc1ccccc1)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466207	GLPWBXPUIHANJW-GLDPYIMESA-N	414.936	6.097	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547066	NFRMCECCLVHRKN-CFZSEITHSA-N	415.364	6.348	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2)c1ccccc1	20695669	XYIFMKIQLRZNLB-PQNGQFLHSA-N	400.909	6.419	10	10	HKCE	
CCCCN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21	33397207	IWPNSOLOZISVDR-VXPUYCOJSA-N	422.575	5.226	10	10	HKCE	
COc1ccc2ccccc2c1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	59859664	YFOGHWZMAYFPHT-RCCKNPSSSA-N	422.440	5.508	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226633544	NGMCIMBNEOGSOY-TXTKFYIRSA-N	412.371	6.701	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226680222	WIELDVWTCBABHY-MVERNJQCSA-N	417.597	5.841	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	226788705	LTULJTYUFQZWEU-ZFGGDYGUSA-N	419.525	5.684	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1	251470690	KWNUQJYKRSAFEU-RQTOMXEWSA-N	422.594	5.242	10	10	HKCE	
O=C1/C(=C\c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865664972	VFFUPUCYWJXUOH-WQLSENKSSA-N	419.617	5.995	10	10	HKCE	
C[C@H](O)c1ccc(N2CC[C@@]2(C)CCOCc2ccccc2)cc1Br	2077088490	VCIZOXULILFHQG-KKSFZXQISA-N	404.348	5.078	10	10	HKCE	
Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CO)c2Br)C2(C)CC2)cc1C	2080022065	FDMBCVMYLUFOQI-GOSISDBHSA-N	421.379	5.147	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)O)cc1Br	2113623498	NSTSFAXRSYIDDG-IAGOWNOFSA-N	419.407	5.286	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cc(Cl)cc(Cl)c2O)c1F	2156418553	SBDKZXDSISJKMW-UHFFFAOYSA-N	419.255	5.936	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1	2313610336	VXLQSEVKBQRLNI-UHFFFAOYSA-N	402.544	6.144	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1	2313681568	IDBGKZUIHFIVRQ-UHFFFAOYSA-N	406.288	6.021	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)c2ccccc21	2332128775	BPXCIGPPLPKVJX-UHFFFAOYSA-N	403.791	5.180	10	10	HKCE	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1	2977133	DIDVIUTXFBWAGJ-NPQOUYBPSA-N	413.564	5.147	10	10	HKCE	
Cc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	4730069	RONITVBJOUXVAA-QFIPXVFZSA-N	411.977	5.078	10	10	HKCE	
CC[C@@H](C)N1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	6002982	PGVVABTZTDYFJI-LVLBFHFTSA-N	405.629	5.987	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2)c1ccccc1	13640553	KYYSMRZXLCAHFA-WZOHSFFVSA-N	412.489	5.201	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[C@H]2C=CC[C@@H]21	13645408	TVTCWKWFMLWKIX-CNNODRBYSA-N	422.575	5.684	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2)c1ccccc1	14472489	MMRYWHATPBOGMI-HFMPRLQTSA-N	411.461	5.674	10	10	HKCE	
COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1NC(=O)OC(C)(C)C	312216554	RLLSOXOWWVXVPW-UHFFFAOYSA-N	413.301	5.667	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)c(O)c2)c1	526174281	PIJUSYJADMGSAU-QHCPKHFHSA-N	401.462	5.080	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1	1860074837	RPANBKRSTXFEEO-LFIBNONCSA-N	420.353	5.254	10	10	HKCE	
CCCCCCOc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1	1860086043	GOYJXVCOTOQPKI-LTGZKZEYSA-N	411.592	6.360	10	10	HKCE	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865676620	HDDKBQAGBHLDHF-ATVHPVEESA-N	411.339	5.097	10	10	HKCE	
CCCOc1ccccc1-c1nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[nH]1	1872738027	QJCBYBMYAYOAIY-UHFFFAOYSA-N	414.509	5.337	10	10	HKCE	
CCN1C(=O)C(=Cc2cccc(OCCCOc3ccccc3C)c2)SC1=S	2297500310	ZHQGPGSZEPBAMF-UHFFFAOYSA-N	413.564	5.064	10	10	HKCE	
CC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)cc1	2332118453	NPIPMAFGUIRUGF-UHFFFAOYSA-N	410.517	5.684	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1Cc1ccccc1Cl	2332148202	LGBBGJLZMHKXIU-UHFFFAOYSA-N	417.852	5.078	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13644179	MBTFNLYYTKMPNR-PPJWLVRDSA-N	423.560	5.509	10	10	HKCE	
CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460704	YKKCRENVBSLMHG-DPLHUUCSSA-N	423.988	5.238	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549027	JQGGZAGPDYUVIM-PRVBGKCFSA-N	404.513	6.778	10	10	HKCE	
Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1	36347393	BWPVJELHAPNDQG-JOCHJYFZSA-N	400.444	5.516	10	10	HKCE	
O=C1/C(=C/c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	102655820	CRIRHAMCJUUUDY-XSFVSMFZSA-N	403.825	5.083	10	10	HKCE	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226680232	WIELDVWTCBABHY-JQYIIUTOSA-N	417.597	5.841	10	10	HKCE	
COc1ccc(O)c([C@@H](C)Nc2c(Br)cccc2Br)c1	232119229	DXWLKHPJMOLSSM-SECBINFHSA-N	401.098	5.099	10	10	HKCE	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1858588419	DKXHGOONWZNOPD-ORUFCZMXSA-N	412.407	6.019	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC	1860076599	OBLUYVIEZVQKRU-DEDYPNTBSA-N	413.564	5.507	10	10	HKCE	
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)c2c1	1860086910	ONDYAESAFITXSW-CAOOACKPSA-N	400.912	5.236	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1O	1865666308	JGGUFKNHDUUGME-GXDHUFHOSA-N	407.272	5.420	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)cc1	1866090060	YCHJJPDPTYFDGM-UHFFFAOYSA-N	411.299	5.395	10	10	HKCE	
CN(CCN(Cc1ccccc1)c1ccc2c(c1)CCC[C@@H]2O)Cc1ccccc1	1986600618	OFWQNRDCHLYXBB-MHZLTWQESA-N	400.566	5.195	10	10	HKCE	
CCCN(CCC)c1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)O)cc1	2040459489	UWRCTWZKAYRDSR-UHFFFAOYSA-N	400.522	6.046	10	10	HKCE	
CCN(CC)c1ccc([C@@H](N)c2cc(Br)sc2Br)cc1	2163102491	KWZJSGAVWZJQCY-CQSZACIVSA-N	418.198	5.167	10	10	HKCE	
[N-]=[N+]=NCC(=O)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1	2296887135	QQRLPINOIZKSRR-DENIHFKCSA-N	407.424	5.398	10	10	HKCE	
CCCCCCOc1ccc(N=NN2CCCN(C(=O)OC(C)(C)C)CC2)cc1	2330221917	XUDWUXRKGPNKQC-UHFFFAOYSA-N	404.555	5.587	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c1	2332116611	HOQKIRIIKOPQKT-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc(Cl)cc1	2332134658	VCFSBOICOVQFGQ-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
O=C(O)[C@]1(Sc2nccs2)CN(Cc2ccccc2)C2(CCCCCC2)C1	2380083531	LCCOPBAIVXPMQA-OAQYLSRUSA-N	402.585	5.058	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3ccccc3C)[C@@H](C)CC)ccc21	3586160	ABGOXMAJLJCAEQ-FQEVSTJZSA-N	409.643	6.155	10	10	HKCE	
Cc1ccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)cc1	20367859	UINJFYOUAMRJFI-NRFANRHFSA-N	419.322	6.213	10	10	HKCE	
Cc1ccc(CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1	33315751	DQYSRGFIEFOKRW-MHWRWJLKSA-N	404.354	5.159	10	10	HKCE	
Cc1cccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)SC2=S)c1C	33458547	JWDOOVFUHSLMPT-OVCLIPMQSA-N	410.347	5.722	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3cc(Cl)cc(Cl)c3)c3ccccn3)c(O)c2n1	54621562	KTEFMIMVOXPYNX-OAQYLSRUSA-N	410.304	6.152	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250646308	LLJDMHPKUSZSEN-DPLHUUCSSA-N	414.461	5.706	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1860086967	SBGVOVBWFQCJHI-MHWRWJLKSA-N	409.454	5.428	10	10	HKCE	
FC(F)(F)c1cc(N=NNC(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1	1860488586	CVZWKXDHLQDMKL-UHFFFAOYSA-N	423.360	7.102	10	10	HKCE	
CC(C)CN1N=C(C(F)(F)F)/C(=C/c2cccc(OCc3ccccc3)c2)C1=O	1865679457	OFUVOJJKNAXZSC-UNOMPAQXSA-N	402.416	5.066	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc(C(C)=O)ccc2F)sc(C)c1-c1ccccc1	1866144548	LEJAAXJZJFQFHN-UHFFFAOYSA-N	411.454	5.104	10	10	HKCE	
Cc1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc2)c1	1892066356	FHWDISLLSMXWKA-UHFFFAOYSA-N	412.492	5.305	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)C[C@](C)(O)CC)cc1Br	1915189336	ORGKDOCNARZLPX-VGOFRKELSA-N	419.407	5.287	10	10	HKCE	
CCOC(=O)c1c(C(C)(C)C)nn([C@@H](CC)c2ccc(C)cc2O)c1Br	2079034036	GCYOMOMKYRMJCK-AWEZNQCLSA-N	423.351	5.133	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1	2321647849	LYBHSGXTPOTBAD-UHFFFAOYSA-N	421.509	6.409	10	10	HKCE	
CCc1cc(Br)c(O)c(/N=N/c2cc(Cl)c(Cl)cc2Cl)c1	6398281	DZWNJQRYEOYYOU-FMQUCBEESA-N	408.510	7.093	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2	14466764	NJUKCGDGRJZKFF-ORQYLMBXSA-N	408.929	5.075	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14469980	DZMZLYGUBYBUBG-MCEYFSPLSA-N	401.937	7.054	10	10	HKCE	
CC(C)NC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	14473116	BFKIUSOJABUHBV-ZJTDPSCFSA-N	411.889	5.213	10	10	HKCE	
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	14476437	WFHWCCPGJAAVQG-AXHZCLLHSA-N	414.461	5.706	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549140	QLFXOSTUMUCPNI-BERHBOFZSA-N	406.485	7.036	10	10	HKCE	
CCCCCC1=NN2C(=N)/C(=C\c3cccn3-c3c(C)cccc3C)C(=O)N=C2S1	32964208	QOCOCMKIRIRBKR-UQIYEGRLSA-N	419.554	5.294	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1cccc(Cl)c1	39372915	KKERNZFWTVPSTE-UMGGQSCQSA-N	402.925	5.745	10	10	HKCE	
CCOC(=O)c1cccc(N[C@H](c2ccccc2)c2ccc3ccc(C)nc3c2O)c1	54619820	VORINZYMRPXVNQ-HSZRJFAPSA-N	412.489	5.627	10	10	HKCE	
CCN(C(=O)/C=C/c1c(-c2ccc(C)cc2)nc2cc(C)ccn12)c1cccc(C)c1	71565584	OXATZSVEGPNZEB-BUHFOSPRSA-N	409.533	5.993	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226682419	UCOHZWOHHWWSEC-OFYLTFBOSA-N	414.574	6.374	10	10	HKCE	
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	226728490	AMSWPGVQCSXARA-FKCDAAJZSA-N	410.517	6.051	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	226745444	AFYMRZQLYGGOLE-VWKPWSFCSA-N	411.889	5.215	10	10	HKCE	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2	250329246	CRTFPBNLIYZITM-KZGFNGFISA-N	408.545	7.040	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cccnc1	299801550	ZCNCIMPXRCKZTI-HSZRJFAPSA-N	406.551	5.651	10	10	HKCE	
CC[C@@H](Nc1ccccc1OCc1ccccc1)c1cc(Br)ccc1O	311382018	BJOBYFPHHHJKRI-LJQANCHMSA-N	412.327	6.297	10	10	HKCE	
COc1cc(N=Nc2ccc(N(C)C)cc2OC(C)=O)c(C)cc1N=Nc1ncc[nH]1	1082551246	XGCPBSGCIPHULT-UHFFFAOYSA-N	421.461	5.549	10	10	HKCE	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)c1	1860084781	KWCQRZAVZFIEGH-MHWRWJLKSA-N	407.438	5.314	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(OCC)cc1	1865669318	IIGQQEBQJFTHRQ-GHRIWEEISA-N	400.881	5.460	10	10	HKCE	
CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1	1865675899	GFQVHFHDMVVVAM-HMMYKYKNSA-N	416.864	5.365	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc(C)c1-c1ccc(C)cc1	1866034865	VACKCFDHRNDKQQ-UHFFFAOYSA-N	405.475	5.817	10	10	HKCE	
CCN(CCCOCc1ccccc1)c1ccc(CNC(C)C)c(Br)c1	2096849433	KHJWJSRKBDRMQE-UHFFFAOYSA-N	419.407	5.380	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1cc(Cl)cc(Cl)c1	2321609641	NSRGWCJQIRVQLG-UHFFFAOYSA-N	417.320	5.369	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c(C)c1	2321660968	JGGSNFGWDWCTPC-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(F)c(C)c3)SC2=S)cc1OCC	2321733976	SBASGCNLFRTBHF-UHFFFAOYSA-N	417.527	5.337	10	10	HKCE	
CCOc1ccccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330193518	MBFPXLKULPWYKT-UHFFFAOYSA-N	400.526	5.491	10	10	HKCE	
Cc1ccc(CNc2ccc(Br)c(Cl)c2F)c(O)c1Br	2381134514	DKOSYGCBADQSNM-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
CN(C)c1ccc(C2N(c3ccc(Cl)cc3)CCN2c2ccc(Cl)cc2)cc1	2074822	BENHWWHLBNUIQM-UHFFFAOYSA-N	412.364	6.085	10	10	HKCE	
COc1cc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)ccc1OC(C)=O	14468682	QYMOPENFKQNVJF-LRDNONRASA-N	404.293	5.754	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	14546554	RQHDDQGGABVAJL-NXMSCROESA-N	407.344	7.564	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1	14552495	ZKJXJXVMFKVYRB-NLJOTIRTSA-N	424.544	6.473	10	10	HKCE	
CC(C)CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S	33306929	MXLCKOBPBJNAIP-CIAFOILYSA-N	406.576	5.547	10	10	HKCE	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccc(Cl)c1	33686094	IBZGITDQXAFGML-ZSOIEALJSA-N	410.745	5.508	10	10	HKCE	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1	59417993	IYFXZCWQCRQBFW-XDHOZWIPSA-N	411.479	5.500	10	10	HKCE	
COc1cc(NCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)cc1Cl	62658640	MCEHKNMRDFAACJ-UHFFFAOYSA-N	416.880	5.199	10	10	HKCE	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S	1858588066	OGFONQQGAGZVQD-OOWUWCJESA-N	413.564	5.274	10	10	HKCE	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3C)C2=O)c1O	1860074948	BJZJFMLHYJJJJY-MHWRWJLKSA-N	405.928	5.159	10	10	HKCE	
CC(C)COc1ccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cc1	1860086165	NYBUOJNIFLVECV-VCHYOVAHSA-N	405.491	5.405	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)C(C(F)(F)F)=NN1c1cccc(Cl)c1	1865664308	KOZODICXXBAWHS-WQLSENKSSA-N	403.162	5.481	10	10	HKCE	
CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668396	VEPGZRQIFOQJPT-XIEYBQDHSA-N	410.517	6.160	10	10	HKCE	
COC(=O)c1c(NC(=O)c2[nH]c3ccc(C)cc3c2C)sc(C)c1-c1ccccc1	1866043159	PVSLAIXHWNDTCJ-UHFFFAOYSA-N	418.518	5.861	10	10	HKCE	
Cc1nn(-c2ccccn2)c2c1[C@@H]1Nc3ccccc3NC[C@H]1[C@@H](c1ccccc1)C2	2080385375	DDKFVQKWTKCFDV-BVFVYWQFSA-N	407.521	5.111	10	10	HKCE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC(N=[N+]=[N-])CC2)cc1Cl	2180957917	SRKVBDQOIHXDQX-UHFFFAOYSA-N	414.293	5.255	10	10	HKCE	
CC(C)(C)c1ccc(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1	2321647806	AQHFEIGYFYDUIO-UHFFFAOYSA-N	405.947	6.182	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2321687272	UVHJCEFKSWOKRE-UHFFFAOYSA-N	423.481	5.900	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2c(F)cccc2Cl)cc1	2332103863	AYDXIWVPSPDXPE-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
CCOc1ccccc1NC(=O)c1c(NCc2ccncc2)sc2c1CCCC2	2909493	QDHMFCKYFGSUHX-UHFFFAOYSA-N	407.539	5.285	10	10	HKCE	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1	14466843	ZHIGCUDKFWVZMP-KHCICDEESA-N	400.909	6.419	10	10	HKCE	
COC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	19890262	WXBFERBYEBBCNO-AIUHUKMKSA-N	405.497	6.606	10	10	HKCE	
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@H](c3ccc4ccccc4c3)[C@@H]2C1	20708415	IHAOVWDTCDBECA-PVTPYKNESA-N	417.552	7.288	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@@H]2C=CC[C@H]21	20748660	NOHZBSDKXAAIIE-KHCICDEESA-N	402.538	5.538	10	10	HKCE	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	34771493	SEJDSRYJFJPZIT-YIFJCWOOSA-N	419.554	5.068	10	10	HKCE	
CCOc1ccccc1N1C(=O)/C(=C/c2cccc(Cl)c2)N=C1c1ccccc1	83292238	BHEOPBKCCLBOBU-SILNSSARSA-N	402.881	5.573	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(C)C)cc2)N3)c1	226803183	ISXJSMOMMKTGTM-CERRFVOPSA-N	422.572	7.197	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(/C=C/C(=O)O)cc1Br	385248428	KGLDMRXVRDNZJT-INDWDQIESA-N	400.316	5.352	10	10	HKCE	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1	1860086217	QXISZGYHQMKQOV-DEDYPNTBSA-N	407.516	5.263	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1	1860087111	APAQJXMERFXDJD-CXUHLZMHSA-N	423.346	5.358	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	1865677238	YYMDBRXMXJASML-MHWRWJLKSA-N	418.280	5.484	10	10	HKCE	
O=c1nc(C(Cl)=Cc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12	2053631551	NBEHYSRWBGIBJN-UHFFFAOYSA-N	400.309	5.304	10	10	HKCE	
CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S	2293406548	CAPHVYVUXFWNST-UHFFFAOYSA-N	419.955	5.149	10	10	HKCE	
CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2314754992	LVBOFPWLXMYEPY-UHFFFAOYSA-N	419.612	5.309	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2321570023	WYFMVIRDNRUIPX-UHFFFAOYSA-N	414.766	6.361	10	10	HKCE	
Cc1ccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1	2323882377	SYFJGNPZPIVUBW-FQEVSTJZSA-N	408.592	5.033	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2c2ccccc2)cc1	2332099842	JHSVQTKINMTWRD-UHFFFAOYSA-N	412.508	5.953	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14458057	LZTAVKUEEFISSX-DHDFKREGSA-N	423.600	7.450	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14463337	ROJNRYBHCISAJD-ZEZDXWPOSA-N	415.621	7.986	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21	14466891	UOAQWTLVTIIODB-GLKRBJQHSA-N	401.120	6.832	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14472716	ZKCUFOFOISQHHO-VWKPWSFCSA-N	412.873	5.642	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21)c1ccccc1	14480312	ASOPNUKHULMGAI-ZEVJAHDQSA-N	408.545	6.488	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	33919446	PDFUIKBCDSPESJ-XSFVSMFZSA-N	405.500	5.590	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)C(O)=NC2=S)cc1	96476657	AYPNPGHZRFWVFQ-HAHDFKILSA-N	422.509	5.973	10	10	HKCE	
CCOc1ccc2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)sc2c1	104323901	QPYLWDMPONVWFB-UHFFFAOYSA-N	400.459	5.214	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1Br	1860086003	CLZDUNIWQNFFJQ-OVCLIPMQSA-N	424.772	5.817	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2ccc(C(C)C)cc2)cc1	1865664732	WQIIOBJXBGBCAA-YZSQISJMSA-N	424.544	5.957	10	10	HKCE	
CCCCCOc1c(Br)cc(/C=C2/C(=O)N(CCC)N=C2C)cc1OC	1865667991	ZQTIQVNWNMZFSS-LFIBNONCSA-N	423.351	5.038	10	10	HKCE	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	1865670079	HKVRMLAKOYZHDK-CYVLTUHYSA-N	402.416	5.604	10	10	HKCE	
CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)Cc1ccc(N)cc1	1865956648	CBHUMCROQJNMDA-UHFFFAOYSA-N	422.550	5.479	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1Nc1nc2ccccc2s1	2042449531	LIJSKYYDQWFNEZ-UHFFFAOYSA-N	403.941	5.178	10	10	HKCE	
COc1ccc(O)c([C@H](C)n2nc(C3CCCCC3)cc2C(=O)OC(C)(C)C)c1	2069903346	YZLXACWFYSMNPT-HNNXBMFYSA-N	400.519	5.210	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2Br)cc1C	2080012290	MYEGZYRNRLXHKZ-KRWDZBQOSA-N	409.368	5.003	10	10	HKCE	
Cc1ccc(O)c(CNc2ccc(Cl)c(I)c2Cl)c1	2093949983	VOZZDSSJBBKVGN-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1	2321609750	CXBYPVYFBJWNPE-UHFFFAOYSA-N	415.845	5.470	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)c1	2332119144	IKYWGOMEGGCXOW-UHFFFAOYSA-N	403.309	5.584	10	10	HKCE	
CCCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S	6778934	WDWUAGQGPWFVHA-JMIUGGIZSA-N	413.608	5.471	10	10	HKCE	
COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)c1	10011870	VBZUBEXIUDCUIT-OCEACIFDSA-N	418.478	5.015	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	13645220	KAEXFUMMHDOLAT-XFAFFCHDSA-N	423.560	5.856	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21)N1CCCCC1	14464163	UQANYFYTXAXGFD-SYVJQLTCSA-N	408.545	6.292	10	10	HKCE	
O=C(c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21)N1CCCCCC1	14466294	RIIZAYKZASOHEE-YZZKKUAISA-N	406.957	6.183	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471162	HNPYTMDTJWBPBF-HOIFWPIMSA-N	414.889	5.490	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@@H]3C=CC[C@H]32)cc1	20717468	MRKCZNKOMAEUEK-RQTOMXEWSA-N	416.565	5.974	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749353	YYJOCGZEKWCIPH-NWOYTWEOSA-N	424.544	6.013	10	10	HKCE	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	59858639	WTBOWZUQKFWVQN-UCQKPKSFSA-N	413.525	5.133	10	10	HKCE	
CC[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O	311305834	KBRYFHXTZNDNCL-HNNXBMFYSA-N	421.335	6.065	10	10	HKCE	
CC[C@H](NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388466936	DLVIRJCSEHZTDO-NQIIRXRSSA-N	417.391	5.108	10	10	HKCE	
CCOc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)c1	1865670036	FHCAVLFLHFZWQK-JCMHNJIXSA-N	402.881	5.573	10	10	HKCE	
Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2Br)cc1C	2080025214	NRJJOXUMESIWPM-KRWDZBQOSA-N	407.352	5.323	10	10	HKCE	
O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2293139936	ZAZGSLHWCOKTRH-HNNXBMFYSA-N	424.330	5.021	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	2297561697	UJCFBXZLNHWXBT-UHFFFAOYSA-N	410.303	5.128	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S	2314539171	MHQVFYKOMYKSQF-UHFFFAOYSA-N	424.330	5.186	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3cccc(Cl)c3C)C2=O)cc1	2321602866	HGZCJPNHTZRXFB-UHFFFAOYSA-N	416.999	5.900	10	10	HKCE	
C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O	6175529	KIFVNBFHUALSJZ-OTGIAGGSSA-N	413.951	5.449	10	10	HKCE	
COCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461145	PWHSJBPBOSXYPK-GCKMJXCFSA-N	416.315	5.006	10	10	HKCE	
Cc1ccc(Cl)c2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476589	KZLTYUJLQWPSEB-OUDXUNEISA-N	401.937	7.054	10	10	HKCE	
CC1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(N(C)C)cc2)[C@H]2CC=C[C@@H]32)CC1	20686676	ABMUIXYJEWYBFJ-OTNCWRBYSA-N	415.581	5.451	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	20695918	XQCDBINUBYEAEZ-CZIZLABSSA-N	405.223	5.029	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(OC)ccc3ccccc13)N2	226856593	SZPKUOCVJFGKJQ-SWYRRKHMSA-N	401.506	5.700	10	10	HKCE	
Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2	250502719	IGQNBRGLSNWWNX-KNKQGSTJSA-N	423.297	6.271	10	10	HKCE	
O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(N=Nc2ccccc2Cl)c1O	1088667218	SNFIGHBMAIIQIV-UHFFFAOYSA-N	417.856	5.899	10	10	HKCE	
CN(C)c1ccc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)cc1	1865654259	MYTFRRFBJOYKOS-KQWNVCNZSA-N	415.924	5.236	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)cc1OC	1865671103	KGYOPHPYXLANTL-HYARGMPZSA-N	406.526	5.293	10	10	HKCE	
Cc1c(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c(=O)oc2ccc(Cl)cc12	1866292815	FPKZMQGRFHTEPR-UHFFFAOYSA-N	418.880	5.180	10	10	HKCE	
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2cccc(Br)c2O)c1	1925139468	MZRBKORNJZWSCF-CYBMUJFWSA-N	421.335	5.353	10	10	HKCE	
O=C1C(=Cc2ccccc2OCc2ccccn2)SC(=S)N1c1ccccc1F	2040499043	FNKNTUMJCZCZRG-UHFFFAOYSA-N	422.506	5.206	10	10	HKCE	
COC(=O)c1ccccc1N1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=S	2314539159	MEDNUVAZCLEXPK-UHFFFAOYSA-N	415.923	5.002	10	10	HKCE	
CN1N=C(c2ccccc2)C(=Cc2ccccc2OCc2ccccc2Cl)C1=O	2332133313	ZFZTVGLILKNGBZ-UHFFFAOYSA-N	402.881	5.179	10	10	HKCE	
CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1	12691353	MQSMEQVXBCJIMW-DEOSSOPVSA-N	415.493	5.033	10	10	HKCE	
COc1ccc([C@H]2Nc3c(C(=O)N(C)Cc4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1	13635668	QWDFCPDOPMKLRJ-PPJWLVRDSA-N	424.544	5.794	10	10	HKCE	
O=C(CCC(=O)OCCCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1	14004207	SIMKPEZXFOPGLZ-BYYHNAKLSA-N	415.493	5.997	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456578	VAWGEPIEFCXNIV-FPGHNAPASA-N	400.547	5.813	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463110	GHLKUJPNEOUJII-SGIRGMQISA-N	415.581	5.024	10	10	HKCE	
COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477877	QNRZBEILOWIELE-CKJXQJPGSA-N	417.336	5.196	10	10	HKCE	
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548643	WARLQDDPAIVKEA-SELNLUPBSA-N	422.575	5.400	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549124	KBPHXYMUPXMJSX-WOVHNISZSA-N	416.351	8.126	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14552386	VOTPKVLCNUMJGU-IBGGVINMSA-N	422.572	6.999	10	10	HKCE	
CC(/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccccc2C)C1=O)=C\c1ccccc1	15045609	FGBGYBBVNGVORW-KKRKPEQVSA-N	422.575	5.170	10	10	HKCE	
COc1ccc2ccccc2c1[C@@H]1Nc2ccc(Nc3ccccc3)cc2[C@@H]2C=CC[C@@H]21	226885339	KPMVVNJQFLAJMG-UAABGXCFSA-N	418.540	7.419	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	1084047214	AWFFLLUUKMKJNL-OQLLNIDSSA-N	423.390	5.881	10	10	HKCE	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccc(F)cc1	1084387402	XUJJGQSWIWATTN-RIYZIHGNSA-N	413.326	5.403	10	10	HKCE	
CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	1860087427	WQEJCCUXYBXQND-OQLLNIDSSA-N	423.346	5.358	10	10	HKCE	
O=C(CCNCc1cc(Cl)ccc1O)Nc1cc(Cl)c(Cl)cc1Cl	1860715052	LCKPFIILOVDEHY-UHFFFAOYSA-N	408.112	5.124	10	10	HKCE	
CCN[C@H](c1ccc(N(C)C)cc1)c1scc(Br)c1Br	2163068132	DWEAHSLUXCAYFN-CQSZACIVSA-N	418.198	5.038	10	10	HKCE	
CC[C@@H](N[C@@H](C)c1cscc1Br)c1cc(Br)ccc1O	2186652223	NUXQJULGBBQIIJ-LKFCYVNXSA-N	419.182	5.781	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1	2296677364	WCJQSMQMKNNZJC-UHFFFAOYSA-N	404.438	5.593	10	10	HKCE	
Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1	2297469884	DVAALLJALCBZIO-UHFFFAOYSA-N	419.554	5.068	10	10	HKCE	
Cc1ccc(CN(C)c2ccc(Br)cc2Cl)c(O)c1Br	2381143389	QLRJRUPXLWVLIH-UHFFFAOYSA-N	419.544	5.515	10	10	HKCE	
Cc1cccc(N2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1	1134222	XNERTSOMVXRGHG-GZTJUZNOSA-N	413.260	5.023	10	10	HKCE	
CN(C)c1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)cc1	8590188	XYYNYLOSWBMUBO-UHFFFAOYSA-N	423.969	5.406	10	10	HKCE	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1	13058464	KCROZWIHMZKPHI-VGOFMYFVSA-N	410.303	5.097	10	10	HKCE	
COc1ccc(-c2csc(N3N=C(C)/C(=C/c4ccc(Cl)cc4)C3=O)n2)cc1	13426578	FCKGZWQBYRMYOA-WQRHYEAKSA-N	409.898	5.278	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)ccc21	13642528	NZEXAJXHGNEMQC-UDJSKEQPSA-N	409.489	6.549	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)c(C)c1	14457912	YQUDNNYFHOBFQQ-GDLBMTQOSA-N	416.565	5.347	10	10	HKCE	
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460691	AULNOFZTNSPIKG-MXBUBSDBSA-N	408.929	5.075	10	10	HKCE	
Oc1ccc2ccccc2c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@H]2C=CC[C@H]21	14547947	GJWINZDCVDKGHM-PXIJXODZSA-N	416.735	7.332	10	10	HKCE	
CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN23)cc1OC	20070670	NOPNGIPQCQNRQM-NLFFAJNJSA-N	416.477	5.042	10	10	HKCE	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(C)C)c1C	103958956	QYWBKLLHQBWJNM-SFQUDFHCSA-N	411.527	5.075	10	10	HKCE	
Nc1ccc(N(C(=S)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1	242841895	FWMUFWYHLZHWMK-UHFFFAOYSA-N	422.985	5.167	10	10	HKCE	
Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1	526457045	TULQBCQCAVSHBK-DEOSSOPVSA-N	416.496	5.566	10	10	HKCE	
Cc1ccccc1N1C(=O)C(O)=C(c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1	526496426	NUXWXFWNYMFNFN-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
O=C1/C(=C\c2ccccc2F)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	1083957416	ZAEIELDHPVCZKU-VGOFMYFVSA-N	417.836	5.904	10	10	HKCE	
CC(C)OC(=O)c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1	1860086735	DJOLQOLGWLJACL-YBFXNURJSA-N	422.531	5.139	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860086874	MLHQVZISTIXOOF-LZYBPNLTSA-N	410.347	5.716	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	1860087771	SPDLFYPTIXWULA-LFIBNONCSA-N	409.454	5.553	10	10	HKCE	
CCCCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc1	1865668153	IPAHWJPHLJWMGO-PLRJNAJWSA-N	410.517	5.696	10	10	HKCE	
CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc1	1865669700	RUDDNXOQMNNYGL-WJDWOHSUSA-N	408.807	5.083	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	1914879873	YZOKSEILSMRVHE-HNNXBMFYSA-N	402.357	5.771	10	10	HKCE	
O=C(C(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)c1ccnc(NC2CC2)c1	2059920988	PHTRHKNLXZYRCS-UHFFFAOYSA-N	422.484	5.454	10	10	HKCE	
CC(=C1SC(=S)N(c2ccc(C)cc2C)C1=O)c1ccc(Br)cc1	2296882144	KBMHFUXAPQYLEC-UHFFFAOYSA-N	418.381	5.862	10	10	HKCE	
CC(C)CN1C(=O)C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	2314432936	IAOCABCBWZPJLS-NRFANRHFSA-N	407.560	5.604	10	10	HKCE	
CC(C)Oc1cccc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1	2318683871	KBLAEKDUISBREN-XPYUAMARSA-N	401.597	5.500	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccccc1Br	2321613358	VNAOWZCILCWPHO-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1	2321680679	BIMKSMXIRMROLX-UHFFFAOYSA-N	405.957	5.072	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1	2332116375	HAVVTVOLYCGFKZ-UHFFFAOYSA-N	410.517	5.684	10	10	HKCE	
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1	2332132565	NQVLZFCVMDSZCM-UHFFFAOYSA-N	416.908	6.034	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1	2332134519	GABGPDSVMBYPFI-UHFFFAOYSA-N	404.253	5.093	10	10	HKCE	
CCC(CC)(CNCc1ccc(C)c(Br)c1O)N(C)Cc1ccccc1	2352686277	JKKRLVZMIAYAOI-UHFFFAOYSA-N	419.407	5.244	10	10	HKCE	
Cc1ccc(CNc2cccc(NC(=O)OC(C)(C)C)c2C)c(O)c1Br	2352943372	SGEUJMGEBHGLRU-UHFFFAOYSA-N	421.335	5.731	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3O)C2)cc1	4730037	FIKBKRWWPDWUPY-GMAHTHKFSA-N	411.332	6.230	10	10	HKCE	
CC[C@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(N(CC)CC)cc1)[C@H]1CC=C[C@H]21	14462194	WTDKQOWJOZIHJY-ZURQEGGNSA-N	417.597	5.888	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@@H]21	14478669	QIZZVVIVANRXPZ-HWBMXIPRSA-N	422.594	5.242	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(Br)cc1	33377437	UYWWLCSQYSVLAB-NTEUORMPSA-N	410.745	5.508	10	10	HKCE	
COc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1	49600105	DFNKZLYUGPUDOJ-UHFFFAOYSA-N	422.477	5.369	10	10	HKCE	biogenic
Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1	53364941	NGNRASULLBIOSE-JPYJTQIMSA-N	424.859	5.136	10	10	HKCE	
CCCCCC1(C)OC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O1	58834155	UMIXLGGLJXDJAF-UHFFFAOYSA-N	402.874	5.688	10	10	HKCE	
CCNCc1ccc(N(C)Cc2csc(Br)c2)c(Br)c1	233558425	FGHXHRLYHJVQQF-UHFFFAOYSA-N	418.198	5.019	10	10	HKCE	
CCCOc1cc(C(=O)Nc2cccc(N(C)C)c2)cc(OCCC)c1OCCC	586743682	PBUQVJLYLIEKLB-UHFFFAOYSA-N	414.546	5.371	10	10	HKCE	
CCCCC[C@@H](CC)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	1858591080	WWMXDFNYJBVSCK-KWWJGWKXSA-N	412.964	5.808	10	10	HKCE	
CCOc1c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)cccc1OC	1865669954	AGRPZPWMYZAAHJ-RVDMUPIBSA-N	419.308	5.597	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cccs2)cc1	1865670567	GKJGOLYQUCACRW-CPNJWEJPSA-N	408.910	5.240	10	10	HKCE	
CCCCCCn1cc(OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1870999408	JBVOTNMTKHFVHV-UHFFFAOYSA-N	405.542	5.793	10	10	HKCE	
Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O	1873423691	HMYVFUFJIZZLIB-UHFFFAOYSA-N	413.521	5.003	10	10	HKCE	
COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(C(F)(F)F)c3)c2C)cc1	1874126120	BFGWORPWKNKRMZ-UHFFFAOYSA-N	402.416	5.052	10	10	HKCE	
COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C	1874147744	OMHWSOYQXNXJRY-UHFFFAOYSA-N	417.553	5.591	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1Br	1946798480	VKUWQDWLMZIKKA-UHFFFAOYSA-N	401.270	5.128	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	2297470107	AISFBAYOWBANSV-UHFFFAOYSA-N	417.321	5.178	10	10	HKCE	
CCOc1ccccc1N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S	2318757339	YVAOMASNHNFRIL-UHFFFAOYSA-N	410.347	5.798	10	10	HKCE	
COc1ccc2[nH]cc(C=C3SC(=S)N([C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)C3=O)c2c1	2323680904	VDAYKMGIJZWUPH-XJIUQZFPSA-N	412.580	5.202	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cccc3ccccc23)cc1	2332099771	CVXXJBUKTGJILB-UHFFFAOYSA-N	418.496	5.679	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2ccc(C)cc2)cc1	2332105061	UKVPEQYNEVSLLL-UHFFFAOYSA-N	418.496	5.991	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	2332122498	YCOWCDGXCCERES-UHFFFAOYSA-N	408.807	5.083	10	10	HKCE	
COc1ccc(C2=NN(c3cccc4ccccc34)C(=O)C2=Cc2sccc2C)cc1	2332127600	NVOHIKPTGVOKJI-UHFFFAOYSA-N	424.525	6.053	10	10	HKCE	
COc1cc([C@@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13641471	LFXULZYPBIRMJR-IXFSTUDKSA-N	409.526	5.574	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(OCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	14463238	LXYMTCUVSMTCEO-ZEZDXWPOSA-N	409.573	7.258	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	14477672	HLWSMSMWBABADP-AVYPCKFXSA-N	401.337	5.960	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(C(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21	14545799	IVMKSLXDIQZBOI-ISJBWFOZSA-N	416.565	5.928	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	14547090	XNLKXTITCYEKMD-VFCRVFHLSA-N	401.337	5.960	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@H]3C=CC[C@@H]32)cc1	14552060	ZSQOBVKHEWAYEM-HFMPRLQTSA-N	418.606	6.251	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3ccccc3C)cc2[C@H]2C=CC[C@H]21	14552506	DHSPUWPZKWYDLP-OREGWCPLSA-N	424.544	6.473	10	10	HKCE	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc(Cl)cc(Cl)c1	17083115	UWNIJVSYTOLHEL-LICLKQGHSA-N	405.241	5.010	10	10	HKCE	
O=C1c2ccccc2C(=O)c2c1ccc1c(N3CCCC3)cc(-c3ccccc3)nc21	20530304	AAKKEOZIKZDVDJ-UHFFFAOYSA-N	404.469	5.277	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21	20749318	OSLXBQQGKMCOIV-UMEGOILYSA-N	410.517	5.452	10	10	HKCE	
COc1cccc([C@@H]2Nc3c(C(=O)N4CCCCCC4)cccc3[C@@H]3C=CC[C@H]32)c1	20755473	KYZRZPJRPOAGSJ-LGVFNWMJSA-N	402.538	5.538	10	10	HKCE	
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1CCc1ccc(Cl)cc1	33385094	VTCBTYPPTMKZGA-ZHZULCJRSA-N	409.963	5.937	10	10	HKCE	
Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1	33458463	JDYHHOFSQCHQMP-FYJGNVAPSA-N	421.543	5.568	10	10	HKCE	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=S	97411164	XFLPPDHQUWVTAV-KELUXRKGSA-N	409.507	6.048	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21	226867339	SQVJXVXUAYDOMJ-QEEYODRMSA-N	417.290	5.516	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226899661	JBBCXSYCLCKWFE-AHPZMPFVSA-N	405.541	7.608	10	10	HKCE	
O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cc(Br)c[nH]1	253615906	MFDRCOANWKOOOV-NRFANRHFSA-N	421.294	5.155	10	10	HKCE	
CC[C@H](NCC1(CCOCc2ccccc2)CC1)c1cc(Br)ccc1O	702877476	FNEKRWLQCNNXND-FQEVSTJZSA-N	418.375	5.583	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc(N=Nc2cc(-c3ccccc3)ccc2O)cc1	1083919527	DRDKYGNKGOIGFX-UHFFFAOYSA-N	409.511	5.505	10	10	HKCE	
COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccccc2)cc1	1865649996	PQWIUGBZCSGPTK-PXLXIMEGSA-N	402.881	5.179	10	10	HKCE	
CCCOc1cccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)c1	1865668618	ICAOJQZDGURFHA-ATVHPVEESA-N	422.834	5.473	10	10	HKCE	
CCc1ccc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2c2ccccc2)cc1	1865675069	NAAQNJISSIKKKH-JWGURIENSA-N	400.909	5.733	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccccc2C)cc1	1865680373	IVNJKUNRBKYGIJ-PCLIKHOPSA-N	410.517	5.451	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2223539446	MRNVVJHEVBXQMU-QGZVFWFLSA-N	401.392	5.896	10	10	HKCE	
COC(=O)c1ccc(C=C2SC(=S)N(c3cccc4ccccc34)C2=O)cc1	2297366620	RJOYWGGREJVLSN-UHFFFAOYSA-N	405.500	5.032	10	10	HKCE	
Oc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c(O)c1	13640340	PLAPINMFXAVWHP-WOVHNISZSA-N	405.538	6.274	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)OC)cc4[C@H]4C=CC[C@@H]43)ccc21	13642548	SIKQHTCFIBXJGO-NJVGLYJLSA-N	422.528	6.428	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)s1	14456604	ITXABGMGUREIJO-BZEMNPKYSA-N	414.574	6.374	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2)N3)CC1	14465600	XJIRHYGOCDVLOP-LGVFNWMJSA-N	406.957	6.039	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCCC1	14548296	GSYLJCFFZDPYMY-UZINWLIJSA-N	410.517	5.608	10	10	HKCE	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1	17091353	TWYBTPZAIZPSFU-DEDYPNTBSA-N	418.324	5.891	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3O)C2)cc1	53363090	HIMNHFKOCICJON-UPVQGACJSA-N	406.913	5.667	10	10	HKCE	
Cc1ccc2ccc([C@@H](Nc3ncc(Cl)cc3Cl)c3ccncc3)c(O)c2n1	54200435	LQVFXYQXICVXOC-SFHVURJKSA-N	411.292	5.547	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccco2)ccc2cccnc12	54620553	PYPDEJUTUARBFC-LJQANCHMSA-N	418.802	6.407	10	10	HKCE	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3)SC2=S)cc1	103726832	YWWMSPVMGDJGLY-CXUHLZMHSA-N	410.347	5.798	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O	226712514	ATUWBUVGFPJWHW-RNHFSVANSA-N	418.537	5.244	10	10	HKCE	
CN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccccc1	226727452	WHQKUPZUXJQWNG-OTNCWRBYSA-N	414.936	6.443	10	10	HKCE	
CCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2	226894936	JNSAZSCBQBWQFO-YPCDYVTLSA-N	412.533	5.902	10	10	HKCE	
CC[C@H](Nc1cnc(Br)c(C)c1)c1cc(Br)ccc1O	234029771	UIWRUKYGDBCZGG-ZDUSSCGKSA-N	400.114	5.184	10	10	HKCE	
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	311309139	QONGVRLCTMBRQE-HZPDHXFCSA-N	403.350	5.015	10	10	HKCE	
CC(C)c1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860086516	NIEMLKCSIGIKMH-RQZCQDPDSA-N	408.375	6.523	10	10	HKCE	
CCCCCOc1c(Br)cc(/C=C2/C(=O)N(CC)N=C2CC)cc1OC	1865667690	KYUHXZCOXVJZIX-RVDMUPIBSA-N	423.351	5.038	10	10	HKCE	
CC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	1865668114	HAVVTVOLYCGFKZ-WGOQTCKBSA-N	410.517	5.684	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2nc(O)c3ccccc3n2)cc1	1873518577	AWFVCELXKRTGLI-UHFFFAOYSA-N	423.520	5.247	10	10	HKCE	
CCCCCCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1874155081	TXJMKNODXJXFSI-UHFFFAOYSA-N	404.554	6.614	10	10	HKCE	
CN[C@@H](C)c1ccc(N(CCC(F)(F)F)Cc2ccccc2)cc1Br	2034729080	ZOGNUKBPPURXHA-AWEZNQCLSA-N	415.297	5.689	10	10	HKCE	
COc1cccc(O)c1[C@@H](C)n1nc(C2CCCCC2)cc1C(=O)OC(C)(C)C	2069900759	CUYJJHYONRRCAV-OAHLLOKOSA-N	400.519	5.210	10	10	HKCE	
CCOC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1Cl	2079970403	RLADNHJWOQFUBN-LJQANCHMSA-N	404.938	5.549	10	10	HKCE	
Cc1nn(-c2ccccn2)c2c1[C@@H]1Nc3ccccc3NC[C@H]1[C@H](c1ccccc1)C2	2080385376	DDKFVQKWTKCFDV-CUVVAGTFSA-N	407.521	5.111	10	10	HKCE	
Cc1c(Br)ccc(NCc2cc(Cl)cc(Br)c2O)c1C	2154857152	GOAAOENOEVJOGD-UHFFFAOYSA-N	419.544	5.800	10	10	HKCE	
CC1=CSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=N)N12	2297317105	ZKRAQJGEOPNGAD-UHFFFAOYSA-N	410.930	5.223	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1	2323840480	ISJSVJVEFXHXCW-UHFFFAOYSA-N	416.999	5.588	10	10	HKCE	
CCCN1N=C(CC)C(=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O	2332111116	ZSUKPUQQTJEGTC-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CC)cc1OC	2332124399	ZGEMFISHQBSDCW-UHFFFAOYSA-N	420.553	6.159	10	10	HKCE	
CCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1	6877992	GJRSBEPPFMSBHC-SFHVURJKSA-N	402.538	5.239	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2	13640450	GHYVEBGSMRUQHU-YDIMBITNSA-N	406.526	5.187	10	10	HKCE	
CN(C)c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13644812	STTQQGNHVOPDNP-VBOOUTDYSA-N	416.609	6.928	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456603	ITXABGMGUREIJO-ZHZLYBIUSA-N	414.574	6.374	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21	14461221	JVMDNRMRSPWTFI-BXTJHSDWSA-N	400.316	5.768	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462982	GYOJUPZGYMHABF-NLJOTIRTSA-N	422.572	6.567	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1Cl	14476886	DDXYSCCSUVVTDE-QZTZHPFYSA-N	407.344	7.564	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14478765	PZNXHXGZKLDVCA-FXSPECFOSA-N	408.545	5.794	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@@H](c1cccc(OC)c1)[C@H]1CC=C[C@H]21)c1ccccc1	14550570	HWKPQQGVLXZQAM-FXSPECFOSA-N	424.544	6.188	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CC=C[C@@H]21	19888006	ZRNHDBLFWGXEPB-YOSAUDMPSA-N	422.355	7.399	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	96505381	SBJNJLWASIZHJU-CJLVFECKSA-N	417.555	6.447	10	10	HKCE	
CCOc1cc(Cl)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCC	96569773	JNIVHHOGQXXABL-WQRHYEAKSA-N	419.955	5.543	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	226680730	FUVXEWZPNGLINM-SLSDLSHTSA-N	422.594	5.421	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)CC1	226745523	UTGCFBIVQZOIFW-IECBHUPTSA-N	406.957	6.039	10	10	HKCE	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCOc2ccccc2F)cc1	254816857	UOTQPBWYYWKZCQ-UHFFFAOYSA-N	407.445	5.543	10	10	HKCE	
CC(C)(C)OC(=O)Nc1ccccc1NCc1cc(Br)cc(F)c1O	715803684	IIWQSBAOZSFCMB-UHFFFAOYSA-N	411.271	5.253	10	10	HKCE	
CC(C)(C)c1cc(Br)c(O)c(N=Nc2cc(Cl)cc(Cl)c2)c1	1084051099	BAHOWPHSXMUDKK-UHFFFAOYSA-N	402.119	7.174	10	10	HKCE	
Cc1ccc(CN2N=C(C(F)(F)F)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1	1865664468	DWEHQUIAQLZREC-ZSOIEALJSA-N	413.226	5.646	10	10	HKCE	
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1	1865678981	OBRRVHHCGWRVLF-QNGOZBTKSA-N	422.406	5.549	10	10	HKCE	
Cc1ccc2nc(C(C)C)cc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c2c1	1866272223	CXZSXVLLSXEVEL-UHFFFAOYSA-N	409.533	6.092	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(C=O)c2Br)cc1C	2079997288	AIVXRMYDDQBJRJ-LJQANCHMSA-N	405.336	5.293	10	10	HKCE	
Cc1ccc(I)c(NCc2cc(Cl)cc(Cl)c2O)c1	2231946329	ONNJNQGWGZTCGX-UHFFFAOYSA-N	408.066	5.224	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccccc1	2314753588	BSEVFBWSTLMHFN-UHFFFAOYSA-N	422.462	5.070	10	10	HKCE	
COc1cccc(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	2321685149	LNYNFKDDXJXBHE-UHFFFAOYSA-N	410.564	5.091	10	10	HKCE	
c1ccc(COc2ccc(N=NN(Cc3ccccc3)Cc3ccccc3)cc2)cc1	2330221782	NEPQRKANBVGDAS-UHFFFAOYSA-N	407.517	6.967	10	10	HKCE	
Cc1ccc([C@H]2Nc3c(C(=O)Nc4ccc(C)c(C)c4)cccc3[C@H]3C=CC[C@@H]32)cc1	14458576	XJMAPEDFWHMHSD-JCYRPKCISA-N	408.545	6.691	10	10	HKCE	
Clc1ccccc1[C@@H]1Nc2ccc(OCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21	14466473	ZDHPGLYTTQKLRE-IPVFLDMMSA-N	401.937	6.788	10	10	HKCE	
COc1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O	14468587	AJYVDNBOQVBNSS-AUSJPIAWSA-N	414.299	5.210	10	10	HKCE	
CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S	33703101	JIPPAEVWQVQEGO-LNNYTJQRSA-N	423.559	5.307	10	10	HKCE	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1	33737715	YFTZHXPYXMWNMQ-HMMYKYKNSA-N	424.591	5.178	10	10	HKCE	
Cc1ccc(N2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=S)cc1	35517359	PXSIXTAALYTDOF-UNOMPAQXSA-N	421.499	5.995	10	10	HKCE	
CC(C)(C)c1nc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2o1	71937099	XLIUUPVHQYXEFT-UHFFFAOYSA-N	424.570	5.000	10	10	HKCE	
O=C(CCCc1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	96506249	XBVXOMWHGQVQRG-UHFFFAOYSA-N	403.865	5.077	10	10	HKCE	
CC[C@H](N[C@@H](C)c1ccc(Br)cc1)c1cc(Br)ccc1O	109931395	DPCZMQOVZVUMIH-ZBEGNZNMSA-N	413.153	5.719	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)CC1	226791348	QASZDDLPQBJQSF-ZFGGDYGUSA-N	417.509	5.293	10	10	HKCE	
Cc1cccc(Br)c1NCc1cc(Cl)cc(Br)c1O	708135219	XWGLRWMAWISARZ-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1	1865679658	YSDFIKWJIHQFSN-XQNSMLJCSA-N	414.480	5.597	10	10	HKCE	
CSCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=S	2294821332	CKVFLFFMRJLZHY-UHFFFAOYSA-N	415.605	5.220	10	10	HKCE	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2323680454	DKXHGOONWZNOPD-UHXUPSOCSA-N	412.407	6.019	10	10	HKCE	
CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	10681783	IHYHHVJSAKPRRU-YCYIDCODSA-N	415.537	7.412	10	10	HKCE	
CCn1c2ccccc2c2cc([C@@H]3Nc4c(C)ccc([N+](=O)[O-])c4[C@H]4C=CC[C@@H]43)ccc21	13642370	XWDAWWRXHGXLOY-OSOCVKALSA-N	423.516	6.858	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)c(C)c1	14457919	WMZORVUJNJSVLY-LIXHSBQKSA-N	400.566	6.064	10	10	HKCE	
Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14464852	RTQZHQDYROZZRV-DAYGRLMNSA-N	407.682	5.771	10	10	HKCE	
CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	33398549	CVQBARYWUHHSGO-PGMHBOJBSA-N	408.592	5.988	10	10	HKCE	
Cc1nc(Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)cc(-c2ccccc2)n1	170570239	IGJACROLNIYYRL-UHFFFAOYSA-N	423.520	5.514	10	10	HKCE	
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	226711461	QEWRVFWFWQGRLE-WOIUINJBSA-N	416.974	5.197	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2c[nH]c4ccccc24)N3)CC1	226878557	SYXCZHQYQPVZED-KCPMXOJXSA-N	411.549	5.867	10	10	HKCE	
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2)N1CCOCC1	250497864	BXUUDLPFIBXYFT-PLXFJCCSSA-N	410.517	5.139	10	10	HKCE	
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	250910974	XQCDBINUBYEAEZ-VGTOOOLASA-N	405.223	5.029	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1cc(Cl)c(Cl)c(Cl)c1	708112030	CMCCOXNUSXWQGJ-UHFFFAOYSA-N	415.929	6.380	10	10	HKCE	
Cc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1	1858594248	QKNUQVIHDAILMH-LNKKFFRNSA-N	408.592	5.033	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1	1865656822	TYFSXGPWUXYYNT-SFQUDFHCSA-N	403.707	5.689	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)c(Br)c1	2034826017	CGBAZSBKPGGFCC-SFHVURJKSA-N	403.408	5.998	10	10	HKCE	
CCN[C@H](C)c1ccc(N(CC)CCCOCc2ccccc2)cc1Br	2096846514	TWEBZEBBMLNBNH-GOSISDBHSA-N	419.407	5.553	10	10	HKCE	
C[C@@H](N)c1ccc(N(C)[C@H](C)c2cscc2Br)cc1Br	2186593896	WUZUKVYABLKGCQ-NXEZZACHSA-N	418.198	5.490	10	10	HKCE	
CN(C)c1ccc(C=C2CCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1	2294778272	ATJIZPXGDIVKOJ-UHFFFAOYSA-N	402.541	6.968	10	10	HKCE	
O=C1C(=Cc2cccc(F)c2)SC(=S)N1CNc1ccccc1C(F)(F)F	2297325193	KMZPXCMJCSJTRQ-UHFFFAOYSA-N	412.433	5.115	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3ccccc3OC(F)F)C2=O)cc1	2297559091	LSJBZEVETYTVHM-UHFFFAOYSA-N	407.463	5.093	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2ccccc2C(F)(F)F)C1=O	2313610117	RQQQSGALTAQLGL-GFCCVEGCSA-N	400.491	5.176	10	10	HKCE	
CCOc1ccc(C=C2SC(=S)N(c3cc(Cl)ccc3OC)C2=O)cc1	2318756743	RZOWZJZWQBDTGK-UHFFFAOYSA-N	405.928	5.153	10	10	HKCE	
Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(N4CCCCC4)cc3)C2=O)c1	2321687243	NPRQPMCMZMBDAI-UHFFFAOYSA-N	410.564	5.097	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cccc(Cl)c2)cc1	2332099349	LVUINAKUMWFGEL-UHFFFAOYSA-N	416.908	5.487	10	10	HKCE	
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)c(C)c1	14457810	ZWFKUSRGSXVWBJ-SKPFHBQLSA-N	424.610	5.515	10	10	HKCE	
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461112	LFFRELXJVASXJQ-DRSNIGMVSA-N	414.343	6.016	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2	14461114	FXYJSHWHXFSUGX-VWKPWSFCSA-N	400.316	5.770	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1	14478351	VJQARFWVRGZZSM-KHCICDEESA-N	417.509	5.293	10	10	HKCE	
CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3Br)C2=S)cc1	34887797	RJHBKOOUHOBOOM-WJDWOHSUSA-N	419.369	5.557	10	10	HKCE	
Cc1c([N+](=O)[O-])ccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21	226709625	KUKFQILELUVBII-NQCMUKECSA-N	401.260	5.198	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21)N1CCCC1	226741349	FOWVGAXGMRCUHO-VWKPWSFCSA-N	423.900	5.311	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	226898979	XAEGNUSYYHQMKQ-KHVXQDHOSA-N	405.497	6.606	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	251153045	IGVXOLCPDJCEBN-KRLMVVBNSA-N	408.545	6.313	10	10	HKCE	
CC(C)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526473497	HZZMDOJJLPLUON-QHCPKHFHSA-N	418.562	5.995	10	10	HKCE	
Nc1ccc(CSCc2ccc(-c3csc(Cc4ccccc4)n3)cc2)cc1	1857850467	OFJMNKGWICDXPF-UHFFFAOYSA-N	402.588	6.417	10	10	HKCE	
CCCOc1ccc(/C=C2/SC(=S)N(CCC3=CCCCC3)C2=O)cc1OC	1858591067	WJJLLRZIYJWBDV-HMMYKYKNSA-N	417.596	5.576	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccccc3Cl)C1=O)cn2C	1860076508	FTHYKBXKTYARQB-GIJQJNRQSA-N	414.939	5.246	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1	1860076582	LZLUOTIRPZTSEI-QGOAFFKASA-N	421.509	6.454	10	10	HKCE	
CC(C)Oc1ccccc1/C=C1\C(=O)N(Cc2ccc(F)cc2)N=C1c1ccccc1	1865675880	FGMWQMHNAIRHCK-KQWNVCNZSA-N	414.480	5.443	10	10	HKCE	
COC(=O)c1c(NC(=O)CCCCCCC(=O)O)sc(C)c1-c1ccc(C)cc1	1866210009	POMJBWRFQWCKHW-UHFFFAOYSA-N	417.527	5.182	10	10	HKCE	
Cc1ccc(-c2nc(S(=O)(=O)Nc3ccc(O)cc3)c(-c3ccccc3)s2)cc1	1871285037	FKPANYSZQIANIP-UHFFFAOYSA-N	422.531	5.292	10	10	HKCE	
O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(C(F)(F)F)ccc1Cl	1891101549	SIZDFHHQOBQSCB-YOEHRIQHSA-N	408.851	5.278	10	10	HKCE	
NCc1cc(F)c(N(Cc2ccccc2)Cc2cccs2)cc1Br	1915419239	YKZZKTPMYCNHRU-UHFFFAOYSA-N	405.336	5.315	10	10	HKCE	
CC(C)(C)OC(=O)NC[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccccc1	2179667715	LWVIIAWLQINXLI-KRWDZBQOSA-N	411.329	5.055	10	10	HKCE	
CC(C)CN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S	2297362308	TZIYAHIENPGATD-UHFFFAOYSA-N	424.566	5.686	10	10	HKCE	
COc1cccc(COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1	2331594993	ZMOUXMZGVUJIGX-UHFFFAOYSA-N	413.564	5.131	10	10	HKCE	
CCOc1cccc(C=C2C(=O)N(c3cccc4ccccc34)N=C2c2ccccc2)c1	2332116781	ZRAGCFKXCIVEFB-UHFFFAOYSA-N	418.496	6.073	10	10	HKCE	
Cn1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)c2ccccc21	2332128888	NMTRKTVQHFPQJW-UHFFFAOYSA-N	419.406	5.680	10	10	HKCE	
CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1cccc(Cl)c1	2137334	JUASZKDQGXYDJK-XMMPIXPASA-N	418.928	5.334	10	10	HKCE	
CC[C@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14462323	UKWZKPUKLYSSHP-LWQANXONSA-N	417.597	5.888	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14463788	VLRSSTLOKYWSPF-DPPGTGKWSA-N	416.524	6.919	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2	14475048	IGQNBRGLSNWWNX-CNNODRBYSA-N	423.297	6.271	10	10	HKCE	
Cc1cc(C)c([C@@H]2Nc3ccc(NC(=O)c4ccccc4C)cc3[C@H]3C=CC[C@H]32)c(C)c1	14552388	VOTPKVLCNUMJGU-VYKTZEHYSA-N	422.572	6.999	10	10	HKCE	
CCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	20711704	OWHLLPJFGCKNRP-CKNLXJGOSA-N	401.337	5.960	10	10	HKCE	
Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-]	33424172	OENOVERJJIFHPS-NVNXTCNLSA-N	424.425	5.328	10	10	HKCE	
Cc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	33671945	OZHRLRNSXVOLJN-NOTYCKGNSA-N	417.321	5.178	10	10	HKCE	
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cccc(OC)c3O)C2)cc1	53362938	VLZXDSMODMSCEQ-URXFXBBRSA-N	422.912	5.285	10	10	HKCE	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(N(C)C)cc2)cc1	105440408	SFNLJAGCGHRUKI-XAEZVHHGSA-N	418.610	5.073	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250661509	ZYFIOZFKFYTNLB-NMMYMHLASA-N	414.461	5.706	10	10	HKCE	
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2	251322930	HEHVSEUZAQVWIC-YPXCTIMRSA-N	421.566	5.071	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cccc2ccccc12	1865658961	XDFNQVBEMIURMA-XMHGGMMESA-N	406.888	6.214	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1Br	1915458517	SHDPCUZNTRUFMU-PXNSSMCTSA-N	417.391	5.305	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2N=C(c3cccc(Cl)c3)OC2=O)cc1	2042445565	VORHRATUNKWTOT-UHFFFAOYSA-N	416.908	5.711	10	10	HKCE	
CC(C)CNCc1ccc(N(Cc2ccccc2)CC(C)(C)C)cc1Br	2095916072	IOVQQCZPKUYNOR-UHFFFAOYSA-N	417.435	6.247	10	10	HKCE	
CCC(C=C1Sc2ccc(OC)cc2N1CC)=C1C(=O)N(c2ccccc2)N=C1C	2295165159	SYCVVGKPMRQXDX-UHFFFAOYSA-N	419.550	5.598	10	10	HKCE	
CCCOc1cccc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)c1	2321698140	NDNNLGLQFRHSOM-UHFFFAOYSA-N	424.591	5.481	10	10	HKCE	
Cc1cc(C=C2SC(=S)N(c3ccc(Br)c(C)c3)C2=O)ccc1F	2321745637	WIUYLZKYFPEPRZ-UHFFFAOYSA-N	422.344	5.611	10	10	HKCE	
COC(=O)c1c(NC(=O)C=Cc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1	2326819130	GBIWWDRPGUYRJQ-UHFFFAOYSA-N	423.509	5.918	10	10	HKCE	
Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3cccc4ccccc34)C2=O)c1	2332099942	UTMKPKRZEROMIC-UHFFFAOYSA-N	408.423	5.801	10	10	HKCE	
Oc1c(Br)cc(Br)cc1/N=N/c1cccc2ccccc12	6598646	ILCNTHAVBAUHCQ-FMQUCBEESA-N	406.077	6.486	10	10	HKCE	
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21	14464031	OMNAGYWTTHIUHZ-DPPGTGKWSA-N	422.572	6.729	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3c(C(=O)NC(C)C)cccc3[C@@H]3C=CC[C@H]32)cc1	20697238	NQHIGWZEHINEFD-LGVFNWMJSA-N	403.570	5.498	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@@H]21	20719876	WONYJBUIDROMRY-COKJOHSESA-N	405.501	6.247	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	20753772	RYEBGPRMZVCNAI-AIUHUKMKSA-N	404.513	6.179	10	10	HKCE	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(OCCC3CCCCC3)cc2[C@@H]2C=CC[C@@H]21	226866301	GYNKWOLOQFTLHC-YZIHRLCOSA-N	418.537	6.771	10	10	HKCE	
Nc1ccc(N(C(=S)N(c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1	243546124	OHPMWIHHVFVAGA-UHFFFAOYSA-N	410.546	6.112	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1	526240352	DRGALRWZAYGLDH-QFIPXVFZSA-N	421.518	5.559	10	10	HKCE	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1	1084536147	REYRAEIGUAQLGS-QGOAFFKASA-N	402.972	5.592	10	10	HKCE	
CCC[n+]1c(C=Cc2ccc(N(C)C)cc2)cc(-c2ccccc2)cc1-c1ccccc1	1857878214	PPHKLYLMWYRGRS-UHFFFAOYSA-N	419.592	6.955	10	10	HKCE	
CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1	1860084913	XONXRAFZTKXDHG-KGENOOAVSA-N	410.608	5.551	10	10	HKCE	
CCCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1O	1865658884	VHKSWZNLKXLKEU-RVDMUPIBSA-N	419.308	5.290	10	10	HKCE	
CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1	1865668477	ZOPSAQPATCDAMG-CPNJWEJPSA-N	416.477	5.062	10	10	HKCE	
CCN1N=C(C(F)(F)F)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	1865669704	RYPSPWIKZLIDMQ-BOPFTXTBSA-N	408.807	5.083	10	10	HKCE	
CCOC(=O)c1c(NC(=O)CCCCCO)sc(C)c1-c1ccc(Cl)cc1	1866012224	AFLXWQGVBBNCDS-UHFFFAOYSA-N	409.935	5.045	10	10	HKCE	
CC(C)(C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)c1cccc(Br)c1	1866061955	QIRHTHXVFAMIKF-UHFFFAOYSA-N	423.354	5.538	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2034820102	HXVRPUZGNWJBDL-UHFFFAOYSA-N	401.392	5.755	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(Br)c1	2034829426	ZCMKHUAOQKJPMW-QGZVFWFLSA-N	403.408	6.000	10	10	HKCE	
CC(C)(C)OC(=O)c1cc(C2CCCC2)nn1Cc1cccc(Br)c1O	2069940181	PAWHHWKNDLMNCT-UHFFFAOYSA-N	421.335	5.012	10	10	HKCE	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CN=c1c2ccccc2[nH]c2ccccc12	2297321594	VMMGVPGYTZQXLH-UHFFFAOYSA-N	406.489	5.145	10	10	HKCE	
CCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1	2297344686	ONFDZFLSVHVSJR-UHFFFAOYSA-N	412.902	5.409	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1	2313502999	AFKWIDUEPOECLH-UHFFFAOYSA-N	409.363	5.573	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc1	2332099975	YGEMSGNXUMYXSC-UHFFFAOYSA-N	404.407	5.467	10	10	HKCE	
CCCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1cccc(OC)c1OCC	2332117402	CFSSCRKUUMBKGC-UHFFFAOYSA-N	414.505	5.833	10	10	HKCE	
CCOc1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C(F)(F)F)cc1	2332122254	KEAAMMWTBIDAPE-UHFFFAOYSA-N	402.416	5.046	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2c(C(=O)N(C)Cc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14455963	AYJDDMJPUYMTDE-IZIIKQMZSA-N	414.574	6.155	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2	14464581	LWSYTWGCEJMWQK-LOLUNWTRSA-N	424.588	6.929	10	10	HKCE	
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14465924	HHSLGDWITQJAJF-YZZKKUAISA-N	400.909	6.419	10	10	HKCE	
Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2)N3)c1	14553562	CTRTXMMWRPNZDJ-FBLLAGFSSA-N	414.936	6.727	10	10	HKCE	
Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1	20451977	IPMZOHIGXQFIKT-NRFANRHFSA-N	404.533	5.037	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	20681089	CBIPDGRRENUFQU-DBXWQHBBSA-N	414.343	5.691	10	10	HKCE	
CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1	33880892	XOFVDFLSIFXAJB-PLRJNAJWSA-N	409.533	5.363	10	10	HKCE	
COc1ccc(C2=C/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1	59425893	RTCVWIQXKUOMGT-UVTDQMKNSA-N	423.808	5.498	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	226725210	WYHWFVWWWHFFGK-WHSLLNHNSA-N	401.337	6.559	10	10	HKCE	
CC[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1cc(Br)ccc1O	311305835	KBRYFHXTZNDNCL-OAHLLOKOSA-N	421.335	6.065	10	10	HKCE	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C	1083922591	QKBOVWQVJFGEGB-UDWIEESQSA-N	413.564	5.505	10	10	HKCE	
CCCOc1cccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3C)C2=O)c1	1860084386	VHSSIMFIXGUSBF-WOJGMQOQSA-N	414.508	5.098	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cccc2c(O)cccc12	1860085258	ZPYCBWSFVFABAV-HYARGMPZSA-N	413.523	6.104	10	10	HKCE	
C[C@H]1[C@H](Nc2c(N)cccc2Br)CC(C)(C)CN1Cc1ccccc1	1916232934	CZAIMJXGQNULBX-HNAYVOBHSA-N	402.380	5.132	10	10	HKCE	
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	2297470532	ZJKYODSNTYKPGS-UHFFFAOYSA-N	419.554	5.130	10	10	HKCE	
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1	2313681739	MGDSAFOSOZYGDN-UHFFFAOYSA-N	413.496	6.382	10	10	HKCE	
CCOc1c(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cccc1OC	2332117580	XEQINZYFHFXMFX-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
COc1ccc([C@H](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)NC(C)=O)cc1	11328323	CEMSLSIBMDIKAI-JPUYLNEOSA-N	416.481	5.317	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2sccc2C)[C@H]2CC=C[C@H]32)cc1C	14455997	BORYFLQPYDCABQ-IZIIKQMZSA-N	414.574	6.752	10	10	HKCE	
Oc1ccc(Br)cc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	14461000	AWBPOTGKIJPWQK-DINDLPBHSA-N	411.126	6.288	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@H]3C=CC[C@H]32)cc1	14463039	VTAIQAXVQAPZJK-SGIRGMQISA-N	400.566	6.263	10	10	HKCE	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl	14470599	MVEJBPSSGLTRFL-JXQFQVJHSA-N	417.896	6.818	10	10	HKCE	
C1=C[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@@H](c3ccc4ccccc4c3)[C@@H]2C1	14475404	UEVWVYYFPPGCMU-HFASVGIHSA-N	403.525	7.245	10	10	HKCE	
COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1O	20070736	MNFBIVTZUKIBJQ-MBSDFSHPSA-N	422.868	5.002	10	10	HKCE	
Cc1cc(NCc2cc(Br)ccc2O)ccc1NC(=O)OC(C)(C)C	697602803	TYZUTVCEZYVAOU-UHFFFAOYSA-N	407.308	5.422	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(N=NNc2ccc(C(F)(F)F)cc2Cl)CC1	1860491681	UKYWYZDCKMMZLR-UHFFFAOYSA-N	406.836	5.537	10	10	HKCE	
CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	1865664909	RIXCGBXLFUTELM-XNTDXEJSSA-N	407.728	6.229	10	10	HKCE	
CCCC1=NN(CCC)C(=O)/C1=C/c1ccc(OCCc2ccccc2)c(OC)c1	1865667148	HRPBGCDSHICEJB-HEHNFIMWSA-N	406.526	5.108	10	10	HKCE	
CCN1C(=O)C(=Cc2ccccc2OCc2cccc3ccccc23)SC1=S	2293579824	ZPHOFOIMECOLEM-UHFFFAOYSA-N	405.544	5.640	10	10	HKCE	
CCc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1	2321655301	VVSHJLIDLVJAHW-UHFFFAOYSA-N	419.984	5.326	10	10	HKCE	
CCCOc1ccccc1N1C(=O)C(=Cc2ccc(SC)cc2)SC1=S	2321687236	LTXMCGPHLGUENC-UHFFFAOYSA-N	401.578	5.603	10	10	HKCE	
CC[C@@H](C)c1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	6391408	STWMZNPSLDJAPB-PXFSWQRTSA-N	401.532	5.496	10	10	HKCE	
O=C(NC1CCCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6781999	VYLKJSJZZKIAQE-UHFFFAOYSA-N	412.577	6.476	10	10	HKCE	
COc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	13636064	KSYBJFKDSTXEML-NLJOTIRTSA-N	411.545	6.533	10	10	HKCE	
Cc1ccsc1[C@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@H]21	14456045	WUKYEEQBHZUYEX-IMSXRSKXSA-N	403.547	6.341	10	10	HKCE	
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461960	BMIDJRUACMOEJU-SKVJQKLOSA-N	418.625	7.318	10	10	HKCE	
CC(C)(C)NC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	14477085	OCKDOVNSYALBKA-MNVSYLFESA-N	415.364	6.348	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)NCc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14545531	HWHAOEJDBXNOLF-ISJBWFOZSA-N	424.544	5.842	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2c(C(=O)N3CCC(C)CC3)cccc2[C@@H]2C=CC[C@H]21	20749397	DGMPOGGTCCZMJQ-KHCICDEESA-N	402.538	5.394	10	10	HKCE	
Oc1c([C@@H](Nc2ccc(Br)cn2)c2ccccc2)ccc2cccnc12	22019035	IOTNSFQEGNDYOS-IBGZPJMESA-N	406.283	5.299	10	10	HKCE	
CC(=O)N(/C=C/C=C\C=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccccc1	33922289	FPCSFEIRRCDMQE-KJSUFTORSA-N	420.559	5.054	10	10	HKCE	
Clc1cc(I)ccc1NCc1ccc(N2CCCC2)cc1	37313735	AFLCCXILIMKAHO-UHFFFAOYSA-N	412.702	5.157	10	10	HKCE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	38529359	CLKRBFGIDHLZDD-LHPOUCQDSA-N	407.558	6.786	10	10	HKCE	
CSc1ccc([C@@H]2Nc3c(C(=O)N4CCCCC4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226809602	PBOZBTCOYAPXQS-QTEQDKRBSA-N	404.579	5.861	10	10	HKCE	
Cc1cccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)c1	526207061	ZZJNDEMATYHDSP-QHCPKHFHSA-N	402.469	5.257	10	10	HKCE	
CCCCC[C@H](CC)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S	1858590724	GFIYDFBAVYITHE-VUODPORTSA-N	423.600	5.273	10	10	HKCE	
O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1c1cccc2ccccc12	1865664188	FANYNVSJWWLAGB-QNGOZBTKSA-N	416.402	6.342	10	10	HKCE	
CCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc1OCC	1865665294	LSXYSSVVZDTDDJ-LTGZKZEYSA-N	406.526	5.456	10	10	HKCE	
CN(C)c1ccc(-c2nc3cc(C(=O)NCCCCc4ccccc4)ccc3[nH]2)cc1	1872741461	QQJBJUANNRIVNK-UHFFFAOYSA-N	412.537	5.049	10	10	HKCE	
COc1cc(NCc2ccc(Cl)cc2O)c(Br)cc1Br	2146307680	COYXLMZGYANIMN-UHFFFAOYSA-N	421.516	5.191	10	10	HKCE	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1	2297302993	BYIUBEXYSDVBCE-UHFFFAOYSA-N	416.738	5.758	10	10	HKCE	
O=C1C(=Cc2cccs2)SC(=S)N1c1cc(C(F)(F)F)ccc1Cl	2313609432	HYIZERZKPMCYHC-UHFFFAOYSA-N	405.875	5.826	10	10	HKCE	
Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2cccc(Cl)c2C)C1=O	2321602883	LWIRBSMWPHRPBH-UHFFFAOYSA-N	419.984	5.380	10	10	HKCE	
c1ccc(Oc2ccc(N=NN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	2330202633	WUXOEJPDSFRIGS-UHFFFAOYSA-N	416.481	5.024	10	10	HKCE	
CCOc1cc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CC)ccc1O	2332094783	HATZGVZIHDUMJL-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE	
COc1ccc2ccccc2c1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1C	2332113514	CQJXKQDAPIZJGI-UHFFFAOYSA-N	408.860	5.443	10	10	HKCE	
CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N(CC)CC)cc1	2332130767	TYRQMNUQYJVLCZ-UHFFFAOYSA-N	416.352	6.036	10	10	HKCE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ccc(C)c(Br)c1O	2352679704	MUKWGSOXZCWTJE-UHFFFAOYSA-N	421.335	5.731	10	10	HKCE	
CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S	2672990	OANWZDJCSXPKLO-RGEXLXHISA-N	411.548	5.216	10	10	HKCE	
CSc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	14551790	FKVZBUKHEZHWCR-FCEWJHQRSA-N	419.331	5.840	10	10	HKCE	
CC[C@@H](NCc1cc(Br)ccc1F)c1cc(Br)ccc1O	41069205	YMGYPFWRWMBTGF-OAHLLOKOSA-N	417.116	5.297	10	10	HKCE	
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2	226834130	OLJDLTFHSDPRPT-IWHLBADBSA-N	411.545	6.881	10	10	HKCE	
Cc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c(C)c1	1084592706	AHYPMECUTCEFOH-SXGWCWSVSA-N	423.390	5.881	10	10	HKCE	
Nc1ccc(Cc2ccc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cc2)cc1	1865975493	ADOQGBQFBHRPEQ-UHFFFAOYSA-N	420.310	5.356	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC[C@]2(NCc3cc(Cl)cc(Cl)c3O)CCC[C@@H]12	2154577439	RWEIREAMXRQUMT-OXQOHEQNSA-N	415.361	5.111	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]12CCC[C@@H](CN1Cc1ccccc1)C2	2200734441	BBQAIOZQUPRVNT-VGSWGCGISA-N	405.369	5.233	10	10	HKCE	
CC[C@H](C)NCc1ccc(N(Cc2ccccc2)[C@H]2CCOC2)cc1Br	2231454911	RCYHTBCXFWSBCG-UWJYYQICSA-N	417.391	5.133	10	10	HKCE	
CCOc1ccc(N2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)cc1OCC	2321733839	GKGFRNSFJCYXOP-UHFFFAOYSA-N	413.564	5.452	10	10	HKCE	
O=C1C(=Cc2ccc(O)cc2)SC(=S)N1C1CCCCCCCCCCC1	2323739639	BKWUSOLSIAEUQR-UHFFFAOYSA-N	403.613	6.267	10	10	HKCE	
O=C1C(=Cc2ccccc2Br)SC(=S)N1CCc1ccc(F)cc1	2323858600	QLAOUIMVHFXKNK-UHFFFAOYSA-N	422.344	5.032	10	10	HKCE	
CCCCOc1ccc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2CC)cc1	2332116454	PSCSQARAEXWOFA-UHFFFAOYSA-N	414.908	5.850	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F	2332133231	PKUQMCRPSYZYEC-UHFFFAOYSA-N	422.834	5.473	10	10	HKCE	
COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cccc(F)c2)cc1	2332140879	RUUIDYGBEDIZEH-UHFFFAOYSA-N	414.480	5.281	10	10	HKCE	
CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1	5633580	OAXOEWZDYJLHDO-BOPFTXTBSA-N	416.955	5.010	10	10	HKCE	
O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Cl)s1	8864765	BMJZYRMIIVPCDI-UHFFFAOYSA-N	422.940	5.185	10	10	HKCE	
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	13645073	CJXMEAGHMRBKNC-JCYRPKCISA-N	415.581	5.595	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21)N1CCCCCC1	14460446	OVVXGXXLKOGUPJ-SXWKCWPCSA-N	406.957	6.183	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2	14467141	GIKXUJZKTOPLLS-STXHMFSFSA-N	418.320	6.092	10	10	HKCE	
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	14478346	CYPYGJSDUIIDKA-DGCWBMGLSA-N	411.889	5.813	10	10	HKCE	
Cc1ccccc1[C@@H]1Nc2c(C(=O)N[C@@H](C)c3ccccc3)cccc2[C@H]2C=CC[C@H]21	14478795	IGVXOLCPDJCEBN-AHMOOEFLSA-N	408.545	6.313	10	10	HKCE	
Cc1cc(Br)c(N[C@@H](C)c2ccc(O)cc2O)c(Br)c1	20487379	MWVMLMMDNHXOPU-VIFPVBQESA-N	401.098	5.104	10	10	HKCE	
COCCNC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	20711889	LMFBUDVOXAPLTJ-JZKQVHKSSA-N	417.336	5.196	10	10	HKCE	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	34139129	LSYSKJZFAQBVAQ-KQWNVCNZSA-N	418.452	6.219	10	10	HKCE	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1	59522370	PDRYHJZTZJWPJD-BYYHNAKLSA-N	415.453	5.271	10	10	HKCE	
Nc1ccc(N(C(=S)NCc2cccc(Br)c2)c2ccccc2)cc1	243756127	PZBQLSXNYPPKRB-UHFFFAOYSA-N	412.356	5.244	10	10	HKCE	
CC(C)(C)CC(C)(C)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S	1858590220	CKPIECOBMALOHN-GXDHUFHOSA-N	401.519	6.121	10	10	HKCE	
CCCCc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1	1860076462	AQHSMHUNLYQHND-LDADJPATSA-N	403.956	5.794	10	10	HKCE	
CN1N=C(c2ccccc2)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O	1865674140	PHMOXWVXICNMHV-QNGOZBTKSA-N	402.881	5.179	10	10	HKCE	
CC(C)(C)CN(Cc1ccccc1)c1ccc(CNC2CC2)cc1Br	2034791118	AGLWOFQKCOEERY-UHFFFAOYSA-N	401.392	5.754	10	10	HKCE	
O=C1OC(c2ccc(F)cc2)=CC1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	2293294620	RLJAVNUTMIAJFQ-UHFFFAOYSA-N	406.840	6.039	10	10	HKCE	
Cc1cc(C=C2C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	2297499899	MUNNEBSRRLZLGD-UHFFFAOYSA-N	417.321	5.178	10	10	HKCE	
CCOc1ccc(C2=NN(C(C)=CC(C)(C)O)[C@H](c3ccccc3O)C2)cc1Cl	2297511117	JGTCXKHOPWHMJT-FQEVSTJZSA-N	414.933	5.270	10	10	HKCE	
COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1	2313676642	NPESTFOXCZXAEV-UHFFFAOYSA-N	416.506	5.637	10	10	HKCE	
Cc1cc(Cl)ccc1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1	2330152965	FOXOKVORPUYYIX-UHFFFAOYSA-N	404.945	6.054	10	10	HKCE	
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1Cc1ccc(F)cc1	2332104713	KHRXSOPVYVRCCU-UHFFFAOYSA-N	417.189	5.477	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)cc1	2332119395	IUOPGQXMNVNITG-UHFFFAOYSA-N	416.908	5.963	10	10	HKCE	
CCc1ccc(NCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1	3092183	SXNPGRVQWLCHNC-MFOYZWKCSA-N	423.390	5.827	10	10	HKCE	
CC1CCN(S(=O)(=O)c2ccc(/N=N/c3cc(C(C)C)ccc3O)cc2)CC1	6309027	ZNADJENXSFACAY-GHVJWSGMSA-N	401.532	5.352	10	10	HKCE	
COc1ccc2c(c1)S[C@@H](c1ccc(F)c(F)c1)CCN2Cc1cccc(C)n1	12247723	WAVWDWPXAWZSGX-JOCHJYFZSA-N	412.505	5.921	10	10	HKCE	
COc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1O	14460034	YCGYYEVSKMXPHT-YDIMBITNSA-N	418.537	5.099	10	10	HKCE	
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471301	RLDVQZFVKIXUHP-XFQAVAEZSA-N	411.889	5.669	10	10	HKCE	
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2)N1CCCC1	14471339	HLZSALSDZRWUBC-PNLZDCPESA-N	423.900	5.311	10	10	HKCE	
CCOc1ccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1	14543616	ATFWECHJNPROHC-BXTSTYNKSA-N	417.593	7.261	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549191	XAEGNUSYYHQMKQ-AZSVPQILSA-N	405.497	6.606	10	10	HKCE	
CCN1/C(=C2\SC(=S)N(c3cccc(C)c3)C2=O)Sc2ccc(Cl)cc21	16184107	ASSOSSVKWSVLGM-FBMGVBCBSA-N	418.996	5.814	10	10	HKCE	
COc1cc(/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)ccc1O	16192607	IHMITJUYRAFJAK-XGICHPGQSA-N	411.672	5.167	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1	36055732	ZKIRNVKRHXPSDM-XQNSMLJCSA-N	413.496	5.343	10	10	HKCE	
O=C(Nc1ccccc1Cl)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21	59462431	DHHPXZADNWDBKI-XHVUQVIVSA-N	402.925	5.745	10	10	HKCE	
CC1=CN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	103801606	ZEQWMPIFZQSZHA-VROQGOMBSA-N	410.930	5.223	10	10	HKCE	
CCCCCN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21	206165733	TYEUSCWDXOYXNF-VHEBQXMUSA-N	414.596	5.128	10	10	HKCE	
CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC	210189632	UZIKEUJAFYGVJY-DEDYPNTBSA-N	413.564	5.194	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2	226805537	IFIRIUZPSXXDSH-QTEQDKRBSA-N	400.547	6.444	10	10	HKCE	
CC[C@@H](Nc1cc(F)ccc1Br)c1cc(Br)ccc1O	232237933	GCEVEYIFKOFOAV-CYBMUJFWSA-N	403.089	5.620	10	10	HKCE	
CC[C@H](NCC[C@@H](C)N(C)Cc1ccccc1)c1cc(Br)ccc1O	379641870	YPPWRWKHLHZZDG-UZLBHIALSA-N	405.380	5.106	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1CNc1ccc(F)cc1Br	708175803	AAFIGSAKVQNDLM-UHFFFAOYSA-N	409.480	5.322	10	10	HKCE	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1C1CCCCCCC1	1858586563	PWASYUPKPZQPQW-FOWTUZBSSA-N	410.402	5.763	10	10	HKCE	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c1	1860086097	JQDUVFCXOQPKTQ-KGENOOAVSA-N	405.544	6.033	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(C(F)(F)F)cc1	1860087165	DWUCHWWHOUDYNV-RIYZIHGNSA-N	417.836	5.904	10	10	HKCE	
CCCCc1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1	1872956735	QFLAVFFGDMTHHH-UHFFFAOYSA-N	414.505	5.279	10	10	HKCE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ccc(C=CC(=O)O)c(Br)c1	1912117856	HHGUFJLJZYVCEK-OAHLLOKOSA-N	400.316	5.352	10	10	HKCE	
CC[C@@H](C)N(Cc1ccccc1)c1ccc(CNC2CCC2)c(Br)c1	2223520378	GTZKYGVEJXRSLT-QGZVFWFLSA-N	401.392	5.896	10	10	HKCE	
Cc1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl	2297550377	ZCCIKUSNQIEWEY-UHFFFAOYSA-N	411.935	6.314	10	10	HKCE	
CSc1ccc(C=C2SC(=S)N(c3ccccc3OC(C)C)C2=O)cc1	2321692274	XHBLQKUXTKWADV-UHFFFAOYSA-N	401.578	5.602	10	10	HKCE	
CCCC1=NN(CCC)C(=O)C1=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1	2332120804	OPGOKACHIWDROB-UHFFFAOYSA-N	406.526	5.374	10	10	HKCE	
COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2sccc2C)cc1	2332127557	KCWBABDYBHLQSY-UHFFFAOYSA-N	408.910	5.553	10	10	HKCE	
CCCOc1ccccc1C=C1C(=O)N(Cc2ccccc2F)N=C1c1ccccc1	2332133149	IDXGWTQEHSNLKQ-UHFFFAOYSA-N	414.480	5.445	10	10	HKCE	
CCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3)[C@@H](C)CC)ccc21	3586152	NVQLBKXHSHLQQB-FQEVSTJZSA-N	409.643	6.155	10	10	HKCE	
CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1Sc1ccccc1Cl	6563819	KWEHWLTVBHUFQC-GOSISDBHSA-N	411.014	8.081	10	10	HKCE	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	6707071	BFPNPUOQODBWAM-FBLLAGFSSA-N	416.546	5.622	10	10	HKCE	
COc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	13634803	CKNWVHCRDLOQQJ-FCEWJHQRSA-N	403.263	5.126	10	10	HKCE	
Oc1c(Br)cc(Cl)cc1/N=N/c1ccc(Br)c(Cl)c1	13980769	WGJUXPGRACOSGP-ISLYRVAYSA-N	424.907	6.639	10	10	HKCE	
Clc1cccc([C@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1	14460584	QXHANFUCRRMQGG-PPJWLVRDSA-N	407.985	7.516	10	10	HKCE	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@H]2C=CC[C@@H]21	14467329	YPFZNUFODBMBMO-XQJJYNOISA-N	401.120	6.832	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477883	OKCBUJZRRGWHHS-GCKMJXCFSA-N	401.337	5.960	10	10	HKCE	
COc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c(OC)ccc3ccccc13)[C@@H]1CC=C[C@H]21	14544059	XZHFFKOZONRKCX-YGKZAACZSA-N	402.450	5.592	10	10	HKCE	
CC(C)Oc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549430	KLORZZFGWPRBOM-FLFAWLEMSA-N	405.541	7.607	10	10	HKCE	
COc1ccccc1[C@@H]1Nc2ccc(NC(=O)c3cccc(C)c3)cc2[C@H]2C=CC[C@H]21	14553670	IIEOMNPNMYUEON-LZCXECNNSA-N	410.517	6.082	10	10	HKCE	
Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	53362853	KQQKEJJUJBXMPM-GMAHTHKFSA-N	411.332	6.230	10	10	HKCE	
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cccc(OC)c3O)C2)cc1	53362934	VLZXDSMODMSCEQ-XUZZJYLKSA-N	422.912	5.285	10	10	HKCE	
CCCCCN(CCCCC)c1ccc(/C=C/c2ccnc3ccccc23)c(Cl)c1	90441101	AGKMCNIDMVVSHJ-BUHFOSPRSA-N	421.028	8.245	10	10	HKCE	
O=C1c2c(-c3ccccc3)ccc(-c3ccccc3)c2C(=O)C1c1ccc([N+](=O)[O-])cc1	105628305	IRZONNWUAALGHR-UHFFFAOYSA-N	419.436	6.092	10	10	HKCE	
CCCC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	226796737	RPJCXAQVLGWRIQ-JBYIUTFZSA-N	411.343	6.014	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@H](C)c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1	251183517	JCVDBQQSDZWPIZ-DPPFLCKZSA-N	408.545	6.313	10	10	HKCE	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1	1860084178	OIHAUIURSNLUJL-RQZCQDPDSA-N	418.927	5.777	10	10	HKCE	
Cc1ccccc1/C=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1c1ccccc1	1865680439	KXDRUKVEYWPJGD-ZHZULCJRSA-N	421.327	6.132	10	10	HKCE	
COC(=O)c1c(NC(=O)c2cc3ccccc3n2C)sc(C)c1-c1ccc(C)cc1	1866037388	ABMRFGRPBUOFFN-UHFFFAOYSA-N	418.518	5.563	10	10	HKCE	
CCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1	1871255719	POQCIZDOWIVOJV-UHFFFAOYSA-N	419.569	6.039	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2034755402	YSFWTYRIQPCFFE-UHFFFAOYSA-N	401.392	5.898	10	10	HKCE	
CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1Br	2034779515	BFWWZILGWJMDCG-MRXNPFEDSA-N	402.332	5.598	10	10	HKCE	
C[C@@H](N)c1ccc(N2CC[C@]2(C)CCOCc2ccccc2)cc1Br	2077053166	ZTWRHOFKTYZCNE-IIBYNOLFSA-N	403.364	5.045	10	10	HKCE	
Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2Br)cc1C	2080001597	LADXUPJNCPPQOS-QGZVFWFLSA-N	405.336	5.077	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)(C)O)cc1Br	2113623500	NSTSFAXRSYIDDG-SJORKVTESA-N	419.407	5.286	10	10	HKCE	
O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1c1cccc(F)c1	2318756436	LLLHALJAQWJNHN-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1c1cc(Cl)ccc1Cl	2321647089	LZSPJWHUEGGDKN-UHFFFAOYSA-N	417.320	5.369	10	10	HKCE	
CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1	2321683251	QCSRQNYEYKCLNT-UHFFFAOYSA-N	423.346	5.358	10	10	HKCE	
CCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc(Cl)c(O)c(OC)c1	2332139719	KPDOEAUOQJEGCS-UHFFFAOYSA-N	423.271	5.039	10	10	HKCE	
CCN1C(=O)/C(=C\c2cccc(OCCOc3ccccc3Cl)c2)SC1=S	6470626	AXXHVNMBBYDLAP-QGOAFFKASA-N	419.955	5.019	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@H]32)cc1	14461998	WYRPFBXSRVYQLL-XFAFFCHDSA-N	404.598	6.784	10	10	HKCE	
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	14463761	NASZQGNHZHSODS-LQBOVUBWSA-N	423.297	6.271	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@H]2C=CC[C@H]21	14545560	NOHZBSDKXAAIIE-GLDPYIMESA-N	402.538	5.538	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21)N1CCCCC1	20713304	PMWITDKHAIRZLT-YVHKJVDXSA-N	403.482	5.047	10	10	HKCE	
O=C(c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21)N1CCCC1	20750138	KCMKATGDZOBJGM-PGKMIFDNSA-N	413.348	6.056	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3F)N2)c1O	20763946	DQQMJARVLLGBLC-RCZVLFRGSA-N	420.484	5.161	10	10	HKCE	
Oc1c([C@H](Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2)ccc2cccnc12	54621550	LTBQLNDSXRPVMH-HXUWFJFHSA-N	413.279	6.588	10	10	HKCE	
CCCCc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(C)cc2C)cc1	103400394	WALDZRCQEHQTMZ-LGUFXXKBSA-N	422.572	6.789	10	10	HKCE	
C[C@@](CO)(Nc1ccccc1Br)c1ccc(OCc2ccccc2)cc1	311247378	FNUAXPZOCQRCQK-QFIPXVFZSA-N	412.327	5.348	10	10	HKCE	
Cc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526178781	NLXXOQLQEYFBQM-HSZRJFAPSA-N	402.469	5.257	10	10	HKCE	
CCOc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1	526236202	JOTWRLWMVZORBH-QFIPXVFZSA-N	420.534	5.270	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	1860073605	WYFMVIRDNRUIPX-VIZOYTHASA-N	414.766	6.361	10	10	HKCE	
CCNCc1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Br)c1	1946788340	BNJXURPJBBQZPE-UHFFFAOYSA-N	401.270	5.128	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	2034823567	WQSQFKHYUZLFSI-QGZVFWFLSA-N	401.392	5.926	10	10	HKCE	
O=C(O)c1ccccc1C=C1SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	2297357755	WUKCPHYOEOXDGM-UHFFFAOYSA-N	410.303	5.097	10	10	HKCE	
CCCCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c(C)c2ccccc21	2318413555	MEUTXCXQFKKEIC-UHFFFAOYSA-N	415.581	5.221	10	10	HKCE	
O=C1C(=Cc2ccc(O)c(O)c2)C(c2ccccc2)=NN1c1cccc2ccccc12	2332094412	CECWQVXFNXYRPX-UHFFFAOYSA-N	406.441	5.086	10	10	HKCE	
CCCCCOc1ccc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)cc1	2332116753	VVVBWRKXEUSQTK-UHFFFAOYSA-N	411.505	5.485	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1cccc2ccccc12	2332134541	ITCOSIAPQWUURE-UHFFFAOYSA-N	419.440	5.583	10	10	HKCE	
COc1cc([C@@H]2Nc3ccc(OCCC(C)C)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC	13641386	WJZMJLCLFDRZPH-RLSLOFABSA-N	423.553	5.964	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@H]21	14470011	MPPHOJPSOHIDEB-FXSPECFOSA-N	424.544	5.794	10	10	HKCE	
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2)c1ccccc1	14550639	XSDKGJMCKGYONJ-OASJLCFRSA-N	424.544	6.188	10	10	HKCE	
CCOCCOc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	20681085	CBIPDGRRENUFQU-LVCYWYKZSA-N	414.343	5.691	10	10	HKCE	
Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21	20710444	AUNNXHXFOVYIOV-RRQZXNHTSA-N	422.355	7.399	10	10	HKCE	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1	35104398	AOWYHARXDVKCKE-XDJHFCHBSA-N	417.892	5.829	10	10	HKCE	
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2	226633533	NGMCIMBNEOGSOY-ZRCGQRJVSA-N	412.371	6.701	10	10	HKCE	
CC[C@H](N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cc(Br)ccc1O	388784634	QXSORFZQGATJLC-MDKPJZGXSA-N	417.391	5.106	10	10	HKCE	
CC(C)N(C(=O)c1ccc(Cl)cc1F)c1cccc2c1C(=O)c1ccccc1C2=O	1859889631	SIZWXMLRXAUPQF-UHFFFAOYSA-N	421.855	5.310	10	10	HKCE	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccccc1F	1860075500	ZMUSEBURMCVUHC-RIYZIHGNSA-N	412.280	5.133	10	10	HKCE	
O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccccc1C(F)(F)F	1860086382	CVPDYOGIBQOWEY-RIYZIHGNSA-N	417.836	5.904	10	10	HKCE	
O=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl	1865658533	JVBXGOKYLFVZMA-AQTBWJFISA-N	406.844	5.015	10	10	HKCE	
CN1N=C(C(F)(F)F)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O	1865674631	PEEGYLYFGKQJJH-UYRXBGFRSA-N	410.395	5.193	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCc5ccccc5C4)ccc3[nH]2)cc1	1873506557	IRGUNWKCKZRCJQ-UHFFFAOYSA-N	424.548	5.275	10	10	HKCE	
Cc1cc(O)c([C@@H](C)n2ncc(-c3ccccc3)c2I)cc1C	2070259901	OFMOKVDKBDPWBR-CQSZACIVSA-N	418.278	5.086	10	10	HKCE	
Cc1c(Br)cc(F)cc1NCc1cc(Cl)cc(Br)c1O	2287856149	CKWDSDHKOPFWHW-UHFFFAOYSA-N	423.507	5.630	10	10	HKCE	
O=C1C(=Cc2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1	2296761499	UVIWAPPZIBDHHG-UHFFFAOYSA-N	405.331	5.881	10	10	HKCE	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC=Cc2ccccc2)cc1	2297638704	HHDZJKDZTMYHPS-UPRLRBBYSA-N	418.625	5.914	10	10	HKCE	
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc(Cl)cc1	2313681572	IFLZMFZHXBCUFB-UHFFFAOYSA-N	424.957	5.516	10	10	HKCE	
FC(F)(F)c1ccc(N=NN(Cc2ccccc2)Cc2ccccc2)c(Cl)c1	2330186259	XSASOSCBVXUZDS-UHFFFAOYSA-N	403.835	7.060	10	10	HKCE	
CC(C)(C)OC(=O)N1CCCN(N=Nc2ccc(C(F)(F)F)cc2Cl)CC1	2330188837	WXMOKYNLWZJJCJ-UHFFFAOYSA-N	406.836	5.300	10	10	HKCE	
CCCOc1ccc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)cc1OCC	2332113908	XABYPAHTHMIYON-UHFFFAOYSA-N	406.526	5.160	10	10	HKCE	
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	6782032	ARQSNFGBSPBECS-CJFMBICVSA-N	412.577	6.332	10	10	HKCE	
Cc1ccc([C@@H]2Nc3c(OCCCc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1	14456755	LRLYQHWPBGKXIY-RQNQAMLKSA-N	401.575	6.895	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14459108	NKAQBMVZHMVXCT-AXHZCLLHSA-N	418.537	5.290	10	10	HKCE	
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	14477835	VTXCVCIBVFFPOG-YGKZAACZSA-N	415.364	6.805	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14543770	MSUYQDTUYGTWJC-FXSPECFOSA-N	416.565	5.928	10	10	HKCE	
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c[nH]c4ccccc24)N3)CC1	14545107	SYXCZHQYQPVZED-BNIKKZEQSA-N	411.549	5.867	10	10	HKCE	
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	14549059	GQZUNICHPKTZDL-BRWNIOCJSA-N	418.584	7.666	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549306	CVSXHFBKJOFHIU-ZXDNMGRFSA-N	418.540	6.521	10	10	HKCE	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(OCCC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1	14551024	SDOVKRGHZITIAY-FXSPECFOSA-N	418.537	6.771	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2	14552413	GIMFIBXTPBAHBX-QQNWGBJXSA-N	422.572	7.197	10	10	HKCE	
COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC(C)C	16115980	GIWMFTKMNFFWKI-MFOYZWKCSA-N	419.308	5.595	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21	19888549	PDVXXLUOGCQMHN-FHAGJXEFSA-N	416.351	8.126	10	10	HKCE	
CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1	21934294	QQEVHQLXQCYDEI-UHFFFAOYSA-N	410.521	5.073	10	10	HKCE	
Cc1cc(Br)c(NCc2cccc(Cl)c2O)c(Br)c1	158685218	NRIVQETXDIXQKS-UHFFFAOYSA-N	405.517	5.491	10	10	HKCE	
CCOC(=O)c1sc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C#N)c1C	206261694	NVIKRLBFYUSSBE-RGEXLXHISA-N	416.502	5.284	10	10	HKCE	
CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2	226704267	ICGOVVJSQCOORU-TZBSWOFLSA-N	403.570	5.499	10	10	HKCE	
Cc1cc2c(n1-c1c(Br)cc(Cl)cc1Br)CCC[C@H]2N	379678590	RIDCDGYLGYYTJX-CYBMUJFWSA-N	418.560	5.300	10	10	HKCE	
CC[C@H](C)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	1084212155	STWMZNPSLDJAPB-INIZCTEOSA-N	401.532	5.496	10	10	HKCE	
COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@@H](C)c3ccccc3)C1=O)cn2C	1858589308	VVVRAYOWEWDSFW-HXJASHHUSA-N	408.548	5.149	10	10	HKCE	
CC(C)(C)OC(=O)N1CCC(N=NNc2ccc(OCc3ccccc3)cc2)CC1	1860492788	KHPALNBESOWVLH-UHFFFAOYSA-N	410.518	5.444	10	10	HKCE	
O=C1/C(=C\c2cccs2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1	1865670588	HTZHLNIJPSMCLD-XFFZJAGNSA-N	405.228	5.399	10	10	HKCE	
CC(C)CSc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	1865733787	ZXBAROAJLYZIOM-UHFFFAOYSA-N	415.514	5.462	10	10	HKCE	
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CCCCC2)cc1	1866007992	BIVMIQNGNJILDF-OAQYLSRUSA-N	420.384	5.016	10	10	HKCE	
CC(C)n1ccc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21	1874178965	DQTKFVJRUWABRW-UHFFFAOYSA-N	408.457	5.250	10	10	HKCE	
CN(Cc1nc2ccccc2s1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1	2040480042	GMYTVAOJQORCLP-UHFFFAOYSA-N	405.567	5.349	10	10	HKCE	
CC(C)(C)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1Cl	2078981147	KWHKXEWNPJEQSG-UHFFFAOYSA-N	400.750	5.626	10	10	HKCE	
C[C@H](Nc1ccc(Cl)c(I)c1Cl)c1c(O)cccc1O	2150346474	CUHJGYSDPVVLJE-ZETCQYMHSA-N	424.065	5.182	10	10	HKCE	
CC[C@@H]1CCCCN1C=C1SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	2313609434	HYTMTDDTCQRRMA-CYBMUJFWSA-N	400.491	5.176	10	10	HKCE	
CCCOc1ccc(C=C2SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc1OC	2321745685	IPFHGOFSQVDJQO-UHFFFAOYSA-N	421.490	5.168	10	10	HKCE	
CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1ccc(OC)c(OC)c1	2332140277	ROZPCKYZVZOIBO-UHFFFAOYSA-N	416.880	5.078	10	10	HKCE	
CCOc1ccc(N2C(=O)S/C(=C\c3c[nH]nc3-c3ccccc3)C2=S)cc1	8324186	ORPUSYNILBHCBM-PDGQHHTCSA-N	407.520	5.517	10	10	HKCE	
O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Br)o1	10910087	POPSUOVUDZWZRD-OAQYLSRUSA-N	422.278	5.420	10	10	HKCE	
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14465638	TVCQYMDHVLHWTM-HFMPRLQTSA-N	408.973	6.429	10	10	HKCE	
COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	14469742	YVJGGHQBXZAUFF-PLXFJCCSSA-N	411.501	5.879	10	10	HKCE	
CCNC(=O)c1cccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@H]21	14476619	FATIZGHRFXPTBC-ISJBWFOZSA-N	424.544	5.842	10	10	HKCE	
CCOc1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14480725	JJPCVRKMLPGXJB-FXSPECFOSA-N	424.544	5.842	10	10	HKCE	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21	14546906	BHWOZERBODOCAE-ZDPRRSKRSA-N	416.348	6.378	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	14549779	KUVKBCDMDUBNNR-SGIRGMQISA-N	412.508	5.924	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	20698480	RQLFDVQFDLWXAI-SKVJQKLOSA-N	422.572	6.913	10	10	HKCE	
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@@H]21)c1ccccc1	20707608	ZRERZUZPDLUZLP-RNHFSVANSA-N	410.517	5.885	10	10	HKCE	
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2	20707758	YCAQREFMVHDENP-GNMOFYLKSA-N	410.517	5.790	10	10	HKCE	
COc1ccccc1/C=C\C(=C1/C(=O)N(c2ccccc2)N=C1C)c1ccc(C)cc1	33623280	IVZDVNROUSBGJQ-KYXPJFBRSA-N	408.501	5.893	10	10	HKCE	
O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(N2CCCC2)cc1	1860086153	NCSPRGVKCUMCMY-DEDYPNTBSA-N	405.548	5.174	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC)c1O	1865658685	PURVECIRAUNXBF-GXDHUFHOSA-N	405.281	5.294	10	10	HKCE	
CC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1	1865659083	ZWCMXAKHDGCRGV-WOJGMQOQSA-N	401.337	6.093	10	10	HKCE	
CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(Cl)cc1Cl	1865665731	IUMDRSIOCSXWIO-YBFXNURJSA-N	401.337	6.192	10	10	HKCE	
O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1cccc2ccccc12	1865666470	MFVGXNQZLPHEJN-JWGURIENSA-N	424.887	6.033	10	10	HKCE	
Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C=O)c2Br)cc1C	2080055352	DLPRGQHMNVAICI-MRXNPFEDSA-N	413.262	5.108	10	10	HKCE	
CCCN[C@@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C(C)C)cc1Br	2095950698	DQIKNOYWISCLPU-OALUTQOASA-N	417.435	6.561	10	10	HKCE	
O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccccc1Br	2321613586	UBXBBBMADALIEY-UHFFFAOYSA-N	412.280	5.133	10	10	HKCE	
CN(C)c1ccc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1	2321697717	OHOZHAIOTUUNJH-UHFFFAOYSA-N	408.470	5.177	10	10	HKCE	
CC(C)(C)c1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc1	2332099983	ZBPXTIGWPMVKSN-UHFFFAOYSA-N	404.407	5.467	10	10	HKCE	
O=C(O)c1ccc([C@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	12469743	OYQYAHPUBRQEQE-SGIRGMQISA-N	413.542	6.504	10	10	HKCE	
COc1cccc([C@H]2Nc3c(C(=O)NC4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1O	14459756	ZKZIDJDQPNWSLI-IXFSTUDKSA-N	418.537	5.290	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2	14461503	BKGJQTGSZSDCIN-HWBMXIPRSA-N	404.554	5.926	10	10	HKCE	
CC[C@@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc(OC)c(OC)c1)[C@H]1CC=C[C@H]21	14479628	BXOAHSOVSPWXLQ-LCRZVWJLSA-N	406.526	5.059	10	10	HKCE	
Clc1ccc(Cl)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21	14549257	PDVXXLUOGCQMHN-WZOHSFFVSA-N	416.351	8.126	10	10	HKCE	
CN(C)c1ccc(/C=C2/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2O)cc1	35718170	AFLVJSJCGOFTTI-XQGJWEKFSA-N	407.642	6.540	10	10	HKCE	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Nc1nc2ccccc2s1	98002373	UBZLLQMZXAXDTF-NTEUORMPSA-N	403.941	5.178	10	10	HKCE	
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226692737	VXEPVSTWGXOTFG-TYILLQQXSA-N	403.309	5.227	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2	226748481	SPLQGUPINNYVCE-XFQAVAEZSA-N	420.336	5.941	10	10	HKCE	
Cc1ccccc1C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2	226807764	OYMPAJUXQZXRTP-RNHFSVANSA-N	412.489	5.485	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccccc1Cl	1858591734	XMKHAXQPNALYMB-OVCLIPMQSA-N	414.766	6.048	10	10	HKCE	
CCCCCOc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)cc1OC	1865669434	NPIGUNGVXFPXSF-RCCKNPSSSA-N	424.516	5.595	10	10	HKCE	
Cc1ccsc1/C=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C1C(F)(F)F	1865670810	SJJFEEZQJIWOBC-XFFZJAGNSA-N	419.255	5.707	10	10	HKCE	
CCN(CC)c1ccc(-c2nc3cc(C(=O)NC4CCCCCCC4)ccc3[nH]2)cc1	1872735773	KXYHGHRPODDJBC-UHFFFAOYSA-N	418.585	5.919	10	10	HKCE	
CCCNCc1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Br	1915073629	IACWCHHMPCHGNK-UHFFFAOYSA-N	413.359	5.749	10	10	HKCE	
C[C@@H](N)c1ccc(N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1Br	1915513790	XUGLTCLFLMUDIC-CRAIPNDOSA-N	403.364	5.043	10	10	HKCE	
CCCCCOc1ccc(C=C2SC(N3CCCCCC3)=NC2=O)cc1OC	2040512436	IMTMLMGHSQUKNJ-UHFFFAOYSA-N	402.560	5.111	10	10	HKCE	
Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2Br)C2(C)CC2)c(O)c1	2079031226	HVJKRTZHEUBAQP-MRXNPFEDSA-N	421.335	5.045	10	10	HKCE	
COCCNCc1ccc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	2095888358	FSPUZJFQTKCKLP-UHFFFAOYSA-N	417.391	5.134	10	10	HKCE	
Fc1cccc(Cl)c1COc1ccc(C2CCCCC2)cc1/N=N/c1ccccc1	2295356282	YZAPAGWXCLLDCZ-ZQHSETAFSA-N	422.931	8.521	10	10	HKCE	
Cc1ccc(OCCn2cc(C=C3C(=O)N(C)c4ccccc43)c3ccccc32)cc1C	2297319022	TXNMLKHROGKBMH-UHFFFAOYSA-N	422.528	5.854	10	10	HKCE	
O=C1SC(=Cc2ccc(N3CCCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl	2297560933	AAMJDNZODVYEQH-UHFFFAOYSA-N	416.905	5.316	10	10	HKCE	
CCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C)CC2)SC1=S	2314648293	UBGQXEGZMFKARG-UHFFFAOYSA-N	411.596	5.001	10	10	HKCE	
O=C1C(=Cc2cccc(Cl)c2)SC(=S)N1c1ccc(Br)cc1	2314754967	KWZUUEKTMRIWOV-UHFFFAOYSA-N	410.745	5.508	10	10	HKCE	
Cc1cc(Cl)ccc1N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S	2321570013	RZJMMJFQTJSTHX-UHFFFAOYSA-N	401.984	6.352	10	10	HKCE	
CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1	2321585737	XWEGDBNGDBWRJQ-UHFFFAOYSA-N	410.564	5.141	10	10	HKCE	
O=C1C(=Cc2cccc3ccccc23)SC(=S)N1C12CC3CC(CC(C3)C1)C2	2323854260	BFQISIYQHBNWJN-UHFFFAOYSA-N	405.588	6.010	10	10	HKCE	
CCCOc1cccc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2CCC)c1	2332119239	REAKQZNPNPCWKI-UHFFFAOYSA-N	417.336	6.369	10	10	HKCE	
COc1cc([C@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)ccc1O	14458954	IZUIAUYTMUFVJT-AXHZCLLHSA-N	412.489	5.480	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NCc4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1	14462984	GYOJUPZGYMHABF-DPZBCOQUSA-N	422.572	6.567	10	10	HKCE	
Clc1cccc([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1Cl	14477150	RLWOLQQOEWQZQB-OSWQYVSFSA-N	422.355	7.399	10	10	HKCE	
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c(OC)c1)N2	14479696	YMMJJUCSHZLBFB-RSOWOLOUSA-N	406.526	5.059	10	10	HKCE	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2	14548403	QTASUACKHBFVMU-NPPFBWRTSA-N	408.548	5.375	10	10	HKCE	
Cc1ccc(NC(=O)c2cccc3c2N[C@H](c2sccc2C)[C@H]2CC=C[C@@H]32)cc1C	20688208	BORYFLQPYDCABQ-PTLVVNQVSA-N	414.574	6.752	10	10	HKCE	
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1Cl	39372909	QJIXMIRHUHUUSH-VSZNYVQBSA-N	402.925	5.745	10	10	HKCE	
O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1ccccc1Cl	59397062	ZFMOTKCOSUQABT-XFFZJAGNSA-N	416.774	5.570	10	10	HKCE	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1	206213309	UMTOVWDUIKAPGE-PXLXIMEGSA-N	417.555	5.980	10	10	HKCE	
c1ccc(N=NN(CN(N=Nc2ccccc2)c2ccccc2)c2ccccc2)cc1	254762795	BYFZJRCXRILWRR-UHFFFAOYSA-N	406.493	7.355	10	10	HKCE	
CC(C)c1ccc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc1	1865664718	WAWCIZWARVGBCA-WQRHYEAKSA-N	406.835	5.808	10	10	HKCE	
CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2CC)ccc1OCc1ccc(C)cc1	1865667449	XMFGDCLLMCYAIS-HYARGMPZSA-N	420.553	5.620	10	10	HKCE	
C[C@H](O)c1ccc(N(Cc2ccccc2)[C@H](C)c2cccs2)c(Br)c1	1914857399	NEUCQXQXXFKWAQ-CVEARBPZSA-N	416.384	6.332	10	10	HKCE	
CC(C)(C)N(Cc1ccccc1)c1ccc(CNC2CCC2)cc1Br	2223540235	WHNWAHYVJXKPNN-UHFFFAOYSA-N	401.392	5.896	10	10	HKCE	
CN[C@@H](CCCCCNC(=O)OCc1ccccc1)c1ccc(N2CCCC2)cc1	2236172193	UDISTCXAKFKWJS-DEOSSOPVSA-N	409.574	5.034	10	10	HKCE	
Cc1ccc(NCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1Cl	2297212676	DEIJZVWFYRMEHC-UHFFFAOYSA-N	400.956	5.475	10	10	HKCE	
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cc(OC)c(Cl)cc1OC	2313682100	VFGWNMKSJFMDSD-UHFFFAOYSA-N	413.905	5.246	10	10	HKCE	
Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1	2321591360	OHFMJKKCRSCOLR-UHFFFAOYSA-N	404.900	5.271	10	10	HKCE	
O=C1C(=Cc2ccccc2Cl)SC(=S)N1c1ccc(Cc2ccncc2)cc1	2321709001	MAAGISUFIXSRKA-UHFFFAOYSA-N	422.962	5.732	10	10	HKCE	
CCN(CC)CCCCN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S	2323831906	QURDYRZEUZMJCH-UHFFFAOYSA-N	416.534	5.029	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(C(C)(C)C)cc1	2332099597	KHIFZUNSPYSWQI-UHFFFAOYSA-N	415.364	6.877	10	10	HKCE	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1cccc(Cl)c1	2332134599	NQVINHQVONBWMV-UHFFFAOYSA-N	403.825	5.083	10	10	HKCE	
CN(Cc1ccccc1)C(=O)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21	13637467	HCRZMJVSKRJNSX-HWBMXIPRSA-N	410.517	5.491	10	10	HKCE	
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2	14461144	PWHSJBPBOSXYPK-WHSLLNHNSA-N	416.315	5.006	10	10	HKCE	
Cc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[C@H]2C=CC[C@H]21	14478666	QIZZVVIVANRXPZ-SGIRGMQISA-N	422.594	5.242	10	10	HKCE	
Cc1cccc([C@@H]2Nc3c(C(=O)N[C@@H](C)c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1	14480094	JCVDBQQSDZWPIZ-AHMOOEFLSA-N	408.545	6.313	10	10	HKCE	
CCOc1ccccc1[C@H]1Nc2c(C(=O)Nc3ccccc3)cccc2[C@H]2C=CC[C@@H]21	14545328	XZCUDOSWRGYLPL-RLSLOFABSA-N	410.517	6.164	10	10	HKCE	
COc1ccccc1[C@H]1Nc2ccc(OCCCc3ccccc3)cc2[C@H]2C=CC[C@H]21	14546296	XYNJSCYMGBJMAG-JWZKTCGFSA-N	411.545	6.533	10	10	HKCE	
CSc1ccc([C@H]2Nc3ccc(NC(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14552345	ZENQIEWEZKCXKS-SGIRGMQISA-N	412.558	6.487	10	10	HKCE	
CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1	20764648	QYYUDNNKBVTBBK-UPVQGACJSA-N	424.903	5.806	10	10	HKCE	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C(C)C)cc1	101650849	OKAIYTIXOVZLQY-PXLXIMEGSA-N	405.494	5.086	10	10	HKCE	
Cc1ccsc1[C@@H]1Nc2c(C(=O)NCCc3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	226665023	SSSKBMYDFSIUKY-ZCVJKFOLSA-N	414.574	5.856	10	10	HKCE	
CCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Br	385435131	MVHINVGGOADESD-SJORKVTESA-N	401.392	5.925	10	10	HKCE	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccccc1Nc1ccccc1	1084610854	COACCSRBNVFIOU-XSFVSMFZSA-N	406.507	5.975	10	10	HKCE	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccc(Cl)cc1	1858590902	NLXNVWPQXCVRBC-OQLLNIDSSA-N	424.772	5.504	10	10	HKCE	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1cc(Cl)cc(Cl)c1	1860075399	SZIJTFQXLJUJGU-OMCISZLKSA-N	424.330	5.170	10	10	HKCE	
COc1ccc(C)cc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S	1860087005	VJHHROIMNSFGJM-MHWRWJLKSA-N	420.353	5.172	10	10	HKCE	
COC(=O)c1c(NC(=O)C(F)(F)c2ccccc2)sc(C)c1-c1ccccc1	1866155698	XXGKEATZSOUYMB-UHFFFAOYSA-N	401.434	5.241	10	10	HKCE	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(Cl)c(Cl)c1Cl	1891583210	KIQJLAIOXJMWMS-UHFFFAOYSA-N	409.703	5.164	10	10	HKCE	
CC(C)NCc1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Br	1915073721	JDBGMXHDUUBZCC-UHFFFAOYSA-N	413.359	5.747	10	10	HKCE	
CCCN[C@@H](c1ccccc1O)c1csc(Br)c1Br	2093977420	PRWSGACCQGKTFA-ZDUSSCGKSA-N	405.155	5.068	10	10	HKCE	
CC(C)C1=NN2C(=N)C(=Cc3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1	2296394081	QLCQBCXYUBJIQD-OAHLLOKOSA-N	418.522	5.102	10	10	HKCE	
CCN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21	2297559545	JVMXGJWEJYVFKR-UHFFFAOYSA-N	408.501	5.627	10	10	HKCE	
Cc1cccc(C)c1NCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S	2313503210	AWFFLLUUKMKJNL-UHFFFAOYSA-N	423.390	5.881	10	10	HKCE	
CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cc(Cl)ccc1Oc1ccccc1	2313682283	ZDPZVESEGUGGLB-UHFFFAOYSA-N	417.896	6.241	10	10	HKCE	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=Cc2ccccc2Br)SC1=S	2323680630	KRPRURLQOVMUFW-UKTARXLSSA-N	422.413	5.475	10	10	HKCE	
COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccccc2F)cc1	2332096538	SUWVZUYNOSUBRB-UHFFFAOYSA-N	420.871	5.318	10	10	HKCE	
Cc1ccc(CN[C@@H](C)c2cc(Br)cs2)c(O)c1Br	2352675405	GFKKAZCZGZOYGZ-VIFPVBQESA-N	405.155	5.138	10	10	HKCE	
O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1CCC1CCCC1	2817165	ZVYQYVMMOGDOPA-CJLVFECKSA-N	423.603	6.047	10	10	HKCE	
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2	14457898	YXXNFSZDPWHJLW-YOSAUDMPSA-N	410.583	5.127	10	10	HKCE	
CC(C)c1ccc([C@H]2Nc3ccc(OCCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	14463277	BDWIUPAFSPORMH-PVTPYKNESA-N	423.600	7.648	10	10	HKCE	
CCOCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2	14471164	HNPYTMDTJWBPBF-YVHKJVDXSA-N	414.889	5.490	10	10	HKCE	
CCCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2	14472718	ZKCUFOFOISQHHO-CKJXQJPGSA-N	412.873	5.642	10	10	HKCE	
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(OCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	14476053	QQGNENLESUQDIZ-WZOHSFFVSA-N	414.461	5.706	10	10	HKCE	
CN(C(=O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1	14549791	XDZPCMUZVWSPLO-YZUZCNPQSA-N	404.529	6.057	10	10	HKCE	
CCOc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CC[C@H](C)C3)cc1	37867049	CVCOGEQBJJKUQW-INIZCTEOSA-N	421.566	5.531	10	10	HKCE	
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(F)cc3)N2)c1O	53363378	OMVQSYOWILAEKX-RDGATRHJSA-N	420.484	5.161	10	10	HKCE	
CCCN[C@H](C)c1ccc(N(Cc2ccccc2)[C@@H](C)CC)cc1Br	387289641	WTQXETMKNZUHMC-ZWKOTPCHSA-N	403.408	6.315	10	10	HKCE	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1Cc1cccc(C(F)(F)F)c1	1858591654	KQFLZZSHDRGPGK-OQLLNIDSSA-N	413.873	5.760	10	10	HKCE	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	1860075472	WYFSNIAYIPVNIE-CAOOACKPSA-N	422.402	6.697	10	10	HKCE	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2ccc(Cl)cc2)cc1	1865656911	XMVATEZJNYNCBL-PXLXIMEGSA-N	418.880	5.192	10	10	HKCE	
CCN(Cc1ccccc1)c1ccc(C=C2N=C(c3ccc(F)cc3)OC2=O)cc1	2042445291	GESKKNIUPPEKKL-UHFFFAOYSA-N	400.453	5.197	10	10	HKCE	
CCOC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1Cl	2080051657	BSPMJUUVGZJIGV-QGZVFWFLSA-N	412.864	5.363	10	10	HKCE	
CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O	2293722793	ATOONNOTHFIUQN-UHFFFAOYSA-N	405.928	5.159	10	10	HKCE	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1	2294235481	WWIKVZNJGGYUPK-UHFFFAOYSA-N	402.837	5.720	10	10	HKCE	
CCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c(C)c2cc(Cl)ccc21	2318413401	AXJNAGMMCCONKO-UHFFFAOYSA-N	421.972	5.094	10	10	HKCE	
COc1ccccc1C=C1SC(=S)N(c2ccc(C)c(Br)c2)C1=O	2321702497	JMIWZWBUJXVMHI-UHFFFAOYSA-N	420.353	5.172	10	10	HKCE	
Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	2332103929	HYHHJDNNMYCFDF-UHFFFAOYSA-N	421.327	6.132	10	10	HKCE	
CCC(=O)Nc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)c1	5307397	HABCOPSXAJSOCJ-RUZDIDTESA-N	412.537	5.457	10	10	HKCE	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@H]21	14476420	XWZBUDMFAPGAEH-UNVFRBQDSA-N	401.937	7.054	10	10	HKCE	
CNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21	14549393	RYEBGPRMZVCNAI-ZYVVXELTSA-N	404.513	6.179	10	10	HKCE	
COc1ccc(OC)c2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710486	DYPWOUKXZMWTRH-GOHWNWGWSA-N	413.517	6.109	10	10	HKCE	
CN(C)C(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	20710763	VPSAIRMFWCEZLE-SWYRRKHMSA-N	424.544	5.794	10	10	HKCE	
O=C1NC(=S)S/C1=C/c1cc(/N=N\c2ccc(Cl)cc2Cl)ccc1O	59514439	VAMGLYDFOCNIPE-YOITWZRASA-N	410.307	5.603	10	10	HKCE	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)s1	226667101	ICZVIBBCXFCREY-KGVIQGDOSA-N	414.596	5.058	10	10	HKCE	
CC(C)c1ccc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)cc1	226707327	MNRKWRVOAFZVJO-MTQWNXOMSA-N	416.565	5.545	10	10	HKCE	
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2	226714526	JVRVYKTUGMOZOW-JLRUASKGSA-N	418.562	5.353	10	10	HKCE	
CCOc1ccccc1[C@@H]1Nc2c(C(=O)N3CCCCC3)cccc2[C@@H]2C=CC[C@@H]21	226873131	NOHZBSDKXAAIIE-YDIMBITNSA-N	402.538	5.538	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(OC)ccc1OC	1865668482	ZZRFGWIWLWOBQX-LFIBNONCSA-N	419.308	5.202	10	10	HKCE	
CCCC1=NN(CC(C)C)C(=O)/C1=C/c1ccc(N(CC)Cc2ccccc2)cc1	1865675268	XHNODZGPMIRNHT-JJIBRWJFSA-N	403.570	5.751	10	10	HKCE	
CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	1865676804	LHCLGQCRYDBZJO-OQLLNIDSSA-N	404.253	5.093	10	10	HKCE	
Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3ccc(Cl)cc3)cc2)cc1	1866142396	QXCQIVGUZZNGEC-QFIPXVFZSA-N	407.901	5.322	10	10	HKCE	
CCCCOC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C	1874156803	UPVARYOFAPEPIB-UHFFFAOYSA-N	404.510	5.612	10	10	HKCE	
CC(C)(O)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1Br	1915410324	ONWQWUPKIQWBJK-UHFFFAOYSA-N	419.407	5.115	10	10	HKCE	
CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1Cl	2079002103	BXVNUSHKHUISLK-HXUWFJFHSA-N	402.922	5.384	10	10	HKCE	
CC[C@@H](C)NCc1ccc(N(Cc2ccccc2)[C@@H](C)C2CC2)c(Br)c1	2231463394	OMTXOYXRJOMPPY-MSOLQXFVSA-N	415.419	6.142	10	10	HKCE	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1Cl	2313510672	CMIHQYYHJPOBKB-UHFFFAOYSA-N	422.695	5.524	10	10	HKCE	
COc1ccc2c(c1)c(C=C1SC(=S)N(CCC3=CCCCC3)C1=O)cn2C	2323839812	BYXBAIKQHQGECU-UHFFFAOYSA-N	412.580	5.279	10	10	HKCE	
CCCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC)c1O	2332098026	PURVECIRAUNXBF-UHFFFAOYSA-N	405.281	5.294	10	10	HKCE