smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)CC1 3635790 SBCGJTXEVVVOTC-HZHRSRAPSA-N 497.580 4.453 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)OC 33337824 FSXZSXWNFIMDNY-MOSHPQCFSA-N 472.588 4.109 10 10 JICE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 33528812 GJYGPJUZJRZYOZ-ZJOTXLRRSA-N 484.647 4.065 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccco3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 33919430 HTWCFXUOKWFDHT-JVWYAVPJSA-N 477.889 4.215 10 10 JICE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 96460160 AQPJRGZPOSYNNG-JGJJTGRPSA-N 496.401 4.022 10 10 JICE C[C@H]1CN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)C[C@@H](C)O1 211944112 BRCSDABMFILGHF-HNNMJWTQSA-N 452.601 4.184 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(-c4ccccc4Cl)s3)cc2)CC1 1632944993 JKUCGCNWSSDCFH-UHFFFAOYSA-N 454.983 4.062 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)ccc4C)n4ccccc34)CC2)cc1 1858225501 ZXJDMARFUQLRCL-UHFFFAOYSA-N 483.572 4.174 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccc(Cl)cc4)c(O)n3)CC2)cc1 1858518892 BNUDGECCDSXQOV-UHFFFAOYSA-N 499.036 4.184 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(F)cc1 1860652037 SMHMFQLTJNGDBT-HKUYNNGSSA-N 488.581 4.395 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(Cl)ccc3OC)c3ccccc3)CC2)cc1 1862138067 DSOIKUJZAORHBY-RUZDIDTESA-N 493.991 4.177 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873549799 ZIFWOSDCVLDTBL-SFTDATJTSA-N 490.652 4.295 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccncc5)ncnc4n3CC(C)C)CC2)cc1 1875209968 GWOTVQVHUHGDMJ-UHFFFAOYSA-N 499.619 4.065 10 10 JICE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 2296004715 DLXDDVYCXVOUMR-UHFFFAOYSA-N 493.404 4.403 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1ccc(Br)cc1 2296020964 WEWIQOGLNJXUGA-UHFFFAOYSA-N 498.308 4.135 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2296712273 RHMZWNLFLBFMTA-UHFFFAOYSA-N 465.600 4.270 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(N(C)C)c([N+](=O)[O-])c1 2297311176 KMTNZQVQXLDSLR-UHFFFAOYSA-N 476.274 4.072 10 10 JICE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C1CCCCC1 2297509026 LXIZLOWKTQEQSK-UHFFFAOYSA-N 483.634 4.148 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)cc1Cl 2313630132 MTRRBVALOZCZFM-GOSISDBHSA-N 457.983 4.077 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(Cl)cc1OC 2313683140 SJFIGCKVZOYZQX-UHFFFAOYSA-N 473.913 4.018 10 10 JICE CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 33332514 KAKOHTYZMYILPS-UDWIEESQSA-N 457.573 4.347 10 10 JICE CCOc1ccccc1NCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 59382284 TXNKZRNQJKDVAG-XDHOZWIPSA-N 460.577 4.382 10 10 JICE CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 109179554 DXPBNCBIKIQVHZ-BSRJHKFKSA-N 458.002 4.199 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 213189519 KQCVRMPIXJNMOF-AQTBWJFISA-N 485.562 4.172 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCCO)CC1 1359351109 YYFKKXRTOGQQMS-UHFFFAOYSA-N 492.668 4.352 10 10 JICE CC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255359 WHSZQRNOBBBESU-AREMUKBSSA-N 473.573 4.345 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029746 ULYHWTBZJIJFEH-NRFANRHFSA-N 496.995 4.452 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Cl)c4)n(C(C)(C)C)n3)CC2)cc1 1869970542 NOXRCJUWHCVUSE-UHFFFAOYSA-N 468.989 4.274 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CC(C)C)C2=O)cc1 1873167490 JWRIRUBGXVAMMI-UHFFFAOYSA-N 462.638 4.296 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 2297312794 ZCHBHOFJQHOMNB-UHFFFAOYSA-N 451.482 4.387 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314413617 CGDSTDBLYFPFKE-UHFFFAOYSA-N 454.577 4.291 10 10 JICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)SC1=S 2326944717 DCHKTFOKXAVFCU-UHFFFAOYSA-N 474.563 4.433 10 10 JICE CCC[C@@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330125156 HZPRPAXQLDWEEU-XMMPIXPASA-N 470.013 4.386 10 10 JICE CCOc1ccc(C=CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2330595171 HYGDXDBETQUCIL-GDLZYMKVSA-N 499.611 4.313 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1 20235842 PWWDFURKUYRSMC-QDTGPSGXSA-N 498.333 4.366 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCc2ccc3c(c2)OCO3)cc1 20288655 MFKXOOVGZCCUHB-LFVJCYFKSA-N 486.484 4.147 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c([N+](=O)[O-])cc1OC 33410546 HTWKYIHNCAYVPW-MLPAPPSSSA-N 492.307 4.046 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(Cl)ccc3C)c3ccco3)CC2)cc1 38619297 HMFNQLGNALWCFE-QFIPXVFZSA-N 490.025 4.092 10 10 JICE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40067011 QQTLGNMFDBYNBG-ODLFYWEKSA-N 470.595 4.411 10 10 JICE CCOc1cc(/C=C2/C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)ccc1O 89269863 JQWYWWIEBWTSLN-OMLAYDHKSA-N 468.560 4.180 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCSCC3)cc1)O[C@H](C)C2 730528267 FFQSXZOKXZJIPY-FHZYATBESA-N 452.620 4.382 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cnn(Cc2ccccc2)c1 918579538 AKAWPCNTKLCSRR-NDENLUEZSA-N 482.656 4.291 10 10 JICE CCCCS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1Br 1542993155 CPNICRGANAWEOJ-UHFFFAOYSA-N 465.989 4.222 10 10 JICE CCCCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858844114 CJBXJSZWFYQMTM-UHFFFAOYSA-N 473.485 4.223 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3C)c(C)s1 1859574987 YMUKOVROGMEDOF-UHFFFAOYSA-N 457.577 4.064 10 10 JICE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)n12 1860085524 PPSYEZXJWYUYRA-LFYBBSHMSA-N 451.938 4.167 10 10 JICE CCC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861967935 JVVYYPBPWVOWBK-HXUWFJFHSA-N 494.419 4.258 10 10 JICE CCCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862064376 IOMNUJSSXRMBQE-MHZLTWQESA-N 487.600 4.304 10 10 JICE CCC[C@H](NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102954 GIWYGMPDVRUNEB-QHCPKHFHSA-N 491.636 4.116 10 10 JICE CCC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235202 LXKUNZPYJGRELR-XDHUDOTRSA-N 494.547 4.446 10 10 JICE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079012954 BWUPLGITMGSIMU-INIZCTEOSA-N 467.351 4.288 10 10 JICE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080048353 RCLJFQKKLGKPEI-MRXNPFEDSA-N 484.334 4.285 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1 2293850324 URJCHJDLLQVABI-UHFFFAOYSA-N 450.335 4.166 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc2c(cc1Cl)OCO2 2294244414 GLWLCBQMYPMONM-UHFFFAOYSA-N 455.706 4.207 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296732189 GIAUKMWEONTFID-UHFFFAOYSA-N 494.642 4.481 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2297451164 JAAXXJAUZUVEJB-UHFFFAOYSA-N 456.545 4.014 10 10 JICE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2313617607 CEQIODHANPWQAA-UHFFFAOYSA-N 458.948 4.026 10 10 JICE O=C(O)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2314929982 VTVYQEPRFJBHJU-UHFFFAOYSA-N 453.328 4.238 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2962217 WWNIKMJXCSIJCI-WQRHYEAKSA-N 458.517 4.434 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1Cl 11857791 ZJCYBIXFQOAJBK-LLVKDONJSA-N 479.967 4.017 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 33438281 PAIAQMWMUDDICG-OBGWFSINSA-N 456.637 4.385 10 10 JICE Cc1cc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(C)n1-c1ccccc1F 108238538 PGVDQQSLPWASSE-UHFFFAOYSA-N 458.537 4.242 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1C 1084646398 CIDGINLYYIIUTQ-LPYMAVHISA-N 458.474 4.286 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1524066455 HBUAUBOYOXADJW-AUSIDOKSSA-N 455.505 4.337 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCC3)C[C@H]1CCCN2CCCC[C@H]12 1565519801 HQLHZKMUJHOTSC-UZUQRXQVSA-N 475.029 4.354 10 10 JICE Brc1cccc(OCCSCCNCc2ccc(N3CCOCC3)cc2)c1 1620799064 JQOGZAIWGXKSQG-UHFFFAOYSA-N 451.430 4.188 10 10 JICE Cc1cc(=O)c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Cl)cc1 1859616406 GIKNIKTUEQVELB-UHFFFAOYSA-N 469.884 4.222 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccs3)CC2)cc1 1862035884 QYDLKJQHDLAAJB-QHCPKHFHSA-N 495.670 4.137 10 10 JICE CCCC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862184842 CKCIVGNLJLTXDV-XMMPIXPASA-N 488.028 4.060 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008855 UBAPDOGGEWZOHD-OAQYLSRUSA-N 482.968 4.102 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868844929 QAYRMLJQNYFLDX-DQEYMECFSA-N 469.601 4.064 10 10 JICE COCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870438610 YMXFVMHNQUZZMY-UHFFFAOYSA-N 498.023 4.058 10 10 JICE COc1cc(C(C)(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952723422 IMWTZNCWQDTMNN-DEOSSOPVSA-N 477.513 4.376 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 2297296499 JHUDEJXREKGWPI-UHFFFAOYSA-N 453.838 4.287 10 10 JICE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 2313553122 IEXJNYFICQCJOH-UHFFFAOYSA-N 459.458 4.122 10 10 JICE COc1cc(C=CC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(Br)c1OC 2325387853 JXHALLSQOJIDDQ-QFIPXVFZSA-N 499.409 4.185 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(C)cc3)c3ccc4c(c3)OCO4)CC2)cc1 8601200 VNJDOFJAKZOUJL-RUZDIDTESA-N 473.573 4.026 10 10 JICE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15046675 YBDHWVNMLUCFMX-SMUOPJFFSA-N 468.478 4.345 10 10 JICE CCOC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cccc1OC 33458438 UUBSDTUNLIFVOR-LDADJPATSA-N 459.545 4.052 10 10 JICE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 59336655 AJNOOAKRHAZENM-WJDWOHSUSA-N 460.303 4.101 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 208740509 FCWUYFOGDWPEOD-LZYBPNLTSA-N 459.549 4.284 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 1083929418 HJWQGWMFBDPDHY-LICLKQGHSA-N 467.821 4.183 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O 1858590792 IWLVYSCGOPIRFA-OVCLIPMQSA-N 480.361 4.263 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)cc1OC 1859573049 AVTQCAZOBZLXQN-UHFFFAOYSA-N 473.576 4.211 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008075 BBNILDDZGXXEDU-XMMPIXPASA-N 488.588 4.434 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)c(C)c4)n(C(C)(C)C)n3)CC2)cc1 1869971138 YWYBLPFUNRJRBA-UHFFFAOYSA-N 492.624 4.003 10 10 JICE CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884144 MYSAPJKSSPUTOU-UHFFFAOYSA-N 473.573 4.446 10 10 JICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)CC1 1873170673 LSUJQWQTAFPUAK-UHFFFAOYSA-N 491.632 4.399 10 10 JICE Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2297361357 RDIIIDPELSRLEY-UHFFFAOYSA-N 474.420 4.235 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2313557709 KGVZZQKAWXGDSD-UHFFFAOYSA-N 455.785 4.314 10 10 JICE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1=O)C(=O)O 2314930302 ARYDDHFBMJMFON-CQSZACIVSA-N 484.599 4.382 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2cccs2)cc1 1125294 FQLHAPIESOCADM-SFQUDFHCSA-N 469.316 4.191 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)sc2c1CCCC2 9342256 XJEJZGSSAUGQQX-HNNXBMFYSA-N 456.564 4.112 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20236039 RQHCUBXSGGIXLT-OXOMLNGBSA-N 483.908 4.265 10 10 JICE CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Br)c3)C(=N)N2O1 20236749 RFCFIIGWNVWGAK-GYJAIJNQSA-N 458.293 4.180 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccc(O)c(O)c1)N2 20898569 BKWXYWIYXWUTPA-DEOSSOPVSA-N 494.551 4.238 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 38619348 UFYVCNKLCMXHLM-RUZDIDTESA-N 497.661 4.428 10 10 JICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39989974 LBGLUIQNGYOHCA-CCNLRRDASA-N 458.653 4.428 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1nc2ccccc2s1 40324198 UEGXXSUWRDMECI-VBKFSLOCSA-N 459.643 4.308 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(I)c3)C2=O)cc1 59860120 PXGNECYLGMEZIR-LFIBNONCSA-N 462.243 4.197 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc5c(c4)CCN5C(C)=O)cc3)CC2)cc1 65026977 PGNLVCVZRHPGKC-UHFFFAOYSA-N 455.558 4.234 10 10 JICE CCN1/C(=C/C(C)=C2/C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)Sc2ccccc21 111480370 BGUFNHOQYFNSKN-IWXNDQKYSA-N 455.561 4.446 10 10 JICE CC[C@@]1(c2ccc(/N=N/c3ccc([C@@]4(CC)CCC(=O)NC4=O)cc3)cc2)CCC(=O)NC1=O 215745097 TWJPHIGWZZVDIV-HIVOKIACSA-N 460.534 4.271 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1 526156337 JPDYIQZDFGAOPX-DEOSSOPVSA-N 461.470 4.325 10 10 JICE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N(C)C)c(F)c1 1705870478 SLNWMTDSWGPZCM-UHFFFAOYSA-N 473.394 4.478 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)ccc2OC)sc(C)c1-c1ccccc1 1860747559 OHEMJCNRZZLESH-UHFFFAOYSA-N 468.531 4.495 10 10 JICE Cc1nc(C(C)C)c(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1867157412 WLUBNONHTQUAJV-UHFFFAOYSA-N 475.570 4.497 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4C)n(C(C)(C)C)n3)CC2)cc1 1869970247 GMOYWGSKKVHZBS-UHFFFAOYSA-N 476.625 4.248 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873166291 KFSIIVLRCKYYSD-VWLOTQADSA-N 487.575 4.324 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)cccc21 1874017624 SZVXYWJLIPQNDL-AWEZNQCLSA-N 494.425 4.352 10 10 JICE O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1892093311 CCAKQCFNRMSEAR-GYGTVUFYSA-N 483.612 4.098 10 10 JICE CCCCc1ccc(CC(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2040490201 LQYSMRAMTNMNAV-UHFFFAOYSA-N 482.627 4.318 10 10 JICE COc1ccc([C@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)c(O)c1 2080029746 CNOAENMHIXHNSJ-SFHVURJKSA-N 467.351 4.318 10 10 JICE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@@H]2OCC[C@H]21 2146638972 QCOJBCYZRBXNMV-IMJJTQAJSA-N 461.784 4.065 10 10 JICE CCCC[C@H](CC)COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819110 JKMCGPMYIWZPKS-XDHUDOTRSA-N 472.534 4.436 10 10 JICE O=C1C(=Cc2ccc(I)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297324660 FZYHTCKXSREEBJ-UHFFFAOYSA-N 458.258 4.198 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C)cc1 2313557445 CXLPJBQYKLOSMF-UHFFFAOYSA-N 460.461 4.388 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2313682256 YOHJDTVANXGBKL-UHFFFAOYSA-N 483.525 4.340 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314399667 BCIJSHGODJQHGZ-IAGOWNOFSA-N 498.674 4.150 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC)C(=O)O 2314931080 BVLRDFNDSSOZMF-INIZCTEOSA-N 489.571 4.360 10 10 JICE Oc1cc(O)cc(C[C@@H]2c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 12153204 SJCXTMZZGQRDQF-SIKLNZKXSA-N 488.492 4.394 10 10 JICE biogenic,in-vitro COc1ccccc1-n1cccc1/C=C1\C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O 32964319 LOHRYTJWJQZWOI-IKQNTSMISA-N 471.542 4.492 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c2ccccc21)N1CCCC1 33311461 SYQXDPGPZMHNRB-MOSHPQCFSA-N 490.947 4.419 10 10 JICE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 33528810 GJYGPJUZJRZYOZ-SHDHLZDXSA-N 484.647 4.065 10 10 JICE O=C1/C(=C\c2cc(Br)c(O)cc2O)C(O)=NC(=S)N1c1ccc(Cl)cc1 34235146 AQMJESKJUYMLEH-WZUFQYTHSA-N 453.701 4.185 10 10 JICE Cc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 34990084 BXOOEOZRYDGMQK-UDWIEESQSA-N 470.597 4.304 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc(I)c1O 38178219 HMMSPNWJNCLYJB-YRNVUSSQSA-N 496.232 4.041 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526326956 CSNHNPDRXHXCQP-DEOSSOPVSA-N 479.485 4.189 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526383009 VWYRHZPKNNTLJB-HSZRJFAPSA-N 479.485 4.189 10 10 JICE CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862213091 WTKZVDRSYOYCKD-QFQXNSOFSA-N 481.637 4.220 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017996 AFDZKWNBGDJJNU-NRFANRHFSA-N 496.995 4.025 10 10 JICE CCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168793 JTKPGEZKSRQYNO-UHFFFAOYSA-N 453.546 4.250 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c(C)c1 1873421191 LHONWGBHBFZEGZ-UHFFFAOYSA-N 456.590 4.465 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427518 POLMEBRUEZAQKD-UHFFFAOYSA-N 454.574 4.380 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 2040498082 BUOYZVJOFYPXCD-UHFFFAOYSA-N 474.652 4.315 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2c(C)n(C)c3ccccc23)C(=O)NC1=S 2294229462 WDVPKCGIHINDOL-UHFFFAOYSA-N 468.376 4.389 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1ccc(Cl)cc1 2296397870 DADURGUFSQRFMQ-UHFFFAOYSA-N 453.857 4.026 10 10 JICE Cc1ccc(C=C2SC(=S)N(CNc3ccc(I)cc3)C2=O)o1 2297321899 MGUYTZCKDQSISB-UHFFFAOYSA-N 456.330 4.463 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(OC)cc4)cc3)C(=N)N12 2297345131 URWNHJGVQKDVSA-UHFFFAOYSA-N 482.587 4.483 10 10 JICE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c1 2297352624 HIMAMSIBRCGXHO-UHFFFAOYSA-N 462.579 4.165 10 10 JICE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313560238 NQIHXVXJTKZWOG-UHFFFAOYSA-N 477.904 4.454 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(C(F)(F)F)cc3)C2=O)c1 2320656376 LNXOVLWYSKBMQK-UHFFFAOYSA-N 466.506 4.345 10 10 JICE COc1ccc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(OC)c1OC 4673660 QEMVEBSLXZFSOX-SOPDNMILSA-N 468.560 4.222 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 15045207 FRFZFOOOWQBUBA-QNGOZBTKSA-N 470.616 4.479 10 10 JICE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15045445 DYVFYJQSEFBAHQ-OKHBPPCESA-N 463.378 4.383 10 10 JICE COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccnc4Sc4ccccc43)CC2)cc1 15736081 CLBWAVCHLBGLLW-UHFFFAOYSA-N 488.613 4.331 10 10 JICE CCN1CCCc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ccc21 33077190 LIHOHVQAGZNHAS-UHFFFAOYSA-N 465.619 4.434 10 10 JICE CCCCCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 33586168 YQQDBQMOJDXVLT-UEIJICEPSA-N 469.650 4.043 10 10 JICE COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(C)C(=O)c1ccccc1Cl 35962438 VKLQXZXXNBWGOX-JOCHJYFZSA-N 464.953 4.137 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)C(C)C)CC2)cc1 1868869374 TZJYWVXSGYPJQS-JWQCQUIFSA-N 484.040 4.332 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079858723 UUTWNOISNLVJDK-CQSZACIVSA-N 481.256 4.069 10 10 JICE CN[C@H](c1ccc2c(c1)CCCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106868293 QYOPFFKEUNKMHD-ILBGXUMGSA-N 452.643 4.355 10 10 JICE CC(C)(C)OC(=O)N1CC(c2csc(=NCc3cc(Br)cc(F)c3O)[nH]2)C1 2201912369 AMBLVVXICLOTKD-UHFFFAOYSA-N 458.353 4.119 10 10 JICE C[C@@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 2259425566 DRTYHJOTWMRRGR-OAHLLOKOSA-N 453.555 4.038 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 2296774353 YWXFHCPJPIGSJN-UHFFFAOYSA-N 458.470 4.407 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1ccccc1Cl 2297283875 NZUDLXSEXYXSKT-UHFFFAOYSA-N 454.316 4.448 10 10 JICE COCCNc1cc(N2CCN(c3ccccc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612302 SKVGYFXAXKPLFI-UHFFFAOYSA-N 454.530 4.424 10 10 JICE CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)sc2c1 9848214 FGPWERHXOVQVRW-IBGZPJMESA-N 480.634 4.269 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc21 11857554 JPCURKFHOXLAPI-UHFFFAOYSA-N 469.588 4.235 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Br)cc2)N3)CC1 13638812 AEUPQYUTIVGIOW-JTAQYXEDSA-N 488.451 4.212 10 10 JICE N=C1/C(=C\c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC(N3CCCCC3)=NN12 20356576 VIIMODFERPZMGI-PEHQALCWSA-N 452.971 4.252 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nccnc3Sc3ccccc3)CC2)cc1 33288877 GWKQJEMRDMTNRA-UHFFFAOYSA-N 452.605 4.077 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33723522 HTGWEILODBERPX-RQNDZEIBSA-N 454.577 4.208 10 10 JICE COc1ccccc1[C@@H]1CC(c2cccn2C)=NN1C(=O)CN(C)C(=O)c1ccccc1Cl 35962436 VKLQXZXXNBWGOX-QFIPXVFZSA-N 464.953 4.137 10 10 JICE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)c2ccccn2)cc1 40316903 NJUDTSXMYXPZGU-NRFANRHFSA-N 456.384 4.357 10 10 JICE C[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59428041 KZRYXKSIZJNLEV-QMIHVTFKSA-N 499.950 4.462 10 10 JICE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 303220289 RMUSYYIJXOHWAQ-UHFFFAOYSA-N 477.508 4.006 10 10 JICE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 1084227399 KKAQERUYNIBAFY-WQRHYEAKSA-N 495.285 4.382 10 10 JICE O=C1/C(=C\c2ccc(-c3cccc(OC(F)(F)F)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088687470 VQMYUXKADRREEP-GFQQVXNGSA-N 489.518 4.234 10 10 JICE O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866060692 WJGANJRGRJPMFY-LJQANCHMSA-N 466.415 4.210 10 10 JICE CCCC[C@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309819 DMHNBRKEGWCARI-SVBPBHIXSA-N 494.680 4.393 10 10 JICE CC(C)NC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870943850 LDHMJVMYGKQECF-UHFFFAOYSA-N 492.620 4.270 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2053496768 KLGINBZVZOJRKK-UHFFFAOYSA-N 464.616 4.269 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1 2294095271 MSXGZUDTGUYCSB-UHFFFAOYSA-N 482.471 4.086 10 10 JICE O=C1NC(=Cc2c(Cc3ccccc3)nn(-c3ccccc3)c2O)C(=O)N1Cc1cccc(F)c1 2297602803 BPJBGTMFHRVVIM-UHFFFAOYSA-N 468.488 4.401 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 2313549423 VYLVNIXTQBDCMF-UHFFFAOYSA-N 476.460 4.088 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Cl)c1O 2313560276 OPGWTIMVRDTCHZ-UHFFFAOYSA-N 499.745 4.177 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1)C(=O)O 2314930178 YTFKDQPEXNYQRC-IBGZPJMESA-N 457.573 4.381 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 13641632 UNLIYHKCCUVFOA-BSRJHKFKSA-N 452.551 4.305 10 10 JICE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14551956 FLGGRQHYTBXWJZ-HFMPRLQTSA-N 455.649 4.171 10 10 JICE C[C@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15048004 KTNCLWOIMJGNFF-KELUXRKGSA-N 464.568 4.174 10 10 JICE CC(=O)N1C(=O)/C(=C2/SC(=S)N(c3ccccc3F)C2=O)c2cc(Br)ccc21 33330587 IQHANFONTWXKBO-FOCLMDBBSA-N 477.336 4.257 10 10 JICE Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(O)=NC1=S 33334287 OBMXAQGZCSXHJL-DHDCSXOGSA-N 453.907 4.359 10 10 JICE COc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 39919750 KKSKDGAEHUBUGI-XMMPIXPASA-N 480.952 4.091 10 10 JICE Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 40326653 XSWQRLJBWVCIJQ-NRFANRHFSA-N 469.632 4.014 10 10 JICE COc1ccc(N2CCC(NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)CC2)cc1 726712890 FPWYTDQDQOAMMD-IBGZPJMESA-N 479.556 4.442 10 10 JICE C[C@@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N2CCOCC2)cc1 727478004 MVXSYJRRCGAAIK-MZNJEOGPSA-N 483.012 4.395 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 1860827048 PIBRRDKYATZMTH-XSFVSMFZSA-N 485.631 4.110 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5cccc(C)c5)[nH]c4c3)CC2)cc1 1862099313 VMVGKUNRXLDLOE-HXUWFJFHSA-N 497.599 4.014 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(C(C)(C)C)cc3c2=O)c2nccn2C)cc1 1866438244 VGBDMMIYUASBLZ-QHCPKHFHSA-N 457.578 4.145 10 10 JICE C[C@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867652281 IFVRHKXQJIVNOE-KDYSTLNUSA-N 472.633 4.368 10 10 JICE Cc1ccc(-c2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1868134176 VSPORNBWWARHDM-UHFFFAOYSA-N 493.519 4.031 10 10 JICE CCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665376 QMAGUXONYGIWQL-UHFFFAOYSA-N 477.605 4.112 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(Cl)cc4C)ncc3[N+](=O)[O-])CC2)cc1 1871310946 KMQRPBRQFJRHNB-UHFFFAOYSA-N 454.918 4.425 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1OC 1873931013 AQZUCQHAMYIHPX-NDEPHWFRSA-N 496.567 4.444 10 10 JICE COc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2079846794 IYOABIVDYYHMIX-KRWDZBQOSA-N 470.351 4.381 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(N)c2I)C(C)(C)C)c(O)c1 2080053357 SRUUQXOFEXGASJ-MRXNPFEDSA-N 455.340 4.471 10 10 JICE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1 2268797422 IKUQNADDMTZRJR-HXUWFJFHSA-N 457.575 4.379 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228406 TWRZSDWEQRDWCA-SFHVURJKSA-N 499.390 4.060 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348236 WRLIKXNOVXZFBJ-UHFFFAOYSA-N 457.493 4.193 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c4nc5ccccc5n34)CC2)cc1 21278170 RSPASNBIRKIUNN-UHFFFAOYSA-N 483.597 4.485 10 10 JICE O=C1C[C@@H](N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 33760384 RTDWXGYNXSCJAC-IAFGHPSKSA-N 454.960 4.430 10 10 JICE COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1cccc(C(=O)O)c1 58833994 AQPFZQYNMQZVJJ-UHFFFAOYSA-N 454.475 4.218 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc1[N+](=O)[O-] 59861353 SREYDAKIHYIQFC-JYRVWZFOSA-N 474.267 4.489 10 10 JICE CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)CCC[C@H]2C1 1468671081 XEJNQOIKXKYPQE-WTOYTKOKSA-N 458.400 4.233 10 10 JICE CCC[C@@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107915 PEMTYNDSFPDRBS-XMMPIXPASA-N 491.636 4.017 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012009 OYLJLHCUSJNIFA-QFIPXVFZSA-N 496.995 4.161 10 10 JICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868254502 RBQMJVAXZYLXCR-INIZCTEOSA-N 494.555 4.031 10 10 JICE CCCC[C@@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869064092 GOTDCILTDQDUFC-XMMPIXPASA-N 489.620 4.031 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4C(C)C)n(C)n3)CC2)cc1 1869969110 FEQJYFMGIHQKHG-UHFFFAOYSA-N 492.624 4.071 10 10 JICE COc1ccc(CN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167270 YZTHKYFEGGYHDD-UHFFFAOYSA-N 471.557 4.143 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCCN(C)C)C2=O)cc1 1873169738 FYSLABSSMXZOMW-DVECYGJZSA-N 462.638 4.294 10 10 JICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421351 SQGXYBOLWLTKQU-UHFFFAOYSA-N 472.589 4.246 10 10 JICE COc1cccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)CC2)c1 1873506563 LAISLQFANQPYER-UHFFFAOYSA-N 455.562 4.267 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(F)ccc1F 1873885691 RDBZVORJPDXMSZ-UHFFFAOYSA-N 456.452 4.491 10 10 JICE O=C(Nc1nc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cs1)c1cccc(F)c1 1891886444 RDVHNJPOEYBFFY-JXFKEZNVSA-N 450.539 4.453 10 10 JICE COc1ccc(O)c(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 2130838603 IFDSJVPNJRJSKK-UHFFFAOYSA-N 455.599 4.050 10 10 JICE COc1ccc(Br)c(CN=c2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)cs2)c1O 2236045073 QBPCRMRBIXCRST-SNVBAGLBSA-N 458.378 4.240 10 10 JICE COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCCC2)c(C)c1 2293452790 HWXRVBHTQBAAMV-UHFFFAOYSA-N 469.994 4.396 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314754945 JOUFWNHILCWIFD-UHFFFAOYSA-N 497.436 4.120 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCc1nc2ccccc2s1 2314913611 BUFWRNZOZFHCFX-UHFFFAOYSA-N 457.577 4.343 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)C(=O)O 2314931296 DNSFVKNJXZQAPX-QGZVFWFLSA-N 487.599 4.390 10 10 JICE CCC[C@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329517848 CBQYEQFDLPUGJJ-SANMLTNESA-N 479.621 4.131 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2358635551 FGEPANXMIAGZED-XGHQBKJUSA-N 472.630 4.302 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3C(=O)O)CC2)cc1 33253115 PRQLNVNBYHAGNX-UHFFFAOYSA-N 495.601 4.138 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 33457238 PPSHCSWMMWPYQH-SWGFWHAOSA-N 488.319 4.437 10 10 JICE CCN(CC)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312100 DLUSVNWDNMXYOD-XMMPIXPASA-N 495.576 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@H](c4ccccc4C)N(C)C)nc3C)CC2)cc1 1858128156 WXOGMBDALIYJKY-QHCPKHFHSA-N 464.635 4.382 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)sc3C)ccc21 1859573529 UIUVFTGSZVFFPY-UHFFFAOYSA-N 490.538 4.266 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862148603 YCPMDHIIIXNPDZ-GEJZUGHGSA-N 493.673 4.256 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)n(-c4ccccc4)n3)CC2)cc1 1862362743 XDAGBDWRVDXWMC-UHFFFAOYSA-N 496.567 4.282 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017690 RSSDQIIJKRGBPP-NRFANRHFSA-N 494.979 4.253 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864023284 XEBVCJAFCWDDAX-KRWDZBQOSA-N 496.530 4.360 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865679216 BEDVGRBOAWIBHX-QPEQYQDCSA-N 498.211 4.477 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4ccccc4C)n3)CC2)cc1 1869153214 SMAWXXUQCLAFGT-NRFANRHFSA-N 459.594 4.012 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4ccccc4)n3)CC2)cc1 1869193295 BXQHDSMQBCIXAS-NRFANRHFSA-N 473.621 4.483 10 10 JICE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873574107 QWUMWUBMUZJWSB-UHFFFAOYSA-N 464.614 4.097 10 10 JICE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2294229486 YZLIIAQAQBBQFN-UHFFFAOYSA-N 477.517 4.071 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC 2313558512 CLQCQYRTOBMTRB-UHFFFAOYSA-N 493.354 4.217 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OC(C)C 2314759331 BOXORGAAYQMCER-UHFFFAOYSA-N 474.398 4.311 10 10 JICE CCOc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)ccc1OCC(=O)N(CC)CC 2332139694 HZHPGWKTBVAXND-UHFFFAOYSA-N 467.541 4.273 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 20236676 QHADZGBBPSNMHD-XHJIMPDRSA-N 496.317 4.436 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1OC 35638746 PTQYTOVFZHULNZ-CPNJWEJPSA-N 458.561 4.030 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 40928220 XYAHHBAZTYCZQZ-NXVVXOECSA-N 483.409 4.096 10 10 JICE CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 40940414 LUCZNGWJQWHLFC-WJDWOHSUSA-N 463.378 4.394 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)NC1CCCCC1 101575244 JCNSXGAIQLCYLO-HMAPJEAMSA-N 491.544 4.027 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]32)cc1 253575161 UGTUXGGAZIUKFL-ZLNRFVROSA-N 457.526 4.208 10 10 JICE Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c1N=Nc1ccc(S(=O)(=O)O)cc1 256231818 UCMZEYARGFADTM-UHFFFAOYSA-N 476.496 4.175 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)c1 526561986 NRBKOHRDZUAGAN-QFIPXVFZSA-N 455.413 4.450 10 10 JICE NC(=O)c1ccc(CN(C2CC2)[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913098666 CZYLKBUEIOTNSF-DEOSSOPVSA-N 467.529 4.497 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCc2ccccc2C1 1860343529 FXENWOZPHNYIGN-UHFFFAOYSA-N 460.537 4.159 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@H]21 1860347310 IYPBTZWXCROLFZ-SANMLTNESA-N 481.512 4.335 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865031965 SESNMBMLZJXXEP-QHCPKHFHSA-N 494.551 4.172 10 10 JICE COC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866113850 XRRVHOXTZGMIPH-UHFFFAOYSA-N 486.615 4.352 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCOc4ccc(C)cc4)cc3)CC2)cc1 1872718973 ZDJCCPPZUVKZQR-UHFFFAOYSA-N 496.629 4.362 10 10 JICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419464 GKQGUWBXWMTRMG-DEOSSOPVSA-N 499.567 4.252 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873548815 LEAOXCCJBBIUDH-HXUWFJFHSA-N 476.625 4.049 10 10 JICE COc1cccc(O)c1CNC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2130838549 HENIVJYBLDJAQN-UHFFFAOYSA-N 455.599 4.050 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1F 2293993133 JFPBOZBUGQIECD-UHFFFAOYSA-N 489.326 4.425 10 10 JICE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 2294106399 HPJRGBSFQBGXPJ-UHFFFAOYSA-N 471.256 4.359 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2314413782 HTGWEILODBERPX-CQSZACIVSA-N 454.577 4.208 10 10 JICE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)SC1=S 2331592488 QFRJSPHKRWQTHZ-UHFFFAOYSA-N 471.560 4.470 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)NCc3ccc(Cl)cc3)c3ccco3)CC2)cc1 38620053 YZWFCYRJCSGAKV-QHCPKHFHSA-N 468.985 4.304 10 10 JICE CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 96925208 PBEJTCDEIOFSRJ-XFXZXTDPSA-N 470.529 4.121 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)c2)CC1 1269318473 LMKHNDIXJITLPX-UHFFFAOYSA-N 452.555 4.263 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C[C@H]1CCCN2CCCC[C@H]12 1614474413 PMFNJYLCLWZXBA-NTKDMRAZSA-N 454.611 4.090 10 10 JICE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)C)C1 1705917573 VZHQOJALOQCDPC-HSZRJFAPSA-N 476.625 4.049 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4cccc(-c5ccccc5)c4)C3)CC2)cc1 1858382563 NNXVZCSIYWCWOS-VWLOTQADSA-N 469.585 4.173 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858592739 VYMDJKBICCDQPN-INQNZLQJSA-N 482.352 4.191 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865033982 MRLQVLTVHLYEDG-INIZCTEOSA-N 482.503 4.066 10 10 JICE CCCCCOc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676866 QTNKPVFEHXRTTN-UHFFFAOYSA-N 476.621 4.191 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427168 FFIQTPURJGQUNX-UHFFFAOYSA-N 499.571 4.289 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079049322 HOMNHTPBXBOOQP-ZDUSSCGKSA-N 450.223 4.383 10 10 JICE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106865468 HWKJQIQHLUXNEJ-IGKIAQTJSA-N 450.627 4.456 10 10 JICE CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2106883849 VLGJMAHMBVHZHT-UHFFFAOYSA-N 460.619 4.446 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNCc2ccc(Br)cc2O)C1 2163258140 WJDDMDFLVKPDSE-TZMCWYRMSA-N 453.299 4.290 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 2296132715 GAJVVRCLKZZTGJ-UHFFFAOYSA-N 463.471 4.085 10 10 JICE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2297464091 OLJGKYITBHOVSZ-UHFFFAOYSA-N 494.642 4.323 10 10 JICE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2314413668 DIQHIHLSWGXILF-KRWDZBQOSA-N 484.647 4.128 10 10 JICE C[C@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)C[C@H](C)O1 2314486724 BRCSDABMFILGHF-IRXDYDNUSA-N 452.601 4.184 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2314539216 NFFYLEFGJAYLFW-UHFFFAOYSA-N 464.318 4.251 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@H](C)C(=O)O 2314934376 HHVUXIINJCUYOH-CYBMUJFWSA-N 459.545 4.352 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@H](CC)C(=O)O 2314936103 VBCLWTKDVJJTQP-OAHLLOKOSA-N 487.555 4.462 10 10 JICE CC(C)Oc1ccccc1/C=C1\SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 33405342 XBLMZBQVBDTYNE-QNGOZBTKSA-N 452.536 4.175 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 35144302 DVXUQBLJBRVPQS-NBVRZTHBSA-N 467.572 4.033 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)OC 35384536 CGGDLWFVORDJFE-UNOMPAQXSA-N 459.545 4.052 10 10 JICE Cc1c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C 38704549 UWMPKBRGWHVHCS-CYVLTUHYSA-N 480.615 4.474 10 10 JICE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2c1 38732313 KCOOEQMIGHSNOT-MOSHPQCFSA-N 451.573 4.374 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(F)cc23)[C@H]2CCS(=O)(=O)C2)cc1 54362119 NFOLDPUMFHBTBE-QFIPXVFZSA-N 472.582 4.177 10 10 JICE COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCCO4)C2=O)c1OC(F)F 98002430 NVDYDBNZCQCJTB-CXUHLZMHSA-N 451.472 4.474 10 10 JICE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=N)N12 104372978 AKXIJPXGUBEMQZ-XYPMFZOPSA-N 466.430 4.481 10 10 JICE CC(C)C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1858074994 YZJNYDDFONYPTM-IZZNHLLZSA-N 490.648 4.107 10 10 JICE COc1ccc(OC2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CC2)cc1 1869289776 SWSCMKZQDJADPT-UHFFFAOYSA-N 489.620 4.177 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873164756 QPNYEEMPDWKYCT-NRFANRHFSA-N 456.590 4.086 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCCCc3ccccc3)n4C)CC2)cc1 1873566431 JSHSJKURIFESBR-UHFFFAOYSA-N 498.631 4.056 10 10 JICE CC(C)Cn1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1=O 1874180003 VKBDWVSXAQMHRQ-UHFFFAOYSA-N 465.509 4.009 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1c1cc(Br)cc(Br)c1O 1952134040 BZMNECLLHBRCFF-ZWNOBZJWSA-N 450.171 4.317 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079848179 DTBNCSIHZYXCMS-CYBMUJFWSA-N 451.239 4.411 10 10 JICE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079979022 KEZLHABYBDPPFH-QGZVFWFLSA-N 472.323 4.186 10 10 JICE CN(Cc1ccccc1O)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2124288780 JVMLIBGFDKSSEO-SANMLTNESA-N 454.567 4.195 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)o1 2297353186 IOWNOINDYXQNST-UHFFFAOYSA-N 478.534 4.472 10 10 JICE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccn1 2297366121 NMOFYSVDPVOJDO-UHFFFAOYSA-N 451.367 4.263 10 10 JICE COC(=O)[C@@H](C)N1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2297465448 GRECDUDMDXANTA-GFCCVEGCSA-N 472.975 4.020 10 10 JICE CCOC(=O)N1CCN(C=C2SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 2297471588 IQPUSDYVKIJKGW-UHFFFAOYSA-N 485.672 4.058 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(Cl)c4)n3)CC2)cc1 8979955 QVHFUAKEYFTDFQ-UHFFFAOYSA-N 471.970 4.412 10 10 JICE COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 57015862 QGDJDJHPIKVYOH-CLOONOSVSA-N 465.619 4.447 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1C 213166356 FGNOZWLGMPGDDL-AQTBWJFISA-N 495.582 4.170 10 10 JICE COc1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)n2C[C@H]2CCCO2)cc1 915795555 BJJXFKCEJLGCCV-XMMPIXPASA-N 495.649 4.057 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)sc(C)c1-c1ccccc1 1860747760 VEISJOOXXFHLPU-UHFFFAOYSA-N 466.515 4.264 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1866205074 SNLLYXUYSPOZFG-WOJBJXKFSA-N 478.570 4.033 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165513 MAGCCMJZBIEJKY-UHFFFAOYSA-N 472.589 4.174 10 10 JICE O=C(O)C[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951956096 AGKLLEUDPRYPFB-HNNXBMFYSA-N 463.486 4.291 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](CNCc2ccc(Br)cc2O)(C(F)(F)F)C1 2167674120 KXPFWCUOYDJQGP-QGZVFWFLSA-N 453.299 4.434 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1cccc(C)c1 2293142381 LVEAYNRAGWLNBZ-UHFFFAOYSA-N 459.589 4.357 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C1=O 2294280007 QFNSXCMUFLNYAU-UHFFFAOYSA-N 457.486 4.076 10 10 JICE CCN1C(=O)C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2296731266 KCSVTJNVJKGBQT-UHFFFAOYSA-N 488.388 4.470 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 2313510272 HQTPEGOXTGLQQS-UHFFFAOYSA-N 488.412 4.270 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2314650661 VBZXLQWUUUFLKB-GFCCVEGCSA-N 496.906 4.027 10 10 JICE COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OC(=O)c1ccccc1 2958440 QUOAVFDFMFBRDI-NTEUORMPSA-N 497.335 4.008 10 10 JICE CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)NC1=S 6178163 MEULYSDACCZURP-CXUHLZMHSA-N 465.344 4.253 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccccc3C)ccc21 15962026 WTAXWHKRKCFMDY-UHFFFAOYSA-N 452.668 4.299 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(N5CCCCC5)nc4)c3C)CC2)cc1 32944436 YKGKYWZWMGQGPX-UHFFFAOYSA-N 473.621 4.450 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc5ccc(C)nc45)c3[N+](=O)[O-])CC2)cc1 40611167 VDZXPUJPDDBUFG-UHFFFAOYSA-N 471.521 4.320 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526353488 QPMLFUTVEVZKSI-HSZRJFAPSA-N 461.470 4.340 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862152944 XCVBRWDCZBJFPH-ZIGLLSCRSA-N 488.415 4.355 10 10 JICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014174 OSGOUHIQAKTFIS-HSZRJFAPSA-N 494.551 4.232 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679437 NJUYPBVSJBJFAH-FYJGNVAPSA-N 487.468 4.218 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873169912 HVLZXAWOCHKXAT-DFBJGRDBSA-N 474.649 4.437 10 10 JICE COCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420708 UOIDYQSRAGAOQN-UHFFFAOYSA-N 474.517 4.149 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c2C)cc1 1874192014 REOCXNUKTHLWFG-UHFFFAOYSA-N 488.009 4.329 10 10 JICE CSc1ccc(C=C2SC(=O)N(CCNC(=O)c3ccc(Br)o3)C2=O)cc1 2040437267 OIEUREBGYSNBNQ-UHFFFAOYSA-N 467.366 4.230 10 10 JICE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OCCCOc1ccccc1 2293453450 KTQIVXMTJHDOND-UHFFFAOYSA-N 450.520 4.182 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1C 2296660268 RFHBBXMXCRODPW-UHFFFAOYSA-N 458.514 4.313 10 10 JICE COc1ccc(OCCOc2cccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)cc1 2297310342 CTGGLCIVIBYXHY-UHFFFAOYSA-N 464.547 4.428 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C 2297335290 BIFQGXYQIHUZDT-UHFFFAOYSA-N 458.514 4.231 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl 2297361780 WNPQPOYMQGEJHI-UHFFFAOYSA-N 494.931 4.276 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 2313683232 VEVOWUDWBCXQHL-UHFFFAOYSA-N 451.376 4.376 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)C(C)=O 2314926983 WYNPPWMDGYDTSI-FXAWDEMLSA-N 455.557 4.460 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc(C)cc5)nc43)CC2)cc1 8979506 HQYNLBDZUZJRAF-JOCHJYFZSA-N 490.629 4.481 10 10 JICE Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)c3ncccc23)cc1 9546572 OUORSLHMFVZAIB-UHFFFAOYSA-N 468.556 4.191 10 10 JICE CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14543672 VWVBPTFXXFZMDU-KUQPJALBSA-N 454.592 4.369 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)o1 20356740 IOWNOINDYXQNST-ODJOWLHGSA-N 478.534 4.472 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(Cc3cccs3)=NN12 32964358 PMSCNYCLLVNPSM-CDLNYGKDSA-N 462.516 4.309 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 33781440 CQDUJCYQDZPDMV-PDGQHHTCSA-N 450.589 4.145 10 10 JICE CCC(=O)NCCc1c(/C=C2/C(=O)N(c3cccc(C)c3)C(=S)N=C2O)[nH]c2ccccc12 38173203 GHKSEZBULLTPCW-XMHGGMMESA-N 460.559 4.217 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)cc2c1 38732823 GUGXEZXFOGILTJ-STZFKDTASA-N 482.675 4.492 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCOC)C2=O)cc1 39835635 MRAAMTKFJBZYKM-XDJHFCHBSA-N 481.599 4.287 10 10 JICE CCCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562654 VUDMNEKTIVDTHL-HKWRFOASSA-N 468.648 4.328 10 10 JICE Cc1ccc(-c2ccc(NCc3ccc(N(C)C)cc3)nn2)cc1S(=O)(=O)N1CCCCC1 65009330 KGSMLBMKPDZSGF-UHFFFAOYSA-N 465.623 4.305 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCCCOC(C)C)nc12 102863556 JDERRRJCRLLOMI-CPNJWEJPSA-N 498.630 4.224 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C)c1 1084219356 IGHARHFLCHBNDY-BKUYFWCQSA-N 460.461 4.388 10 10 JICE CC(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)n(-c4ccccc4)c3C)c(Cl)cc21 1464232325 PGSFHZPMGLOTBD-UHFFFAOYSA-N 457.983 4.135 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614474498 YNBCFEPKYNTOFA-XMSQKQJNSA-N 463.018 4.482 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3NC(=O)OC(C)(C)C)c2)CC1 1638708449 IIFTVEAXGIFCJM-UHFFFAOYSA-N 456.518 4.094 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cc(F)ccc4F)CC3)ccc21 1860604309 NEKFCAUSIXRKFH-UHFFFAOYSA-N 474.463 4.231 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864012784 JASLUJITTPFRRZ-JOCHJYFZSA-N 494.567 4.045 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865026557 POFXEEGAJMRAHW-QHCPKHFHSA-N 494.567 4.133 10 10 JICE COc1ccccc1CN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165021 DLPGWUNCHYXRDT-UHFFFAOYSA-N 487.600 4.397 10 10 JICE CCOCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165641 OAZGYERMOVXADA-UHFFFAOYSA-N 467.610 4.005 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3cccs3)C2=O)cc1 1873166346 MMQCPKUWVNUJHN-QFIPXVFZSA-N 475.614 4.247 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COCc4ccccc4)cc3)CC2)cc1 1874748491 FQYWFLPMSOJJDB-UHFFFAOYSA-N 488.584 4.212 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079007600 VYZVEJCOBGVOEZ-KRWDZBQOSA-N 452.292 4.467 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080052507 BAOFEOBABWKAJP-KRWDZBQOSA-N 469.367 4.348 10 10 JICE CCCC1=NN2C(=N)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 2295914207 PXPYAKKCWOJDSS-UHFFFAOYSA-N 468.560 4.182 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1ccc(C(=O)O)cc1 2297734924 OBCZGQFSICTOQR-KRWDZBQOSA-N 450.436 4.292 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400626 ONRIZTRJHIJLQZ-CALCHBBNSA-N 486.663 4.008 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314932823 ZGUCLDHVDPPAEA-INIZCTEOSA-N 476.963 4.128 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914264 UXDHUOCCDDCIIF-AREMUKBSSA-N 464.560 4.324 10 10 JICE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33470211 YUZYJNUHTBEPFO-DEDYPNTBSA-N 470.664 4.428 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 226697214 QXWUDBBJACCLDB-IEGUWTFLSA-N 488.997 4.011 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4CC)o3)C2=O)cc1 1084258780 FUEOQFUPIGEZEM-STZFKDTASA-N 475.457 4.482 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C1=O 1084527202 TWOABFUAIVJDEA-NDENLUEZSA-N 496.361 4.273 10 10 JICE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1722749011 MWUSYNHORRQLMQ-JWQCQUIFSA-N 496.700 4.067 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864009452 HRKBHKCYEVTYGM-PGRDOPGGSA-N 470.614 4.428 10 10 JICE COCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870931359 ZXRUFEVSGCSRNW-UHFFFAOYSA-N 499.571 4.263 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1-n1cnc2ccccc2c1=O 1874179825 RADDIFMSVHCORQ-UHFFFAOYSA-N 471.472 4.413 10 10 JICE CN1CCc2cc([C@@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2106852831 KEFNSPNBEQDTQI-XMMPIXPASA-N 450.627 4.238 10 10 JICE CC[C@@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1)c1cc(Br)ccc1O 2238239409 LBTYFIXTKVOTOO-CYBMUJFWSA-N 457.394 4.059 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc(C)cc1 2293582708 AFSCFKDVYVDACT-UHFFFAOYSA-N 486.524 4.436 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 2293692928 RMUFWRBFJBNDTQ-UHFFFAOYSA-N 475.364 4.452 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)cc1 2294235358 GDLZAHPOARCLIC-UHFFFAOYSA-N 472.522 4.104 10 10 JICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C1 2296706636 BQRYIMYOMVVOOV-HZPDHXFCSA-N 480.615 4.171 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1 2297333816 VDILCCFHOZOEMP-UHFFFAOYSA-N 466.544 4.244 10 10 JICE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2313681650 KCMUDDKOFJPCFX-UHFFFAOYSA-N 453.470 4.288 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3SC(N4CCC(C(=O)OCC)CC4)=NC3=O)o2)cc1 2314433130 KERDUGNSOUXVTN-UHFFFAOYSA-N 482.558 4.369 10 10 JICE COc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659028 KPAKKFGAQGZJDR-HSZRJFAPSA-N 494.551 4.232 10 10 JICE CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OC 33295572 UQFDJRKYVULKEY-MFOYZWKCSA-N 486.908 4.414 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NCCc1ccccc1 33317864 QRBMGEIRCCDMPJ-NBVRZTHBSA-N 475.433 4.399 10 10 JICE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33478713 YMUICFXRIMGSBJ-XXBNENTESA-N 472.651 4.033 10 10 JICE CC(=O)c1ccc(NC(=O)/C(C)=C\C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 71538223 HTGMNEHFCZDKOP-SQFISAMPSA-N 452.466 4.188 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)s1 211940199 OADJBQVQRAOJAG-GZTJUZNOSA-N 474.633 4.398 10 10 JICE Nc1ccc(N(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc2)cc1 244306999 XBCWUFPGLAURJR-UHFFFAOYSA-N 486.981 4.313 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)c1OC 526560015 FDKZQXNZVRCWKC-OAQYLSRUSA-N 455.413 4.450 10 10 JICE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Br)cc1 586206527 SDAJWNCGHPURBW-UHFFFAOYSA-N 470.344 4.440 10 10 JICE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084102195 NQIHXVXJTKZWOG-NDENLUEZSA-N 477.904 4.454 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018589 OKZOJQKLNVHPMZ-SZNDQCEHSA-N 496.995 4.168 10 10 JICE CCCN(CCC)C(=O)COc1ccc(/C=C2\C(=O)N(CC)N=C2c2ccccc2)cc1OC 1865675522 MBNJLKUEWFQPFD-XLNRJJMWSA-N 463.578 4.372 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867868 HJXOMAOUVXUOEF-QHCPKHFHSA-N 470.013 4.086 10 10 JICE COc1ccc([C@H](C)NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OC 1873994727 KKESOCNIWIWAEB-HNNXBMFYSA-N 454.482 4.223 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccco3)ncnc21 1875211719 KPYIRMWZXQVXOI-UHFFFAOYSA-N 488.592 4.408 10 10 JICE COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1OC(=O)c1cc(O)c(O)c(O)c1 1887511265 RSJRCGFMAPFKMY-SOFGYWHQSA-N 457.523 4.420 10 10 JICE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)c(O)c1 2079024099 YNDQCGZGMOPBES-QGZVFWFLSA-N 452.336 4.435 10 10 JICE CCNC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1Br 2079184666 UOPHQYPIVJSDHD-UHFFFAOYSA-N 460.172 4.187 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079845851 VTBVSUWGZGPUGI-QGZVFWFLSA-N 469.367 4.348 10 10 JICE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)C1=O 2332139757 OSPSXQYNUDHPPY-UHFFFAOYSA-N 493.604 4.381 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 35225867 DYLFTETXFKLLLX-XSFVSMFZSA-N 492.626 4.013 10 10 JICE CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(C)=O 37423058 HFAWJUGXPDSBKJ-GOSISDBHSA-N 462.612 4.456 10 10 JICE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1F 39793910 YVSPFIIYRMXXIT-NVNXTCNLSA-N 467.341 4.095 10 10 JICE CCOc1ccc(C2=NC3(CCN(C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1 65298112 YZCRPHLONGEJHM-NRFANRHFSA-N 458.400 4.499 10 10 JICE biogenic CC(=O)[C@@H](/N=N/c1ccccc1S(=O)(=O)Nc1cnc2ccccc2n1)C(=O)c1ccccc1 196549091 OJCIRNSVIDTMRH-SNSKHAEWSA-N 473.514 4.355 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 208739726 YTQPNYJHXNCKEY-LICLKQGHSA-N 455.586 4.453 10 10 JICE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCSc2nccs2)[C@@H](C)C1 1722791286 QWKSYMKRSGSPBB-INIZCTEOSA-N 491.086 4.218 10 10 JICE Cc1csc2nc(Cl)c(CNCCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n12 1860710295 MGKWPDWLQLAFRJ-UHFFFAOYSA-N 478.961 4.251 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 1861925725 NFCOKROWQVLPKW-VWLOTQADSA-N 495.982 4.178 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864009780 DKQDWANQPISZPS-LHSJRXKWSA-N 496.995 4.499 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867666388 MOJCBATZLUMQLF-RUZDIDTESA-N 475.637 4.086 10 10 JICE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421088 GFEFGYGBQAYZQD-UHFFFAOYSA-N 484.600 4.440 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(CC)CC)ncnc21 1873553318 RWVPHMXANJNNPL-UHFFFAOYSA-N 464.614 4.049 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCCCCN=[N+]=[N-])c1 2060620246 YCDWMMNJWIKGEY-UHFFFAOYSA-N 459.288 4.459 10 10 JICE CN(C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1)C(=O)OC(C)(C)C 2106871251 DQPQRGLENIZSHT-KRWDZBQOSA-N 460.619 4.255 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 2296546482 ZNTTUZNBTAFLCH-UHFFFAOYSA-N 494.642 4.481 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O 2297341910 TUAIHLIIKYDFBE-UHFFFAOYSA-N 478.888 4.300 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F 2297471516 XUEXUCMYBJIFBJ-UHFFFAOYSA-N 463.412 4.246 10 10 JICE CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1O 11867630 NGMQEYYXETZRSP-FUHWJXTLSA-N 489.597 4.274 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)c(C)c1 33286879 ADFYRXFGCFOGQY-HYARGMPZSA-N 465.575 4.123 10 10 JICE CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592467 GLSLKUWWCFPBSU-LFVJCYFKSA-N 483.634 4.148 10 10 JICE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 33715580 VIFJESYOVSHMTJ-VXPUYCOJSA-N 453.589 4.117 10 10 JICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)c(OS(=O)(=O)CC)c1 36009031 SMEBGALJEWAAAT-OAQYLSRUSA-N 492.613 4.222 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C(=O)OC)[C@@H]1c1ccc(O)c(O)c1 526482395 ZHEOEVLCCHDURO-HSZRJFAPSA-N 491.496 4.349 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028467 VQIQLNFACVFXRR-JLCFBVMHSA-N 494.979 4.341 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030055 BCIDUGSKHZTXMY-OAQYLSRUSA-N 470.614 4.246 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033099 ROGXPAGEQOCSJG-QFIPXVFZSA-N 476.577 4.189 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(Cl)ccc(Cl)c3c2=O)c2nccn2C)cc1 1866449263 MXQDRVZBMIWUNW-LJQANCHMSA-N 470.360 4.154 10 10 JICE CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866934623 FWVYLTGCSTUYCZ-RTWAWAEBSA-N 470.500 4.238 10 10 JICE CCc1nc(N2CCC(N3CCCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869133835 QECQAQXZDUVUBG-UHFFFAOYSA-N 478.685 4.219 10 10 JICE C[C@@H](O)Cn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870867312 CPNCRPYYDZNTDS-LJQANCHMSA-N 479.577 4.305 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1892118521 JZGSGUSMBOUNSF-APTRMMRNSA-N 488.053 4.188 10 10 JICE COCCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S 2042449570 HLZVSHVKECQSAI-UHFFFAOYSA-N 451.570 4.205 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(F)cc1 2296881669 VHLDWHOLOLTMRS-UHFFFAOYSA-N 451.342 4.428 10 10 JICE CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380789866 MVPWYLHYRUVGRE-AWEZNQCLSA-N 461.422 4.068 10 10 JICE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccc1C(F)(F)F 10672899 DJANOEMKVQGTDN-LICLKQGHSA-N 480.489 4.065 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)CSCc3ccccc3)c3ccco3)CC2)cc1 56943674 PGEQCFVBQJQMPQ-DEOSSOPVSA-N 465.619 4.201 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCOCC1 226709460 MTIUTFMQKYSOKB-JLHGSKIFSA-N 491.407 4.002 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526280190 YZVKGFIJSNXKOO-XMMPIXPASA-N 491.496 4.349 10 10 JICE O=C(Nc1cccc(C(=O)NCc2ccncc2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586697979 ABQLJFOCJGPIIQ-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 1083949135 ZHFOLZJVEXOUGW-ATVHPVEESA-N 480.492 4.384 10 10 JICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 1084364621 RVEFKOXFUBYJAR-DHDCSXOGSA-N 473.323 4.140 10 10 JICE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 1084600765 PZVOMLUBKGMEAQ-HAHDFKILSA-N 457.486 4.028 10 10 JICE O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860554108 BEMIKNRBFSXNRL-UHFFFAOYSA-N 461.477 4.291 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861945528 SFUMDWWXGUMCTN-LJAQVGFWSA-N 499.655 4.321 10 10 JICE CC(C)COc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867724644 DLOQNHIGWHRPPT-AMGIVPHBSA-N 494.680 4.249 10 10 JICE CCC[C@@H](NC(=O)/C=C(\C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868662335 HOVIKFDMORKLAQ-QEBGPUIJSA-N 463.622 4.295 10 10 JICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873166162 FFVPWGYXUHCTJS-VWLOTQADSA-N 469.585 4.451 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873168204 MLGMZFXLKXLWRI-UHFFFAOYSA-N 471.605 4.452 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)c(O)c1 2079856923 WTECYVASKSHYEK-ZDUSSCGKSA-N 467.229 4.192 10 10 JICE COc1ccc(C(=O)Oc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)cc1OC 2293818049 DLAZNPNHMKZSEA-UHFFFAOYSA-N 465.936 4.074 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCc4ccccc4C3)nc12 2296547567 BNNPHXWWMBTOAT-UHFFFAOYSA-N 490.654 4.423 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716241 OWJHAGOQAMBXCV-HZPDHXFCSA-N 456.637 4.178 10 10 JICE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 2296753635 TXLGTVIFUUVLOC-UHFFFAOYSA-N 471.560 4.483 10 10 JICE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2296754876 MXLDVGDENNTOKQ-UHFFFAOYSA-N 463.378 4.298 10 10 JICE O=C1C(=Cc2ccccc2O)SC(=S)N1CNc1ccc(I)cc1 2313502010 WBAVSFFIYZUXDY-UHFFFAOYSA-N 468.341 4.268 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 2313559376 XIWQDLPAKGCVFK-UHFFFAOYSA-N 450.466 4.375 10 10 JICE COCCN1C(=O)C(=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)SC1=S 2314506211 BTCMLXOTALCLMN-UHFFFAOYSA-N 487.990 4.296 10 10 JICE CCOc1ccc2nc(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c2c1 10732696 HZZUAUPWOBVICW-UHFFFAOYSA-N 457.511 4.468 10 10 JICE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 20208619 OQZATHIFGCDKBV-BQLOJNAPSA-N 476.967 4.247 10 10 JICE CCOC(=O)[C@@H](C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccccc3)coc12 96579720 LYPQOCUTJYTSEX-ZDUSSCGKSA-N 461.264 4.073 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccccc1F 1860343620 JSHFJSRSWDXQIO-UHFFFAOYSA-N 452.489 4.030 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)CCCCCC(=O)N2CCCCCCC2)c2nccn2C)cc1 1866198051 SAYVLENGYYUNTB-AREMUKBSSA-N 467.658 4.435 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2cccnc2)cc1OCCCO 1871263483 DCCZYCDCJBTBND-UHFFFAOYSA-N 456.546 4.409 10 10 JICE COc1ccc(NS(=O)(=O)C2=NC(c3ccc(C)cc3)=S=C2c2ccc(F)cc2)cc1[N+](=O)[O-] 1871285007 CRBHSXIVTOPITN-UHFFFAOYSA-N 499.545 4.337 10 10 JICE CN1CCN(c2ccc(NC(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)cc2)CC1 1872742791 BBBPQNOGLDOIIO-UHFFFAOYSA-N 454.578 4.300 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccco3)C2=O)cc1 1873163943 DDEXLOXBKPDFPG-UHFFFAOYSA-N 452.514 4.152 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080053019 FKDDCURAWWSVBN-AWEZNQCLSA-N 466.241 4.321 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCC(=O)O 16915724 IYDDAFPUHFJOIF-VXLYETTFSA-N 457.529 4.157 10 10 JICE C=CCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33507185 ZWUKHCWTQLHLCE-CYVLTUHYSA-N 462.600 4.045 10 10 JICE CCOc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 39794076 MUDUUFGTUZSRKA-YVLHZVERSA-N 493.404 4.354 10 10 JICE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066542 ZLAWJHJGTDHKDJ-NDENLUEZSA-N 466.632 4.077 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865032318 AFXRMJSGRHWJDU-GAJHUEQPSA-N 488.588 4.250 10 10 JICE CC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868885785 NHXMSKCSHPSKTP-SVBPBHIXSA-N 493.648 4.221 10 10 JICE CCOC(=O)c1cccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)c1 1872849671 BXGXIUNVVNVNGD-UHFFFAOYSA-N 474.557 4.413 10 10 JICE CCCCOCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167752 WCTUGTUYYSFDJE-UHFFFAOYSA-N 494.680 4.312 10 10 JICE O=C(N[C@]1(c2cccc([N+](=O)[O-])c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762391 LPXLPTMXPHUMFI-NLFFAJNJSA-N 460.442 4.139 10 10 JICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)CC1CCC1 2136260334 BWVIRKFEGVQPIC-NRFANRHFSA-N 454.567 4.363 10 10 JICE NC(=O)c1c(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)sc2c1CCCC2 2295923705 INLUPNCOKNILMT-UHFFFAOYSA-N 491.685 4.407 10 10 JICE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1Cl 2314650731 ZFLVZJLMRCWTCX-CQSZACIVSA-N 465.936 4.428 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831284 HMPYZXWHNHHNIV-UHFFFAOYSA-N 487.559 4.406 10 10 JICE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 15035607 ZMBANHYQAHWOPO-NVNXTCNLSA-N 467.341 4.134 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413322 NLPBEOWECHYKHU-RUZDIDTESA-N 472.501 4.230 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)cc1 210422390 VKRLAJSFYJFSAH-RGEXLXHISA-N 484.599 4.384 10 10 JICE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 731058845 CQCDNDMKEYJKPD-UHFFFAOYSA-N 494.392 4.267 10 10 JICE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc(O)c2cnn(-c3ccccc3)c2n1 916727622 GLGNEWNEYPWJMW-UHFFFAOYSA-N 486.557 4.468 10 10 JICE COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1084234667 VVGLULYLDDWIIJ-SDQBBNPISA-N 498.102 4.026 10 10 JICE C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1527966657 HLRDIFKMDTZERO-CAPFRKAQSA-N 451.590 4.331 10 10 JICE CC(=O)c1ccc(CCNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1597374810 HKWRFBOFHOORTA-RGEXLXHISA-N 458.630 4.291 10 10 JICE COC(=O)[C@@H](c1ccccc1)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827217 VBKWMGIERSZGQY-VOSMRYOYSA-N 494.594 4.470 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010869 PUAPGTXHNAJDPC-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852919 AETFXFJVOUQZDK-RPLLCQBOSA-N 468.617 4.134 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1869141185 MPGTVEIUGIOYCA-DEOSSOPVSA-N 487.652 4.318 10 10 JICE CCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166745 XTJPLLGSTCGACN-UHFFFAOYSA-N 487.600 4.434 10 10 JICE CN(C)c1ccc([C@H](O)[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2008878908 JYIKZFAHRJZCHV-RPLLCQBOSA-N 460.530 4.168 10 10 JICE CN1CCc2cc([C@@H](O)[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2058200284 VIUYVGUEXADLGC-LEAFIULHSA-N 472.541 4.094 10 10 JICE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNCc2cc(Cl)cc(Br)c2O)O1 2181158818 NFBDSIZQXLPMJA-WFASDCNBSA-N 463.800 4.312 10 10 JICE CCOc1ccc(Br)cc1C=C1C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 2294216902 NYRHVFLVOBPMHD-UHFFFAOYSA-N 459.365 4.296 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 2297347335 NINWHGRBYJVYKT-UHFFFAOYSA-N 477.546 4.132 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857563 ODEOSOMWGYBXJV-UHFFFAOYSA-N 457.577 4.398 10 10 JICE COCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33431949 CZOXFUOYXSLYCI-MIRGDFRESA-N 455.557 4.162 10 10 JICE Cc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)s1 39793662 AMABYAJWTIZYPV-BOPFTXTBSA-N 468.585 4.270 10 10 JICE CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1 58865400 FHYAGCZQOPLBSJ-NTWBUQQASA-N 463.606 4.385 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cccc(OC(F)(F)F)c1 205949258 VEVOWUDWBCXQHL-XDHOZWIPSA-N 451.376 4.376 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270841 XNKKYQHZSZBIMN-KEBDBYFISA-N 494.573 4.311 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(C3CCOCC3)cc2N1 1616059113 SKQUEMHRNUNNOQ-FGZHOGPDSA-N 466.578 4.241 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1O 1620354217 ZBRMBMMONWPQPR-HKUYNNGSSA-N 472.866 4.424 10 10 JICE COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860598068 QRSFYERXPDTJCB-OUKQBFOZSA-N 494.547 4.361 10 10 JICE O=C(CCNCc1ccc(Br)cc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860715021 JJQTXSBXTFWGKS-UHFFFAOYSA-N 481.321 4.482 10 10 JICE CCCC[C@@H](NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156354 BBHOETXPDSDOHN-VMMYIZNOSA-N 479.621 4.131 10 10 JICE CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C(=O)OC2CCCCC2)c1C 1865876391 IGBYRRSKFRUCPQ-UHFFFAOYSA-N 463.508 4.092 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)CCO)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867998263 UJUTYCOQYIXVPK-UHFFFAOYSA-N 475.637 4.205 10 10 JICE CC(C)[C@@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868143181 QFYIHWKJFQFQEW-JOCHJYFZSA-N 472.516 4.486 10 10 JICE CCN(CC)C(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871085784 KXSKHPAHIWVVCY-UHFFFAOYSA-N 491.636 4.013 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873164414 AOYSVJZVPTUGMN-UHFFFAOYSA-N 460.622 4.216 10 10 JICE CC[C@H](C)N1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167601 OWZFQSSBWSJMIS-FQEVSTJZSA-N 462.638 4.438 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4cccs4)cc3)CC2)cc1 1874749094 CDBDIBZCQVPTRK-UHFFFAOYSA-N 463.603 4.333 10 10 JICE Cc1ccc([C@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)c(O)c1 2079047656 NMUGCJFSIZZUMN-ZDUSSCGKSA-N 451.230 4.492 10 10 JICE CC(C)(C)OC(=O)c1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1I 2079186159 MHXANULRWWRDRA-UHFFFAOYSA-N 486.203 4.355 10 10 JICE CN(C)c1ccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1 2084885381 FZQIZCHQOHMASD-UHFFFAOYSA-N 450.624 4.040 10 10 JICE O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2294095126 KKQKQYFBKJTKCB-UHFFFAOYSA-N 454.797 4.104 10 10 JICE N=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296052902 XAARHJAFZUPMEE-UHFFFAOYSA-N 467.938 4.232 10 10 JICE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297295826 CAIBDSCUFVMHPZ-UHFFFAOYSA-N 465.306 4.492 10 10 JICE O=C1C(=Cc2cccc(Br)c2)NC(=S)N1CNc1ccc(Br)cc1 2297321974 RDTZZNZBVGUXLD-UHFFFAOYSA-N 467.186 4.339 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 2313548856 HJWQGWMFBDPDHY-UHFFFAOYSA-N 467.821 4.183 10 10 JICE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314741220 WKCVUNYJGGIVCA-OAHLLOKOSA-N 457.573 4.427 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14461597 HFRQFDIZLRLUKQ-ZEVJAHDQSA-N 467.635 4.380 10 10 JICE Cc1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)cc1 27531755 MAYOCCAKHAMZLB-XSFVSMFZSA-N 474.560 4.209 10 10 JICE CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O 33915827 ORYZILOQQISOSS-XQNSMLJCSA-N 493.560 4.275 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413144 PXOMAVWGKHWXJD-XMMPIXPASA-N 486.959 4.313 10 10 JICE O=C(NCc1ccncc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586624949 JVUVCKRJLDUKOM-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COc1ccc2[nH]c(CCNC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)cc2c1 606618881 GJQHVQHMTSFAIY-UYRXBGFRSA-N 471.629 4.188 10 10 JICE C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N2CCOCC2)cc1 726707879 GRBBHZGMKWAXQS-WIYYLYMNSA-N 479.556 4.363 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CC(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 1858074904 WTOMKOUZRGLJCH-NDEPHWFRSA-N 457.618 4.464 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3ccc(=O)n(Cc4ccccc4)c3)cc2)c1 1860874245 IIDQNMBFUCRMRZ-UHFFFAOYSA-N 480.568 4.145 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010872 PWNIHFORWGCKJO-FQEVSTJZSA-N 482.968 4.109 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864017268 IYIPFPSLDXLCBH-JOCHJYFZSA-N 476.577 4.237 10 10 JICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865029175 HSVNARPPXNWVMC-RENKFEOJSA-N 494.636 4.381 10 10 JICE O=C(NC1(C(=O)O)CC(Cc2ccc(O)c(O)c2)C1)OCC1c2ccccc2-c2ccccc21 1952510735 SWTBPLCDNSEYNE-UHFFFAOYSA-N 459.498 4.412 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c1 2294204783 ALWRWBFFXZSIFJ-UHFFFAOYSA-N 477.498 4.393 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=S 2314767443 GUNXDDIMKJKWAF-SFHVURJKSA-N 452.557 4.213 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641133 WVTOOCVUEZRZTL-YZZKKUAISA-N 450.535 4.011 10 10 JICE Cc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2cc(O)ccc2O)CS4)cc1 20485305 IMBSLNFMDSNLDB-UHFFFAOYSA-N 478.555 4.096 10 10 JICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 33469401 APAKPUYNKIXPNV-CPNJWEJPSA-N 458.653 4.286 10 10 JICE COCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33511151 XJNQQBPUNOAKPW-UYRXBGFRSA-N 486.663 4.231 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCC[C@@H](C)C2)SC1=S 39989683 NJLDNEYOKAQEQA-VUFYJBQKSA-N 458.653 4.286 10 10 JICE CCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 228959352 NZOSLJZTDWCHRR-NLTVTKDGSA-N 456.637 4.096 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526332121 ADOAMRFOLOLIIC-DEOSSOPVSA-N 476.485 4.131 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1524066462 HBUAUBOYOXADJW-WMZHIEFXSA-N 455.505 4.337 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865030637 NKTLEGICHQKLDZ-YVHKJVDXSA-N 482.625 4.102 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc3cc(Cl)ccc3oc2=O)N2CCCCC2)cc1 1866289304 FKRAWNXRDUROBN-QFIPXVFZSA-N 453.970 4.469 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)cc4F)n(-c4ccccc4)n3)CC2)cc1 1869970229 GAOARFHTEXHNTQ-UHFFFAOYSA-N 490.514 4.133 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 1874745828 MXJPSFPEBDYPIH-UHFFFAOYSA-N 489.528 4.218 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CCOc4ccccc4)cc3)CC2)cc1 1874752780 FJQOEFZONDPAEA-UHFFFAOYSA-N 487.600 4.498 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2078992174 KNJYRZPVGINMTP-KRWDZBQOSA-N 452.292 4.165 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314827428 DTKDSGAHCQXLJT-UHFFFAOYSA-N 457.533 4.224 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 2314831949 WGZZEROQSLPPLF-UHFFFAOYSA-N 472.588 4.338 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1C 11857955 XUSGKCUATPOASE-UHFFFAOYSA-N 473.576 4.266 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468670 HRULZHZPFVIYOY-JXQFQVJHSA-N 456.564 4.134 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cc4F)c3N)CC2)cc1 40727877 DNKUFAIVPPMIDT-UHFFFAOYSA-N 473.350 4.039 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(OC)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 54362131 HAFNPOAVMMZMAE-JOCHJYFZSA-N 484.618 4.046 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 1084421704 YRMVBKBXZWCHCU-WOJGMQOQSA-N 481.505 4.312 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)c2)CC1 1269318303 KWRAZNQSKALGIM-UHFFFAOYSA-N 457.534 4.251 10 10 JICE CC(=O)c1cc(F)cc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c1O 1459966680 RSCYILGILZEXHS-UHFFFAOYSA-N 454.336 4.278 10 10 JICE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1F 1859478392 UUOZMIRDUHDQMT-UHFFFAOYSA-N 458.290 4.421 10 10 JICE C[C@H](Oc1ccc(Cl)cc1Cl)c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 1860793710 BUCAWGVTYNXSRU-XACIZNRCSA-N 461.374 4.212 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c3)CC2)cc1 1861866042 HZYZSCZOAQWBLU-UHFFFAOYSA-N 472.372 4.174 10 10 JICE COc1ccc(Cl)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866535154 DIBXGVLBWBSVJX-UHFFFAOYSA-N 458.857 4.218 10 10 JICE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1869369849 SQNVDSRXVXZBQY-UHFFFAOYSA-N 489.668 4.042 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422227 MFFMFYWNMDRUST-UHFFFAOYSA-N 470.573 4.039 10 10 JICE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873548803 KXJWZNPNHSEVFL-UHFFFAOYSA-N 478.641 4.439 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@]1(CN)CCCN(Cc2ccccc2)C1 2194863721 NMDXKNSYERYXGG-MUUNZHRXSA-N 464.654 4.457 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2293347075 HVHXDBGKQPDZLD-UHFFFAOYSA-N 464.547 4.409 10 10 JICE O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)SC1=Cc1cc(Br)ccc1O 2313830422 LOFRQLFRJVOSGQ-UHFFFAOYSA-N 476.371 4.082 10 10 JICE Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1cccc(Br)c1 8761515 NRXURTRINXKWQN-UHFFFAOYSA-N 481.306 4.358 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526466443 OLKPMWLZPOXRRT-XMMPIXPASA-N 491.496 4.349 10 10 JICE C[C@H]1CN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2F)C[C@H](C)O1 727307187 KHLLLASAIYXRPA-SFTDATJTSA-N 496.627 4.020 10 10 JICE CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858589427 PZODDEMNCCHQHO-LLMHMKPQSA-N 450.763 4.119 10 10 JICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864014091 NFYXLVCOQWKBCI-QHCPKHFHSA-N 484.556 4.220 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1 1865034829 FTBVIVHFHFIZEI-YCAUGHHRSA-N 494.636 4.389 10 10 JICE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675169 RPKQIYDDILCNOO-HZHRSRAPSA-N 463.578 4.443 10 10 JICE CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C(=O)OCCc2ccccc2)c1C 1865876431 KQZPIERHSRAXEF-UHFFFAOYSA-N 485.514 4.002 10 10 JICE CCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165627 SJFWVOSJDIJDPH-UHFFFAOYSA-N 471.557 4.160 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873169844 YUAGGJIUHATGGM-UHFFFAOYSA-N 488.607 4.445 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873170918 WQQUJXDBNBBMSM-UHFFFAOYSA-N 468.601 4.058 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2296547585 GLDCVFIIBBZXEC-QGZVFWFLSA-N 486.663 4.010 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N21 2297345711 UQMBIDNZANDZKQ-UHFFFAOYSA-N 490.010 4.067 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccc3c(c2)OCO3)cc1 2313682665 IEXWAIKMZNNEHX-UHFFFAOYSA-N 471.513 4.247 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S 2314831993 XFVGXGSEWCTNPZ-UHFFFAOYSA-N 466.600 4.349 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 1175535 JRPXZVXATHVNCB-XDHOZWIPSA-N 455.923 4.362 10 10 JICE COc1ccc(N2CCN(C(=O)Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)CC2)cc1 25062962 IDQOXPMSJRXYLC-UHFFFAOYSA-N 488.613 4.099 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 33897708 RWJWLGVCNJVKOU-UUYOSTAYSA-N 472.541 4.278 10 10 JICE Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 40326652 XSWQRLJBWVCIJQ-OAQYLSRUSA-N 469.632 4.014 10 10 JICE COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 40940730 QHLJHHWKSWTYTA-MHWRWJLKSA-N 463.378 4.312 10 10 JICE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=N)N12 104373038 OCVQJVRXKHEICF-JJJWLNEWSA-N 454.533 4.465 10 10 JICE CCOC(=O)c1c(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)n(CC)c1C 108433388 OLLUOWMGZGHYMN-BUHFOSPRSA-N 453.583 4.062 10 10 JICE O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 170552775 SYZQBMHEZYAAIW-UHFFFAOYSA-N 475.551 4.407 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C)c1 207314830 MTAGBSOVTKYUBK-LDADJPATSA-N 498.561 4.423 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 208270962 MDIBFXHMMOGOTB-KGENOOAVSA-N 480.659 4.467 10 10 JICE CCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@H](C)c1cc2ccccc2o1 742939138 ANYGGLVLZSWDIE-HXUWFJFHSA-N 450.583 4.356 10 10 JICE CC(=O)N[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(Br)c1 1149856747 CEDNOIPDUYJYNO-OAQYLSRUSA-N 457.324 4.154 10 10 JICE CCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042207 FYRHJOWTESIGSM-QFIPXVFZSA-N 488.426 4.095 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864009977 HJXGDRFXOGZBJI-KSFYIVLOSA-N 476.577 4.154 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)N2CCCCC2)cc1 1866532319 UUORLAOKQYTOOS-HSZRJFAPSA-N 497.437 4.314 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3)ncnc21 1875202254 MGISDHPDIRJQEQ-UHFFFAOYSA-N 470.577 4.034 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2196637777 DKEDYOCUDZBORZ-QGZVFWFLSA-N 472.630 4.255 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)N=C(c2cccc(Br)c2)N1c1nccs1 2296323479 FMEGEGTYMBLUOR-UHFFFAOYSA-N 454.305 4.469 10 10 JICE O=C1N=C(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)SC1=Cc1cccs1 2297448964 KXKOYBWJPGQWAQ-UHFFFAOYSA-N 452.388 4.483 10 10 JICE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1C(=O)c1ccccc1 2297578803 GDLYURZCHNACFD-UHFFFAOYSA-N 451.310 4.333 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c(OC)c1 2313541648 SCTVFVKBLIZRKF-UHFFFAOYSA-N 466.540 4.279 10 10 JICE Cc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)cc1Cl 2313617603 BJZUENQZUQZBON-UHFFFAOYSA-N 486.018 4.061 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1 2314817709 YKNWNVHVDYEBFH-UHFFFAOYSA-N 484.990 4.269 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(F)cc1 2314827450 FEXMWTJUKSDNBD-UHFFFAOYSA-N 451.342 4.428 10 10 JICE O=C(CCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 2314831567 NPHSGLXMRJREIR-UHFFFAOYSA-N 465.556 4.486 10 10 JICE CCCCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945445 WQQOMYPZOSKFHX-UHFFFAOYSA-N 474.604 4.441 10 10 JICE CCC[C@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330125155 HZPRPAXQLDWEEU-DEOSSOPVSA-N 470.013 4.386 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(C)c(C)c3)c3ccc4c(c3)OCO4)CC2)cc1 17052566 NAJOVABORZPBBQ-AREMUKBSSA-N 487.600 4.334 10 10 JICE COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)cc1 20071418 UQCGEOSXXJDKNG-BWKNWUBXSA-N 460.486 4.438 10 10 JICE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(C)cc2O)cc1 20898613 YJODJWKLVXGHHU-DEOSSOPVSA-N 494.551 4.232 10 10 JICE O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 34981593 BQWIKKLWBZUZPJ-INQHFZPMSA-N 469.609 4.135 10 10 JICE CN(C)c1ccc(CNC(=O)CN(C)c2nn3c(NC(C)(C)C)c(-c4ccccc4)nc3s2)cc1 64704473 SYQNSCGYDNYOHS-UHFFFAOYSA-N 491.665 4.487 10 10 JICE C[C@@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586717798 FSNRLKVSMBXZPD-IAGOWNOFSA-N 483.524 4.355 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CC)C1 1705590690 TVAQIUWPQNQUNC-DEOSSOPVSA-N 454.622 4.157 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4C)c(C)s2)cc1 1859574169 TVNVTBNOTGOFEN-UHFFFAOYSA-N 457.577 4.227 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864010020 IAVKTIBTWYDFKE-JOCHJYFZSA-N 476.577 4.155 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033371 YGQPPPZTORRHFO-QFIPXVFZSA-N 476.577 4.189 10 10 JICE CSCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867059863 XTSPEGUNBHZLOU-GPXNEJASSA-N 498.604 4.442 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccccc3)C3CC3)C(C)C)CC2)cc1 1868684628 WCBPZKKQBOIYRG-VPUSJEBWSA-N 463.622 4.069 10 10 JICE COc1ccc(N2CCN(c3cc(N4CC[C@@H](c5ccco5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869370664 VDYVFUQBNLMPFL-JOCHJYFZSA-N 482.588 4.461 10 10 JICE COC(=O)c1cc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc(C(=O)OC)c1 1872743573 BMNRCEGTXWZDBA-UHFFFAOYSA-N 472.501 4.121 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873165900 VWDGAZYCIPJYEY-UHFFFAOYSA-N 472.589 4.174 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC)ncnc21 1875208489 MFPPWTQPTMLYIE-UHFFFAOYSA-N 450.587 4.024 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H](C)N1C(=O)OC(C)(C)C 2106885636 METNLLZDDMHHTO-IRXDYDNUSA-N 460.619 4.396 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OC(=O)c2cccs2)cc1 2297365165 FQLHAPIESOCADM-UHFFFAOYSA-N 469.316 4.191 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 2314488972 ZYHIXVZDRRRTFD-UHFFFAOYSA-N 486.615 4.327 10 10 JICE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 2314837498 SZJGFHZZWGIJQH-NSHDSACASA-N 478.979 4.291 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1 8610767 AFZQWSGNRVPXIS-UHFFFAOYSA-N 475.618 4.038 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)cc21 11857775 FHOYWTBNNBIMBR-UHFFFAOYSA-N 469.997 4.461 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 15037944 HCLAAIVHVJZSGI-YBEGLDIGSA-N 479.377 4.090 10 10 JICE O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 22741291 REFKVHSIRLCZNS-FGAOFWEESA-N 483.907 4.376 10 10 JICE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 33446989 KWLZOFCDIHTAIK-JKGLIZDUSA-N 465.531 4.247 10 10 JICE O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980292 JKGGHSIWJUDHOR-DAFODLJHSA-N 468.859 4.254 10 10 JICE O=C(O)CNC(=O)CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210724805 ZFDAQUDFAFQOSI-DEDYPNTBSA-N 464.568 4.175 10 10 JICE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1N=Nc1ccc(S(=O)(=O)O)cc1 575731191 GXAINUJWJLZRPI-SFHVURJKSA-N 455.521 4.240 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1O 1473527646 IGQBIOFVNLXFME-IFMALSPDSA-N 450.551 4.018 10 10 JICE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)C1 1637124550 LNEKIBYKVXNROK-FBBABVLZSA-N 458.400 4.233 10 10 JICE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1O 1659216939 RRYSLSZFGYVSLH-TYPHKJRUSA-N 450.551 4.161 10 10 JICE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)c(F)c1 1705622984 BVYYNNPUGXQBBJ-GOSISDBHSA-N 481.641 4.471 10 10 JICE O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)ccc1O 1860085363 GRLTYWJVAIWKFF-LHHJGKSTSA-N 454.298 4.398 10 10 JICE O=C(C[C@H](CNC(=O)C(F)(F)F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865983392 NPJBYWCCBYYLJJ-MRXNPFEDSA-N 480.442 4.253 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869151555 FKHSEXRUHAOBDV-VXKWHMMOSA-N 473.621 4.401 10 10 JICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)OC1CCCCC1 1871023077 XXUVQXNKBSGUAG-UHFFFAOYSA-N 491.588 4.451 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1Cc1ccc(O)c(O)c1 1952823011 GHQJHCLAUXWJTP-FYYLOGMGSA-N 459.498 4.365 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NCc1cc(Br)ccc1O)CO2 2160182132 MJKHBEUTYKTOFQ-FQEVSTJZSA-N 475.383 4.205 10 10 JICE COc1ccc(CCN2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2297467615 FFIVWVUTDKFJIU-UHFFFAOYSA-N 475.389 4.224 10 10 JICE CC(C)c1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2297577680 OYAIMBIPOXVVHS-UHFFFAOYSA-N 470.572 4.113 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2314650404 DZYOJUQGACPLEC-CYBMUJFWSA-N 496.906 4.027 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn([C@@H](C(=O)O)c3ccccc3)c3ccccc23)SC1=S 2326954736 LSNAKNGTSCTVBD-OAQYLSRUSA-N 480.567 4.381 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(Cl)c(Cl)c4)n(C)n3)CC2)cc1 2331398717 DXTJIMONVAASQP-UHFFFAOYSA-N 487.391 4.109 10 10 JICE Nc1ccc(CCC[S@@](=O)c2cc(I)ccc2Br)cc1 2363647231 DTLDECJDKXXXSA-HXUWFJFHSA-N 464.166 4.376 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 2261965 WNZDDVZRNRDIDD-QURGRASLSA-N 495.626 4.442 10 10 JICE COc1cc(/C=C/C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC 3649731 NZSURHRVEXHEGO-VMPITWQZSA-N 463.534 4.058 10 10 JICE CCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 40939961 NLLFMDWXVXLRCH-ZCXUNETKSA-N 471.991 4.403 10 10 JICE Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 59087183 WEYANAYUNSIKQI-HAHDFKILSA-N 474.517 4.026 10 10 JICE COc1cc(OC)c(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br 59135804 JRPPUYGLKBSBAP-XFFZJAGNSA-N 465.300 4.277 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526383010 VWYRHZPKNNTLJB-QHCPKHFHSA-N 479.485 4.189 10 10 JICE COc1ccc(C(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)cc1 913099010 DXSSVHCQTYZMMN-RUZDIDTESA-N 497.555 4.201 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c1 1084330849 VZQLNRIITDIZJN-AQTBWJFISA-N 464.861 4.395 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cccc(C(C)=O)c1 1857998074 UJMSLRMENHKOHK-UHFFFAOYSA-N 457.483 4.313 10 10 JICE CCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861927780 BGDOBMGEWWJUOV-OAQYLSRUSA-N 464.393 4.249 10 10 JICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012477 AJFZNTDBQRSMMV-NYHFZMIOSA-N 494.567 4.044 10 10 JICE CCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868868156 KOKBSFQNSDRLHA-RPBOFIJWSA-N 484.040 4.476 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)OC(C)(C)C 2106876835 GRNSEQFHHBVENH-JXFKEZNVSA-N 460.619 4.302 10 10 JICE CC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 2297456480 VUDKLCYYRDLMAX-UHFFFAOYSA-N 472.888 4.256 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400478 NHOUIUCCNWWMLS-IRXDYDNUSA-N 486.663 4.090 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4ccc(F)cc4)CC3)cccc21 2321876005 DDXMWIYAQUFYLP-UHFFFAOYSA-N 482.511 4.492 10 10 JICE C[C@H](C[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335652648 HBJVPNUXZPBYEI-YLJYHZDGSA-N 462.635 4.095 10 10 JICE COc1cc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)ccc1OCCC(=O)O 16912304 XQHSFFHLMXIUFM-GZTJUZNOSA-N 477.336 4.394 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=S)N=C2O)cc1OC 33321816 OFVDNHIFQOPSDX-ZROIWOOFSA-N 461.337 4.446 10 10 JICE CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N(C)C2=S)cc1 33335200 PPCZHLWQTCNRNV-ZHZULCJRSA-N 460.511 4.381 10 10 JICE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCCC(=O)O)c(OCC)c3)S2)cc1 210469727 LKUJIQLIILEJKU-ZHZULCJRSA-N 484.530 4.198 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1nccs1 210758389 GPKLMYHQHLNHPM-NTCAYCPXSA-N 462.578 4.452 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 1084314075 ALKJGKAABOEZFL-HMAPJEAMSA-N 497.536 4.382 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705897205 IGPZFYJRBPPHCO-UHFFFAOYSA-N 498.635 4.205 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCNC(C)=O)C2=O)ccc1OCc1ccccc1 1858594179 OMSOYZJLCQIWFO-KGENOOAVSA-N 456.589 4.002 10 10 JICE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(O)c(O)c1O 1952433642 DTXRTQAHXSNWPN-NRFANRHFSA-N 477.513 4.463 10 10 JICE CN1CCCc2cc([C@H](N)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106863623 JMVRHEYCRURENL-IGKIAQTJSA-N 450.627 4.238 10 10 JICE O=C(N[C@@H]1C(F)(F)C12CC(NCc1cc(Br)cc(F)c1O)C2)OCc1ccccc1 2207135270 NDOWVRNZWYBPOY-VDUSKEEQSA-N 485.300 4.476 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCC(=O)OC 2294034549 CGTXICOIYCRNFW-UHFFFAOYSA-N 473.323 4.206 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCC(C)C)nc12 2296732311 ULIQBGZLKPDAPM-UHFFFAOYSA-N 454.577 4.065 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313548405 VIAXQKFRJCOQBA-UHFFFAOYSA-N 470.485 4.405 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3C=Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1 2313626204 GOJDSTQWDOJIIA-WXFUMESZSA-N 463.489 4.031 10 10 JICE CCC(=CC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329524842 LMYPRBHPJGFGGH-MUUNZHRXSA-N 479.621 4.131 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139656 FEXHNNCEDLURJC-UHFFFAOYSA-N 490.482 4.076 10 10 JICE COc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)c(C(=O)O)c1OC 16906368 VVNTTWXLTAAAGC-NTEUORMPSA-N 463.309 4.247 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 20154863 LYXMBOMFVPCZQN-GQFJHEMJSA-N 484.559 4.473 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 33366743 RJWWCSPLGJHESL-UFTLPMNOSA-N 468.556 4.267 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 213211165 AZUSMNHCVSEZBF-VJOZSWGJSA-N 493.610 4.484 10 10 JICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 526565565 DDISOUFBQNYXOP-JOCHJYFZSA-N 481.526 4.410 10 10 JICE CC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 1519758914 VANIYFVKIOVMLI-CPNJWEJPSA-N 457.552 4.038 10 10 JICE CCOc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1858074805 RQAYDZWMFTZSKQ-HSZRJFAPSA-N 459.656 4.274 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679613 WGQFOQUXAPGCJF-FYJGNVAPSA-N 471.469 4.205 10 10 JICE CC(=O)Nc1c(Br)cc(C(=O)Nc2cccc(N(C)C)c2)cc1Br 1866063681 GIRUUFQOSOZAKL-UHFFFAOYSA-N 455.150 4.488 10 10 JICE CSCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867059862 XTSPEGUNBHZLOU-FIXSFTCYSA-N 498.604 4.442 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868842155 KTOONJCUEVIBMR-IZZNHLLZSA-N 465.638 4.233 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873170254 SINMRXBVBXDKPB-DEOSSOPVSA-N 479.621 4.149 10 10 JICE O=C(CCCCCn1c(O)nc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016950 IVIACYYHSWDJMS-UHFFFAOYSA-N 481.508 4.077 10 10 JICE CC(C)CCN(C(=O)C=Cc1cccc2cccnc12)c1c(O)nc(=O)n(Cc2ccccc2)c1N 2052146397 LOFNVUUMGVIIPJ-UHFFFAOYSA-N 483.572 4.220 10 10 JICE Cc1ccc([C@H](n2nc(C3CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2078998383 FOCQAWGCUFFPGS-INIZCTEOSA-N 453.324 4.114 10 10 JICE CN1CCCc2cc(CNC[C@H]3CN(C(=O)OC(C)(C)C)CCN3Cc3ccccc3)ccc21 2205548072 LOMTWOGQORQQBD-VWLOTQADSA-N 464.654 4.280 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl 2297296590 JBWXSRGHVMUZQI-UHFFFAOYSA-N 457.067 4.126 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(OC)cc2OC)C1=O)C(=O)O 2314934118 YAKJCFSHCACTML-MRXNPFEDSA-N 459.545 4.352 10 10 JICE COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 15044807 WGDUCVVJVGBEOR-MNDPQUGUSA-N 478.636 4.218 10 10 JICE COc1cc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)ccc1OCCC(=O)O 16912307 NKJGLYFAYQFMGV-GZTJUZNOSA-N 477.336 4.394 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1OC 20236508 ZUMCZCNRHQKWDK-KHZXBOJISA-N 477.517 4.392 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H]3CCCO3)nc12 33371222 MVAUEOTUEDXOHI-AMRJIULGSA-N 484.647 4.128 10 10 JICE O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1ccncc1 90624523 JZQRWCOJUYPSRJ-UHFFFAOYSA-N 457.511 4.366 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270585 OVOVOOJOEIZEBI-RGVLZGJSSA-N 476.583 4.172 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC 1084146455 KIFCCONJBUCIBU-DHDCSXOGSA-N 477.286 4.052 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705897823 UVHFCBXCHQZPCJ-BJKOFHAPSA-N 490.652 4.295 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)CC1 1705953791 FCVKERIONOHICM-UHFFFAOYSA-N 474.531 4.362 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCSc2nccs2)[C@@H](C)C1 1749852904 WQHUXOMXOJICAH-AWEZNQCLSA-N 495.049 4.434 10 10 JICE CCOC(=O)[C@H](CC)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858848486 GQHOSHCOVNWMLA-FQEVSTJZSA-N 473.485 4.222 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)c2)c1 1860906227 VENUSZSOEJRFPA-UHFFFAOYSA-N 481.600 4.444 10 10 JICE CC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914606 YNQKMGJKTVKUSY-JOCHJYFZSA-N 493.519 4.193 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316408 GNIBQBQUOABQCQ-LEAFIULHSA-N 480.653 4.003 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2198094211 YDPKQWCOWHXDPB-MRDQGFSESA-N 472.630 4.446 10 10 JICE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1 2296537406 JVTUADAEZJLDPG-KRWDZBQOSA-N 455.557 4.295 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 2314764977 QONAYZQRNXOKCS-UHFFFAOYSA-N 457.964 4.013 10 10 JICE CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 9731038 PBLAGNONFWBAKZ-HRXHUYTNSA-N 464.547 4.491 10 10 JICE Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)c(C)c1 11857581 CGGXLAKCJYPWIH-HNNXBMFYSA-N 457.577 4.280 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 16922632 QMRBUUAQMJPHNA-WJDWOHSUSA-N 478.498 4.216 10 10 JICE Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 32530649 NZCAGOVWGYXECB-UHFFFAOYSA-N 450.494 4.341 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3nc4ccccc4s3)C2=O)cc1 206726613 JKIRHMSPLQJIJF-XMHGGMMESA-N 483.640 4.255 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCSCC3)cc1)O[C@@H](C)C2 730528269 FFQSXZOKXZJIPY-HYVJGQCMSA-N 452.620 4.382 10 10 JICE CCC[C@@H](NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102953 GIWYGMPDVRUNEB-HSZRJFAPSA-N 491.636 4.116 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864014473 VWCBHXGXIHKLTR-QHCPKHFHSA-N 490.604 4.222 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027853 MKUQLUGGQKWFIP-VWLOTQADSA-N 496.567 4.254 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029666 SKFMNHCZMKSGHF-NRFANRHFSA-N 494.979 4.206 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N2CCCCC2)cc1 1865977542 DRAUMAAZDNSRHZ-FYYLOGMGSA-N 458.647 4.043 10 10 JICE CC[C@](C)(NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867238915 FSMCVKJANLRTBY-ZOKDDAQRSA-N 494.547 4.446 10 10 JICE CCCCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665793 LCOADTMONCWJGR-UHFFFAOYSA-N 496.696 4.234 10 10 JICE COC(=O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872871311 SPBZGCHCYONBIS-UHFFFAOYSA-N 460.530 4.023 10 10 JICE CCOCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166361 NEOGYJUBYLTLIF-UHFFFAOYSA-N 487.600 4.399 10 10 JICE CCCN1C(=O)C(=CN=c2[nH]c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)C(=O)NC1=S 2040475843 QOFVTLKNODSRML-UHFFFAOYSA-N 476.627 4.465 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079879346 BMDVAXBKKLAUFJ-AWEZNQCLSA-N 462.234 4.342 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)sc2c1 2314563120 DHYMCKYWXXYJDM-UHFFFAOYSA-N 455.586 4.453 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCCc1ccccc1 2314766814 CDLMWBYPWCZQCT-UHFFFAOYSA-N 457.573 4.383 10 10 JICE COc1ccc(NC(=O)c2ccc(C=CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 2324064145 DLLKMGHNORMOLM-UHFFFAOYSA-N 471.557 4.318 10 10 JICE COc1ccc(N2CCN(C(=O)CCN3C(=O)C(=Cc4ccccc4)N=C3c3ccccc3)CC2)cc1 2331397920 HQFUBYFDBRDUSF-UHFFFAOYSA-N 494.595 4.064 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468549 DJVMZUNNPPWANT-DFIYOIEZSA-N 470.591 4.478 10 10 JICE CC1CCN(Cc2nnc(-c3cn(CC(=O)NCc4ccc(N(C)C)cc4)c4ccccc34)o2)CC1 33129400 CETPAXIOYYJJFA-UHFFFAOYSA-N 486.620 4.306 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 33333879 XKZQZTHQIMIGLS-QZQOTICOSA-N 481.599 4.050 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCC3)nc12 33473034 JOPPCPZVSPMJAT-CPNJWEJPSA-N 480.590 4.144 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3c(F)cccc3Cl)C2=O)c1 62050287 NXUODFAVSVCVJL-LFIBNONCSA-N 450.944 4.119 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1cccc(OC)c1O)N2 65298310 RJMUHHCYXBVSQI-QFIPXVFZSA-N 451.567 4.490 10 10 JICE biogenic CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NCCN/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C 101350655 LRXWUSLJSBSVCJ-WFOJNGAISA-N 484.604 4.012 10 10 JICE COCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S 102620476 PGEOLDUYZFUHJS-LDADJPATSA-N 463.964 4.415 10 10 JICE COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc(I)c1O 105927247 ZHINACFRTYJZSA-MKMNVTDBSA-N 468.678 4.465 10 10 JICE O=C(Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586704033 LMEHHPJNEUPYPY-IBGZPJMESA-N 469.497 4.015 10 10 JICE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1859466415 YCQGKDGLOIJMCS-GOSISDBHSA-N 452.510 4.324 10 10 JICE CCOC(=O)c1c(NC(=O)COc2ccc(N)cc2)sc(C(=O)Nc2ccccc2)c1C 1860083288 KIQTVLJUNFGKOH-UHFFFAOYSA-N 453.520 4.085 10 10 JICE Cc1ccc(OCCCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826577 IGRSILNFKOFTJY-DQRAZIAOSA-N 496.610 4.247 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008240 GNHWIIALKPDNAS-NSYGIPOTSA-N 496.567 4.223 10 10 JICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864009815 FIEDLBZJYJMXGV-OYLFLEFRSA-N 484.556 4.354 10 10 JICE C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865927130 JEJHBPRCKVERRA-YMVVMYQSSA-N 462.638 4.006 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867971628 IQZGGOFPSCYMOK-UHFFFAOYSA-N 472.637 4.009 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1 2124541805 WNZHFYJUSULARO-XMMPIXPASA-N 457.575 4.379 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 2296726982 BYRPFTUIAQUCMW-UHFFFAOYSA-N 457.964 4.013 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCCc1ccccc1 2297360839 AELWLHGMPAOPQI-UHFFFAOYSA-N 492.553 4.370 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)O)c4)o3)C(=O)NC2=S)cc1 2297457920 MZTLEFIMSJQMKL-UHFFFAOYSA-N 460.511 4.347 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1 2297462709 ANGXLEYHBZBVRU-UHFFFAOYSA-N 454.461 4.448 10 10 JICE COC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331594902 QDWZONUESSXOBQ-UHFFFAOYSA-N 484.599 4.348 10 10 JICE NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 1902660 HHEHNNXWYYJUBB-GXDHUFHOSA-N 477.658 4.017 10 10 JICE CN(C)c1ccc(CNC(=O)c2ccc(CN3C(=O)CCn4nc(-c5ccccc5)cc43)cc2)cc1 9276738 MEQSGHFYQXYGOA-UHFFFAOYSA-N 479.584 4.483 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469299 LTPKMFRRZGBUPH-RLSLOFABSA-N 450.535 4.213 10 10 JICE CCOc1cc2[nH]c(=S)n(CCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC 20644595 ROEPCUBKZTZITB-UHFFFAOYSA-N 498.649 4.077 10 10 JICE COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 33424596 CZYYOCLIYYQCCO-STZFKDTASA-N 494.931 4.276 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 33517596 XKPLAFBOUFFYDU-PWDRBQJJSA-N 450.589 4.397 10 10 JICE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 33682072 HOCAMFKSGRGSJE-XMHGGMMESA-N 462.600 4.005 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S 40938917 QMCSYBZDIGSVJY-RVDMUPIBSA-N 458.399 4.392 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 96557646 ACDPBGFDEXCCGW-ZROIWOOFSA-N 465.557 4.305 10 10 JICE Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cc1 257185141 JFZMVQOAUVTJPY-LSCGWGKXSA-N 474.649 4.032 10 10 JICE CC[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862093987 XLENZQYJXFEKOJ-XMMPIXPASA-N 497.599 4.096 10 10 JICE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053528581 MMFMWKWFLWLFGI-AWEZNQCLSA-N 494.572 4.271 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1 2293218376 YNFJTHRUFFSVBU-UHFFFAOYSA-N 450.834 4.273 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294235493 YFFMOYQMVIRFAU-UHFFFAOYSA-N 497.326 4.239 10 10 JICE CCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2314506827 FYAFQZUOMVIVNC-UHFFFAOYSA-N 453.545 4.025 10 10 JICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837617 UYCAHPYTWKZODY-JTQLQIEISA-N 463.924 4.182 10 10 JICE COc1cccc(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 2321937246 HMKHOJIPUXPEIW-UHFFFAOYSA-N 494.547 4.361 10 10 JICE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC 33375651 GFAFTGPZYXWHNC-ZHZULCJRSA-N 472.588 4.429 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCSCC3)nc12 33693004 NQNKOCMDFISSCK-NBVRZTHBSA-N 486.688 4.090 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526368421 SIDQSFGLKOQMFY-DEOSSOPVSA-N 462.502 4.238 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@@](=O)C(C)(C)C 1705480877 YYLBJTHQXSPSJC-HYHKQLJDSA-N 451.640 4.358 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccc(Cl)cc4)c(O)n3)CC2)cc1 1858516623 NKOGWJWSIRUNQI-UHFFFAOYSA-N 485.009 4.261 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(Cl)cc(Cl)cc3c2=O)c2nccn2C)cc1 1866079527 BRBGAPRHLZCNBH-LJQANCHMSA-N 470.360 4.154 10 10 JICE COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(Cc5ccccc5)cc4c3=O)CC2)cc1 1866467612 YPRRELXHALYVLT-UHFFFAOYSA-N 453.542 4.090 10 10 JICE CC[C@@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1868149199 RXAZEDCSWASFPI-QGZVFWFLSA-N 460.917 4.364 10 10 JICE CCN(CC)CCCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870791047 BGSASBBXBSTHMT-UHFFFAOYSA-N 464.610 4.307 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NCc1cc(Br)ccc1O)CO2 2160182135 MJKHBEUTYKTOFQ-HXUWFJFHSA-N 475.383 4.205 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 2293641250 PBLAGNONFWBAKZ-UHFFFAOYSA-N 464.547 4.491 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2294229277 FOPOSXIYFISPTP-UHFFFAOYSA-N 497.935 4.416 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296713488 DVXNOHDNNSIFOT-ZDUSSCGKSA-N 481.437 4.346 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Br 2296738368 KTEPEGCXCOPYRU-UHFFFAOYSA-N 489.391 4.386 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c1 2297329764 RSVVQLBXPWCUCS-UHFFFAOYSA-N 493.497 4.093 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(Cl)cc1OC 2313683083 RIHHJSGHNPKFAT-UHFFFAOYSA-N 461.877 4.148 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 14132671 QPFQHGYGHSMHQC-WJDWOHSUSA-N 450.834 4.273 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15039733 RODNSXRQDUJMAW-UYRXBGFRSA-N 458.561 4.030 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@H]2CC=C[C@@H]32)CC1 20706101 KRIWCRHDUFGXDZ-CEXJFXJFSA-N 452.942 4.462 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 36009033 SHCGVMKMOKTLOS-QHCPKHFHSA-N 492.613 4.222 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](NC(C)=O)CCO3)cs1 170549522 NYSREXZTLXUVMX-INIZCTEOSA-N 493.994 4.233 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526541079 JEWLFUPFWQFEJI-JOCHJYFZSA-N 455.413 4.450 10 10 JICE C[C@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)cc2NC1=O 727975535 GOWFHZSAPIUMIE-VQIMIIECSA-N 463.559 4.424 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 1860758150 CKJBWBZUDOQGRS-UHFFFAOYSA-N 470.522 4.303 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864016191 JIEQRPRLZUPTHQ-NBCNXNJRSA-N 488.588 4.371 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865031389 FUJOBVXZNCSCEL-IERDGZPVSA-N 474.561 4.077 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2ccccc2I)N2CCCCC2)cc1 1865870826 SLXVCXOFJYOOEI-NRFANRHFSA-N 477.390 4.314 10 10 JICE O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865883877 KKGLHBDHKSONLI-UHFFFAOYSA-N 470.268 4.135 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](C)c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868680534 ANVNTDZVJZLJIB-KBMIEXCESA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279565 KZEIEUCBHHLGIX-UHFFFAOYSA-N 487.583 4.020 10 10 JICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cccc(Cl)c1O 2025354158 CLEHNGOCYNKRQM-UHFFFAOYSA-N 457.999 4.333 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1O 2293189826 OCPNCADVBGOVDN-UHFFFAOYSA-N 466.334 4.267 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702597 HWJWYFDNCCGFGB-OZAHESQGSA-N 462.546 4.356 10 10 JICE CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 29930346 TVXUPOOCPKOKAM-UHFFFAOYSA-N 462.569 4.192 10 10 JICE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 33663879 RJAJWHJILWXZQH-GVZSWBRXSA-N 457.870 4.484 10 10 JICE CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)cc1 1640686907 AXUDFPYSONSRPY-UHFFFAOYSA-N 455.356 4.164 10 10 JICE COc1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Br)c4)cn3)CC2)cc1 1858419661 IEIPMXMJTYOBCJ-UHFFFAOYSA-N 467.367 4.432 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccccc4F)CC3)ccc21 1860605891 SRULMIUECWXBOF-UHFFFAOYSA-N 470.500 4.021 10 10 JICE CN(C(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)C1CCCCC1 1860827223 VGPYSKIANRGNKR-KGENOOAVSA-N 499.658 4.498 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864014639 ZJRWSPAWPJOPQZ-XPIZARPCSA-N 468.598 4.046 10 10 JICE Cc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866732005 DDWXAZYVVCRNRD-ILBGXUMGSA-N 498.579 4.016 10 10 JICE CC[C@](C)(NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868990130 RWXPJBCOLJXIFH-SIBVEZHUSA-N 472.029 4.476 10 10 JICE CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871021631 VEGVOPRSJSNTIV-UHFFFAOYSA-N 490.589 4.401 10 10 JICE O=C(COC(=O)CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)NC1CCCCCC1 2040467038 TWPNBZYJSWHZDV-UHFFFAOYSA-N 472.632 4.216 10 10 JICE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1OC 2296935012 ZPYXPXCEHYHXGE-UHFFFAOYSA-N 487.556 4.124 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297341047 KDNVCZDENVUGDT-UHFFFAOYSA-N 483.531 4.122 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2313558865 LNNNKOUOUJHXSH-UHFFFAOYSA-N 471.853 4.479 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1 2314488200 KFFUZMWDGSPLAJ-UHFFFAOYSA-N 498.611 4.278 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(C(=O)OC)cc2)SC1=S 2314769713 ULLAUSOTDAQFQI-LJQANCHMSA-N 455.557 4.369 10 10 JICE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 1277011 RBRYNZMSHHZSFF-RVZJCZPVSA-N 457.573 4.345 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 11591642 ULRWSQOXFCLEKV-VWLOTQADSA-N 481.911 4.299 10 10 JICE Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)c(Br)c1 13073955 LOERHRYBPBVMIB-XKBFBRDOSA-N 496.360 4.147 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 16455414 NVMLIRJLBXCKNV-VWLOTQADSA-N 485.462 4.485 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1C 31659108 SYEUGYIBILIERX-SANMLTNESA-N 474.517 4.269 10 10 JICE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 35109437 ZGQNRXLFNOWGCC-NPQOUYBPSA-N 457.573 4.079 10 10 JICE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 40852158 DDUMBABOPGGUDR-YPKPFQOOSA-N 462.306 4.085 10 10 JICE N=C1/C(=C/c2cccc(OC(=O)c3ccccc3F)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 89259513 WVCREWULQZECFG-WPKKWVEMSA-N 462.384 4.226 10 10 JICE CCn1c(/C=C\c2ccc(N3CCOCC3)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 96765769 SDCWPPDCENEWLL-YHYXMXQVSA-N 465.497 4.357 10 10 JICE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)C2)cc1 110611536 SXERKUGUKQFWAQ-QFIPXVFZSA-N 465.619 4.233 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)c1 526546068 OVVWAMYWTBTELU-QFIPXVFZSA-N 455.413 4.450 10 10 JICE CC(=O)N1CCN(Cc2ccccc2NCc2cc(Cl)cc(Br)c2O)CC1 1656102200 VBJAFYKAWPUQIK-UHFFFAOYSA-N 452.780 4.084 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864014449 VHANRBIRZRUFOD-QFIPXVFZSA-N 494.567 4.053 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030223 GHYCPTDEVYDHAN-QFIPXVFZSA-N 482.625 4.389 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868844930 QAYRMLJQNYFLDX-JWQCQUIFSA-N 469.601 4.064 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869281252 BPKKKAOMDOABMJ-WOJBJXKFSA-N 477.584 4.232 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871496461 AQGOYXNULZLRRC-UHFFFAOYSA-N 489.668 4.376 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COCc4ccccc4)c3)CC2)cc1 1874738139 CWTYHFXTYDBBFL-UHFFFAOYSA-N 488.584 4.212 10 10 JICE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O 2259425565 DRTYHJOTWMRRGR-HNNXBMFYSA-N 453.555 4.038 10 10 JICE CC(C)(C)OC(=O)NCCCC[C@H](NCc1cc(Cl)cc(Br)c1O)C(=O)O 2289772902 PDTWNXOXRMORRM-AWEZNQCLSA-N 465.772 4.046 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2296885181 HJIQZYMJLJJHQY-LBPRGKRZSA-N 472.327 4.383 10 10 JICE COc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 2297349806 HMRPTSAPZBMDFC-UHFFFAOYSA-N 456.545 4.044 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2297352725 PTVAZGYKLFKVSP-UHFFFAOYSA-N 450.543 4.296 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c1)C(=O)O 2314926863 UNYNBARYOIYMLG-KRWDZBQOSA-N 457.529 4.341 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935927 TVPRMGAIMRLVFR-CYBMUJFWSA-N 459.545 4.352 10 10 JICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc2NC1=O 11858027 PAHZZIQIAIEBLZ-QMMMGPOBSA-N 486.394 4.154 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccc(C)o4)c4ccccc4n3)CC2)cc1 23458073 DRCFJDOBHJSORU-UHFFFAOYSA-N 456.546 4.401 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1I 27439917 BGGJTSCMJBDASQ-UHFFFAOYSA-N 453.235 4.319 10 10 JICE CCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33459300 QAKPOAFMAZFSJO-RGEXLXHISA-N 464.616 4.269 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 39835913 BLKRLRMCQNTETI-QGOAFFKASA-N 495.582 4.170 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413057 UYZYIMOVZAXFMW-DEOSSOPVSA-N 486.959 4.313 10 10 JICE COCCN(C)c1ccc(/N=N/C2=NN(C)[C@H](/N=N/c3ccc(N(C)CCOC)cc3)N2C)cc1 111898088 LLRBOYIMKLMMRM-UCBRJSGWSA-N 481.605 4.151 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 211942431 YLJYJYIFFSORSC-QALXIQJFSA-N 474.648 4.235 10 10 JICE CC(=O)c1nn(C(C)C)c(C)c1OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 1190283010 AWEDRBNLLOKFHD-UHFFFAOYSA-N 451.523 4.415 10 10 JICE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865034648 BDUIYYRQXQXBET-JOCHJYFZSA-N 476.577 4.008 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H](N)CCCCN)sc(C)c1-c1ccc(Br)cc1 1865999679 UIWJMAYSGVSZNP-HNNXBMFYSA-N 468.417 4.058 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868861014 YJESAHWHXLTLMH-QHCPKHFHSA-N 478.420 4.207 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869064231 KMEDMVFFHAPCOX-UHFFFAOYSA-N 473.621 4.018 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cccc(OC)c4)c3)CC2)cc1 1874720538 NUNUHJUTSNLCTM-UHFFFAOYSA-N 473.573 4.351 10 10 JICE COc1ccc(C(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874739672 QJGISJHLLIZNNX-UHFFFAOYSA-N 474.557 4.318 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)nc(O)c2)C1 1952863597 WHAGRIXJHALSSJ-QRQCRPRQSA-N 460.486 4.280 10 10 JICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053494166 NHUMVKNYEYGTCO-UHFFFAOYSA-N 488.594 4.344 10 10 JICE COc1ccc([C@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(O)c1 2140779236 TYSFBOQLJJJJHN-INIZCTEOSA-N 467.607 4.250 10 10 JICE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNCc1cc(Cl)cc(Br)c1O 2194693653 CTPAGZRGTVLTRG-CQSZACIVSA-N 463.800 4.312 10 10 JICE CC(C)(C)OC(=O)N1CCc2[nH]c(=NCc3cc(Br)cc(F)c3O)sc2C1 2198520198 WRUXEQKGAAAXCJ-UHFFFAOYSA-N 458.353 4.078 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296849731 HJDIOPIPAGEURW-VQIMIIECSA-N 494.642 4.148 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352644 IUVHVPAGJBOLPX-UHFFFAOYSA-N 477.521 4.107 10 10 JICE COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558554 DOFIJQWNDOCZLZ-UHFFFAOYSA-N 469.719 4.082 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330399277 IBOUPDNARJFCTP-AREMUKBSSA-N 495.689 4.419 10 10 JICE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2362316222 DKEJHUZXMLQZGV-CQSZACIVSA-N 461.784 4.066 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15047131 NBBJAHUQMDLNMT-JPVKTXQWSA-N 454.573 4.400 10 10 JICE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 15626161 KCFSILLZRXPVHC-UHFFFAOYSA-N 487.991 4.256 10 10 JICE COc1cc(/C=C2/SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)ccc1OCc1ccccc1 35531029 RNQZJNGLDJSXQV-HYARGMPZSA-N 495.582 4.004 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 39836138 SVENJGAVLLAKSX-XMHGGMMESA-N 481.599 4.341 10 10 JICE CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)sc2c1CCCC2 101357749 QQPAHRQOBFIBGC-RVDMUPIBSA-N 473.938 4.036 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226836312 BGQRYFBYZAALOY-IECBHUPTSA-N 450.539 4.199 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526287621 UFBMBTMKUVVKTK-HSZRJFAPSA-N 489.480 4.037 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526368507 UPRPYFZZSKFCAO-QHCPKHFHSA-N 462.502 4.238 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@@H]1c1ccc(O)c(O)c1 526528034 VKAVDLCUQRFCKY-DEOSSOPVSA-N 491.496 4.349 10 10 JICE Cc1cc(C=O)c(C)n1-c1cc(I)cc(I)c1 690337156 BBKFVHGVMXCGJC-UHFFFAOYSA-N 451.045 4.116 10 10 JICE C[C@@H]1CN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 1772724916 SEHWRASYNAIICD-ZQPHCFLCSA-N 466.628 4.180 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008415 KAGZULYNACYLEV-SRDOKRBCSA-N 488.588 4.290 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864009976 HJXGDRFXOGZBJI-AOMKIAJQSA-N 476.577 4.154 10 10 JICE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1865030305 HSGKFCCBXQDTTA-QHCPKHFHSA-N 494.551 4.268 10 10 JICE CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866938526 DKOWXXDIUWHPEM-FKBYEOEOSA-N 470.500 4.238 10 10 JICE CC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696771 VUPQIHZXCXWQOP-UIOOFZCWSA-N 465.638 4.377 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873164755 QPIYSHHQFYOJDF-UHFFFAOYSA-N 477.605 4.153 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873170839 STZMYSOHFMFCHY-UHFFFAOYSA-N 482.628 4.101 10 10 JICE O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1Cc1ccc(O)c(O)c1 1951601773 FPZDQCRDOCDLTI-VGSWGCGISA-N 459.498 4.222 10 10 JICE COCC1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 1965955147 FKHRTIMIACESFV-UHFFFAOYSA-N 463.800 4.314 10 10 JICE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2294061379 YRHCGPPVGDJXAT-UHFFFAOYSA-N 462.546 4.423 10 10 JICE O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2295894341 NQZKHTUEPCHBHG-ZDUSSCGKSA-N 473.519 4.354 10 10 JICE COc1ccccc1C=C1SC(=S)N(CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 2296885210 JGVPUDIQKQPONY-UHFFFAOYSA-N 465.600 4.127 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 2297334434 MCZQDDFYBLWYHF-UHFFFAOYSA-N 493.313 4.400 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 2314935473 PISRTYKQFAMGRI-UHFFFAOYSA-N 473.572 4.088 10 10 JICE CCCN1C(=O)/C(=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 33616054 SQMLLIYGUJYXAS-GHRIWEEISA-N 453.545 4.107 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)Cc4ccccc4)C(=O)[C@@H]23)cc1 59428034 VKMJEKAVLRDRSA-LVEBQJTPSA-N 479.532 4.117 10 10 JICE CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)sc(C)c1C 95926011 CWKWZIFVWQEDHZ-JYRVWZFOSA-N 466.631 4.443 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccc(OC)cc2OC)cc1 104619666 XOLOONODNQXEJC-HYARGMPZSA-N 459.458 4.455 10 10 JICE COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 1084148347 PCTLJGXRYPNLLU-ZROIWOOFSA-N 494.139 4.195 10 10 JICE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1CCCn1ccnc1 1858591085 XEAYHHTWHFXMIV-NTUHNPAUSA-N 458.790 4.296 10 10 JICE CCOc1ccccc1C(=O)N1CCN(c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)CC1 1860849259 OIXFDSVBJBDPEH-UHFFFAOYSA-N 472.589 4.366 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861915338 JWPDXDJVYIEQOO-QFIPXVFZSA-N 488.426 4.095 10 10 JICE COC(=O)c1c(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)sc(C)c1-c1ccccc1 1865977000 OGRYGQRFAJKTCE-UHFFFAOYSA-N 454.470 4.250 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](Cc4ccccc4)c4ccccc4)n(C)n3)CC2)cc1 1869969513 OGTJIHNEGTVGOH-AREMUKBSSA-N 496.615 4.115 10 10 JICE CCCCNC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951685 BZFPOMRDNZGYFD-UHFFFAOYSA-N 478.593 4.146 10 10 JICE CC(C)OCCOc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870990626 ZEGLHMHTLBWDMH-HXUWFJFHSA-N 451.567 4.389 10 10 JICE CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017288 MYOXFJZRLSPREG-JOCHJYFZSA-N 481.508 4.039 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2cccc(Br)c2O)C1 2025234142 PXPJZIGXMBHFQI-FQEVSTJZSA-N 490.442 4.366 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079844445 MNUKEVHIGHRJTB-INIZCTEOSA-N 458.340 4.237 10 10 JICE O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296193911 GAXLVTGSEFMAKE-UHFFFAOYSA-N 467.594 4.466 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F 2313683227 UZZVQQRSUZJRDV-UHFFFAOYSA-N 451.376 4.376 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)ccc1O 1237760 FJWPPIKNVGPDIC-CAOOACKPSA-N 462.936 4.004 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 20236562 ZILOSONKEBMXFB-OHGJXKEGSA-N 483.908 4.265 10 10 JICE CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(Br)c3)C(=N)N2O1 20236887 MCJJHQNYRWDGAX-IOBVOHSESA-N 483.278 4.387 10 10 JICE COc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(N2CCOCC2)cc1OC 20496531 OAHHOCRLBSQGBP-UHFFFAOYSA-N 455.338 4.173 10 10 JICE CN(C)c1ccc(CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 33730818 FAEIQLUCJDXPLU-TYQNLQDCSA-N 454.636 4.279 10 10 JICE Cc1ccc2nc(N3CCSCC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 34687949 HKJQLNOKQDFHKU-QGOAFFKASA-N 486.688 4.090 10 10 JICE O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1cccc(Br)c1 38188144 DYPNGICVIQPDQF-SDQBBNPISA-N 466.085 4.424 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1 39793663 KFFUZMWDGSPLAJ-WQRHYEAKSA-N 498.611 4.278 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 95927177 JHUYFBHYPJOOAC-ATVHPVEESA-N 460.533 4.084 10 10 JICE COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 101135840 FYLORNYYCALDMZ-PGMHBOJBSA-N 462.531 4.215 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(c4ccncc4)SC3=NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 102470368 NFCUWKTZFMLPNW-IEHORWCKSA-N 471.502 4.065 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526556890 PSGVQJSZYROLDJ-QFIPXVFZSA-N 455.413 4.450 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)CC1 1508179693 UYGJDJLWANTQGW-UHFFFAOYSA-N 484.695 4.263 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864011588 VZQAIGDHUXPURX-LHSJRXKWSA-N 496.995 4.499 10 10 JICE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865031882 QPSRCPXUPILQBE-NRFANRHFSA-N 476.577 4.180 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675211 UXFAWOBYHBXZGH-PXLXIMEGSA-N 465.550 4.147 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868681652 FDXTXEAQJIXFSP-IZZNHLLZSA-N 495.689 4.166 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559894 RPXDWORTYSKJOQ-UHFFFAOYSA-N 489.668 4.349 10 10 JICE CCOc1ccc(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OCC 1874012605 RUOBZZBETOPXFO-UHFFFAOYSA-N 482.536 4.485 10 10 JICE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=C1C(=O)N(Cc2ccccc2)c2ccccc21 2042931801 XESXROZOYOCWJC-UHFFFAOYSA-N 480.593 4.396 10 10 JICE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNCc1cc(Br)cc(F)c1O 2159031242 AAKAGPSKXDWQHI-KRWDZBQOSA-N 453.299 4.418 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H](C4CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163171881 KWZLJLHQOIJYKE-KRWDZBQOSA-N 472.630 4.255 10 10 JICE CCCOc1ccccc1C=C1SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 2295967751 ITCFVNUMLWOXHZ-UHFFFAOYSA-N 452.536 4.176 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3-n3cccc3)CC2)cc1 8591989 ZPXMBZQHMZIRIX-UHFFFAOYSA-N 459.525 4.082 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 33474026 VAJQLKRGCBSQKX-FJSNCCPHSA-N 486.663 4.375 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 102852201 VUJOYTZSASFDPJ-YRIIZNAFSA-N 494.598 4.035 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104784879 BQUXXQXLZJTAQY-BHIFYINESA-N 489.886 4.483 10 10 JICE COc1ccc(N2CCN(Cn3nc(N4CCCC4)n(-c4ccc(C)cc4)c3=S)CC2)cc1 105120536 OHXZONZPNSFECI-UHFFFAOYSA-N 464.639 4.100 10 10 JICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)ccc1C(=O)OC 205940542 UKVYGYASEVUPMF-KGENOOAVSA-N 480.477 4.057 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 1084406870 QALGMZAZVURKAF-GZTJUZNOSA-N 467.821 4.183 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088723261 JGBKHLQDCNIUDP-RGZVIEDOSA-N 489.518 4.234 10 10 JICE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705522487 GVRSGAOSMXASDF-ZJSXRUAMSA-N 483.632 4.475 10 10 JICE CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860251549 BQBSSFDKBRFXCG-LJQANCHMSA-N 464.562 4.179 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2)c1 1860891337 RWBYKICTDJMLJM-UHFFFAOYSA-N 467.573 4.449 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864014611 ZFFDQHZGQIDMJY-UZUQRXQVSA-N 490.604 4.475 10 10 JICE COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1Br 1865966395 XYNZFGKAHUIYGH-NRFANRHFSA-N 460.416 4.481 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)c4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869969926 AKGLRBNENPPTPC-IBGZPJMESA-N 462.598 4.111 10 10 JICE CCN(CC)CCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870612150 OLJIJOIYHDVHBT-UHFFFAOYSA-N 496.696 4.256 10 10 JICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873166161 FFVPWGYXUHCTJS-RUZDIDTESA-N 469.585 4.451 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873168999 UAYIUZJKUJBSJM-KOSHJBKYSA-N 471.605 4.308 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079854377 GITIXYXHEZPNOD-GFCCVEGCSA-N 455.218 4.048 10 10 JICE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106841361 MVQGMRMKSNJQBQ-QGZVFWFLSA-N 460.619 4.255 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc(N)c2C1 2163164848 KIFUNLDSDGCWOQ-HTAPYJJXSA-N 472.630 4.398 10 10 JICE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2294095273 MXZRIRPUFHVWCU-UHFFFAOYSA-N 495.285 4.382 10 10 JICE N=C1C(=Cc2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(N3CCCC3)=NN12 2297499393 AFFGZPUXLNDKAD-UHFFFAOYSA-N 495.992 4.470 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)c1C 2313548249 PYVMMZAIOBQSJU-UHFFFAOYSA-N 478.140 4.495 10 10 JICE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314400195 KRYGNVGRRWXURZ-UHFFFAOYSA-N 454.621 4.137 10 10 JICE CCOC(=O)CCN1/C(=C/C=C2\SC(=S)N(CC)C2=O)Sc2ccc(OC)cc21 1194039 XAPWVUKIPFZSIS-JCDHFMOQSA-N 450.607 4.166 10 10 JICE Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 15034413 VBQIWHBQBWHZDV-UYRXBGFRSA-N 470.572 4.079 10 10 JICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccncc1 33337767 BPWNKCOBMRCRLZ-STZFKDTASA-N 477.567 4.215 10 10 JICE CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)s1 33413986 XQTXULYHCXMJGJ-JLHYYAGUSA-N 497.465 4.483 10 10 JICE CCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 38732826 KRWVOMFLEJEBIE-ZHZULCJRSA-N 468.648 4.246 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 205691461 DTKDSGAHCQXLJT-QGOAFFKASA-N 457.533 4.224 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nccs1 211947453 LXNAJHAEDJIQQM-LICLKQGHSA-N 487.584 4.164 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869129920 KZSWYVITQGZJTR-ZRZAMGCNSA-N 486.664 4.478 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1869231896 KTTRWRUIWZUAMR-HHHXNRCGSA-N 475.641 4.247 10 10 JICE COC(=O)C1CCC(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166923 LKOAGFNXODUMKF-UHFFFAOYSA-N 477.605 4.151 10 10 JICE CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650207 LXEBNTMPWJBQTM-UHFFFAOYSA-N 492.530 4.317 10 10 JICE CC(C)C[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179985 UJGGZPXSULRTNL-QHCPKHFHSA-N 467.525 4.341 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)c1 2293638395 QJPWTVWQSCXUCI-UHFFFAOYSA-N 487.468 4.027 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1 2297341020 FJDWEUUGQIFMNX-UHFFFAOYSA-N 498.586 4.101 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@H](C)C(=O)O 2314934831 KRLKLLLMHFBEBD-GFCCVEGCSA-N 473.528 4.072 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1183882 SFBFNQZQOZGSLL-GXDHUFHOSA-N 455.785 4.314 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCC(=O)O 16919700 VKOJVDLXZGHLKY-LDADJPATSA-N 489.531 4.075 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1 20114643 VDILCCFHOZOEMP-PMOKRTJVSA-N 466.544 4.244 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N21 20206933 FKFOVFOEMBLFSH-IQGAPNPZSA-N 490.010 4.067 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)NCCCSC)c4ccccc4n3)CC2)cc1 23334670 GEGRDRFYRGWJFT-UHFFFAOYSA-N 450.608 4.053 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc(Br)c1O 40885182 JDCXBBNZSJRWFH-DHDCSXOGSA-N 486.409 4.240 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 205692696 HMPYZXWHNHHNIV-XDHOZWIPSA-N 487.559 4.406 10 10 JICE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 206297595 ULDFUATVLSBFPV-DEDYPNTBSA-N 457.573 4.347 10 10 JICE CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 213167560 ZTDGULFOXZVAQL-JXAWBTAJSA-N 467.572 4.497 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c(C)c1 727246227 QMIWCWSICCPXIY-UHFFFAOYSA-N 452.941 4.368 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C 1084168404 PAKFRUCAPWTDQE-MOSHPQCFSA-N 450.495 4.105 10 10 JICE CCN(CC)CCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858595600 DSAJNWKRRPEUBF-HEHNFIMWSA-N 477.696 4.257 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(Cc4ccccc4)cc3c2=O)c2nccn2C)cc1 1866465200 DPIQFMRTZZGQQT-HHHXNRCGSA-N 491.595 4.438 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079853767 CJNRLQFJNXLDRH-AWEZNQCLSA-N 480.224 4.423 10 10 JICE CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2106876774 ONGKQOAEPNTRGA-UHFFFAOYSA-N 460.619 4.398 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OC 2293139938 ZHKBOUMAFBGUTO-UHFFFAOYSA-N 479.377 4.013 10 10 JICE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccccc2OC)SC1=S 2293199798 CGBRYYDRVGYKPS-UHFFFAOYSA-N 460.533 4.282 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C 2294229470 XNBIGKJBZYIMOK-UHFFFAOYSA-N 475.364 4.076 10 10 JICE O=C1C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296851516 MSYTWMXIVWGVEE-CQSZACIVSA-N 483.546 4.006 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1 2296885247 LABBEOKSKNCITN-UHFFFAOYSA-N 456.545 4.014 10 10 JICE COc1cc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc(OC)c1OC 2323790176 SWJMOVVJDAJIOS-UHFFFAOYSA-N 450.626 4.223 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330081766 JVWDXDSNTDQXIF-NDEPHWFRSA-N 483.612 4.175 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2533616 IMBJNQHZDZZQMN-WUKNDPDISA-N 497.436 4.422 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 16922690 ILWJACHJFPHIIQ-YBEGLDIGSA-N 450.488 4.224 10 10 JICE Nc1ccc(CS(=O)(=O)Nc2c(Br)cc(Br)cc2Br)cc1 20504275 WIDXMBJQBGUTHD-UHFFFAOYSA-N 499.022 4.498 10 10 JICE CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC1=S 33315704 ZSBRTQWTKXCTQW-MHWRWJLKSA-N 462.325 4.014 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1C 33677690 AYLSYZOUBCZVJI-YBFXNURJSA-N 465.556 4.142 10 10 JICE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 33808794 UQYHJEZMOIDDSQ-JWGURIENSA-N 487.585 4.180 10 10 JICE COCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)SC1=S 39835716 BTCMLXOTALCLMN-SFQUDFHCSA-N 487.990 4.296 10 10 JICE COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 197117154 FGDSGZGAXYHSMY-DHIUTWEWSA-N 483.594 4.439 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC[C@H]1CCOC1 1705479733 OHCPEPMQMANIEM-NZQKXSOJSA-N 461.610 4.254 10 10 JICE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(CC)CC)cc2)CC1 1705785658 QSKUVDIGIBUDRX-UPVQGACJSA-N 453.631 4.299 10 10 JICE COc1cc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 1858594062 JPVRQMJJMOCYKC-JZQBQCRLSA-N 485.587 4.347 10 10 JICE CCCOC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858849810 BTSJCWOFGODRTD-HNNXBMFYSA-N 473.485 4.222 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cccnc4Cl)CC3)cccc21 1860605781 OTUVUOJRZNPPBU-UHFFFAOYSA-N 473.916 4.001 10 10 JICE CCN(CC)CCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860761127 MYMBJOIGPRNLQG-UHFFFAOYSA-N 473.639 4.304 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864009285 DJLUDXXYMHLLKH-MYYSRTQBSA-N 488.588 4.073 10 10 JICE CCC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868999642 PQJTZZDDGOEQFI-DVECYGJZSA-N 472.029 4.476 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1OC 1873166866 ZHUGAOPYUYLCAK-UHFFFAOYSA-N 487.600 4.432 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873168116 JOFSLMICHPDYDD-QFIPXVFZSA-N 470.617 4.477 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NCc1ccc(Br)cc1O)CO2 2160194026 QREALKYRDCXOCQ-FQEVSTJZSA-N 475.383 4.205 10 10 JICE C[C@H](c1ccccc1O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268738288 UDFLVEASUDIYCF-LJQANCHMSA-N 454.567 4.366 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 2294216925 PWQOMFXEKIVDSX-UHFFFAOYSA-N 481.755 4.038 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297352698 MYXQRQUWMBVAHV-UHFFFAOYSA-N 450.543 4.296 10 10 JICE CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 109184466 OBHKJTIETZWOGQ-NLFFAJNJSA-N 465.638 4.453 10 10 JICE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCSCc2nc[nH]c2C)cc1 205965665 CKZFPTQRMHDOEB-HAVVHWLPSA-N 479.581 4.414 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 226728109 XXZXFYUVCGZXTD-JLHGSKIFSA-N 494.444 4.462 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526478182 RYYPYBSGNLVEMV-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC 1084548875 YPZSWMHDEJKUSZ-DHDCSXOGSA-N 473.323 4.140 10 10 JICE CNc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c(Nc2ccccc2)c(F)c1N 1858181369 NZTVPTFTSIFMKX-UHFFFAOYSA-N 450.514 4.409 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3cccn(Cc4ccccc4)c3=O)cc2)c1 1860848686 YJCOGGXCZKAPLD-UHFFFAOYSA-N 480.568 4.145 10 10 JICE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)=C(N)O2 1865028766 ZZYSMYJYJRMEDP-RUZDIDTESA-N 496.567 4.063 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1 1865679406 LSFRHWRCCHKGFB-AUWJEWJLSA-N 467.787 4.364 10 10 JICE C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865927127 JEJHBPRCKVERRA-DSBYRVASSA-N 462.638 4.006 10 10 JICE CC(C)CC1=NN(c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2)C(=O)C1 1866192567 ZJMRNEMLOXCFCS-VWLOTQADSA-N 472.593 4.144 10 10 JICE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868700437 QESTXUYOTUUTFQ-RPBOFIJWSA-N 469.601 4.208 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873162486 XXGSZXKLQFQVAP-UHFFFAOYSA-N 493.611 4.293 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(I)ccc2O)C1 1952447369 FQVXZMVFGZSKJE-WMLDXEAASA-N 481.286 4.171 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 2040498936 QNUAXVXZQOOEQM-UHFFFAOYSA-N 474.652 4.233 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079016617 POIZXVCRINLEMK-HNNXBMFYSA-N 454.308 4.497 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079874599 HMWVBAPHLIONDL-CQSZACIVSA-N 466.266 4.267 10 10 JICE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2163116090 NRCMAONEIMUIOV-IRXDYDNUSA-N 472.630 4.302 10 10 JICE CC(C)Cc1nnc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)s1 2296756274 VWLBGKHIRHUEGE-UHFFFAOYSA-N 497.465 4.339 10 10 JICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 2297309459 BHIHNPJLGYSNNV-UHFFFAOYSA-N 473.460 4.114 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297458169 FEVVRGVOIYHVFF-UHFFFAOYSA-N 462.384 4.226 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 2331159843 YIMZUPKSDCMVBQ-QHCPKHFHSA-N 499.611 4.141 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(F)c(Cl)c4)n3)CC2)cc1 33309936 JATPSIWVVIJMBS-UHFFFAOYSA-N 487.988 4.335 10 10 JICE Cc1ccc2nc(NC3CCCCC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33528806 DIQHIHLSWGXILF-LSPINASFSA-N 484.647 4.128 10 10 JICE COc1cc(Cl)cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1O 38160094 RSTFUOLKFDNINV-QPEQYQDCSA-N 451.660 4.323 10 10 JICE Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)sc12 65081411 GOPNRJPVYXDRDW-HXUWFJFHSA-N 474.634 4.389 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 72413317 ZLWQMPYRGTYIOK-VWLOTQADSA-N 472.501 4.230 10 10 JICE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 103872609 TVSKABDVAMLNLW-ULJHMMPZSA-N 460.559 4.192 10 10 JICE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 210673055 FOBFLKWMWRYWTM-LZYBPNLTSA-N 498.504 4.268 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 213186762 YTHHFGPNBCKQTQ-ATVHPVEESA-N 499.545 4.000 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526263726 CIULDXFJVRGGGG-DEOSSOPVSA-N 461.470 4.375 10 10 JICE C[C@H]1CN(c2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 747390084 FHVLGNHDGBSGLG-IYBDPMFKSA-N 485.496 4.236 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CC)C1 1705590691 TVAQIUWPQNQUNC-XMMPIXPASA-N 454.622 4.157 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 1858591958 DMWCOHXXFLBSPQ-SXZORUHJSA-N 487.599 4.477 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865027242 WSOFEKHLNMOJEG-HSZRJFAPSA-N 491.592 4.110 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)cc1 1872873074 MHERURYVDCWISD-UHFFFAOYSA-N 461.518 4.453 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422278 OKSLUTDLQXQNEX-UHFFFAOYSA-N 494.954 4.215 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426099 NVONUDKZUPLYBX-UHFFFAOYSA-N 496.527 4.160 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(C)c(Cl)c3)CC2)cc1 1873532864 IQLGEPICOMPZHV-UHFFFAOYSA-N 461.953 4.078 10 10 JICE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873575905 ZTWFMMSJUSYLTN-UHFFFAOYSA-N 478.641 4.487 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COCc4ccccc4)c3)CC2)cc1 1874728090 LVLXAYRILGDFSZ-UHFFFAOYSA-N 487.600 4.246 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297499659 SWSAEMSIZKCAJV-UHFFFAOYSA-N 454.533 4.251 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1)C(=O)O 2314932780 YPCYXACPRHPARL-KRWDZBQOSA-N 459.545 4.352 10 10 JICE CCOc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)O)c(OC)c2)SC1=S 2314933030 RHORAROITKAZKJ-ZDUSSCGKSA-N 459.545 4.352 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)cc1 2321621526 UYKYKVIABCHFFZ-UHFFFAOYSA-N 456.589 4.348 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641931 VBZMUSLGHQWUMJ-UVPKRVSESA-N 464.562 4.448 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCc5ccccc54)s3)CC2)cc1 15732275 NEOKXZPPNUFBDX-UHFFFAOYSA-N 476.646 4.393 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33436275 KLGINBZVZOJRKK-XDJHFCHBSA-N 464.616 4.269 10 10 JICE O=C(COC(=O)/C=C\c1cccc(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 33470512 DZNKWHAMVSLLDI-FLIBITNWSA-N 490.309 4.420 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(F)cc1 209559206 RLTXLIUGVYITIT-MOSHPQCFSA-N 460.461 4.388 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Br)c3)C2=O)c1C 1084107288 PYVMMZAIOBQSJU-ZROIWOOFSA-N 478.140 4.495 10 10 JICE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=O 1084375853 SDKNLPGWMKBSOT-SFQUDFHCSA-N 450.834 4.307 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)CC1 1286841240 KYRJWYBGODKQIQ-UHFFFAOYSA-N 488.658 4.094 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCC(C)C)CC1 1760605904 DUSHLNDNBNBVBL-UHFFFAOYSA-N 480.682 4.410 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4cc(-c5ccccc5)ccc4n3)CC2)cc1 1858510440 RTDIAPBRVXFUOZ-UHFFFAOYSA-N 486.597 4.452 10 10 JICE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858594185 ORLNFOBYSGGSKP-INQNZLQJSA-N 466.353 4.485 10 10 JICE COC(=O)c1c(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860627717 NLHUFMLGIFZEIR-HXUWFJFHSA-N 484.618 4.483 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1862296283 DMEORVXRJJFOMM-AREMUKBSSA-N 457.574 4.132 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 1866141663 ZHLMGAADSCRLTA-PKTZIBPZSA-N 458.647 4.185 10 10 JICE CCN(CC)CCCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873910679 MSDSRGGXRHNDTB-UHFFFAOYSA-N 485.632 4.203 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2080001970 PWQJHVSGKCEUGS-AWEZNQCLSA-N 470.307 4.255 10 10 JICE CC(C)(C)OC(=O)N[C@]1([C@@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106865469 HWKJQIQHLUXNEJ-RPLLCQBOSA-N 450.627 4.456 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCCN1C(=O)OC(C)(C)C 2224849750 ZAILZCZTQQXJPN-QGZVFWFLSA-N 460.619 4.398 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C2=O)cc1 2294124677 VNYXNHQFSRDJGR-UHFFFAOYSA-N 471.513 4.110 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2313558182 VACLHMXAEFWXEP-UHFFFAOYSA-N 454.797 4.104 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C1=O 2313624591 WLKBKUBAWGBPDY-UHFFFAOYSA-N 496.361 4.273 10 10 JICE O=C(O)CNC(=O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314832080 ZFDAQUDFAFQOSI-UHFFFAOYSA-N 464.568 4.175 10 10 JICE COc1cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(=O)c1cccs1 34865161 VZSIBLSMDMUPGO-NTEUORMPSA-N 472.881 4.230 10 10 JICE COc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccc(Br)cc43)SC2=S)cc1 40845325 YQSVZXMTZLJBES-NXVVXOECSA-N 461.362 4.210 10 10 JICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 254816185 CZWIGJABFXSKGY-HSZRJFAPSA-N 495.670 4.095 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)c(Cl)c3F)c2)CC1 1459047127 DASMQIWTQQAMQB-UHFFFAOYSA-N 454.727 4.162 10 10 JICE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)ccc21 1462867768 BEGFRHATURVWCL-UHFFFAOYSA-N 457.640 4.386 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2ccc(F)cc2)CC1 1860484590 VJHAHYYUCXPFLL-CYYJNZCTSA-N 457.550 4.281 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(ccc4ccccc43)c2=O)c2nccn2C)cc1 1866076562 HBGOCWGLXMYXMK-QHCPKHFHSA-N 451.530 4.000 10 10 JICE CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905648 XVWGGUFYWRCWOD-CLJLJLNGSA-N 496.721 4.256 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(F)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970777 XNXAZLPKEPWNBX-UHFFFAOYSA-N 486.551 4.302 10 10 JICE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873164730 PKQDJKFHOSGAGX-UHFFFAOYSA-N 459.594 4.241 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 2313559312 WEGCFAKGCJHWMI-UHFFFAOYSA-N 477.473 4.144 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3c(F)cccc3Cl)C2=O)c1 2320656177 NXUODFAVSVCVJL-UHFFFAOYSA-N 450.944 4.119 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15044409 SLNYQEWQXYRVFH-RGEXLXHISA-N 470.572 4.491 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3cc(NCc4ccccc4Cl)ncn3)CC2)cc1 33174827 FHAIYASCQBEEQS-UHFFFAOYSA-N 484.025 4.192 10 10 JICE COc1ccc(OC)c(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 33702889 RODREAWGXKEOIN-DQRAZIAOSA-N 495.626 4.270 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 34690901 HFXZSOBVYNMDQI-ISLYRVAYSA-N 458.948 4.026 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 39875028 NWNOTLCYOWDDQN-MFOYZWKCSA-N 471.585 4.153 10 10 JICE Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)c2)no1 788317340 XCPCYOVYQAGHRR-UHFFFAOYSA-N 478.574 4.164 10 10 JICE CC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)=NN1c1ccccc1 1524702883 GRIYFYASBBZBOP-BXKMTCNYSA-N 452.986 4.416 10 10 JICE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccccc4)c3C)cc21 1663551459 WYTHJYVLCOLIHK-QGZVFWFLSA-N 451.592 4.433 10 10 JICE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccc(C)c(C)c1 1860764611 AWTFLMPVLHGLJB-UHFFFAOYSA-N 472.592 4.101 10 10 JICE Cc1cc(Br)cc(C)c1OCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865938126 WYCMNHNAKWNHLM-NRFANRHFSA-N 471.399 4.150 10 10 JICE CCC[C@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868841454 FURXDDADWIAKDN-UIOOFZCWSA-N 465.638 4.377 10 10 JICE CCCCN(C)C(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870948362 ZZUKIHKCKPRBRF-UHFFFAOYSA-N 492.620 4.488 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cc(Cl)ccc3C)CC2)cc1 1873536361 MSAPRKXHJGFPRJ-UHFFFAOYSA-N 461.953 4.078 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)nc(O)c2)C1 1952863595 WHAGRIXJHALSSJ-NYHFZMIOSA-N 460.486 4.280 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC)C(=O)O 2314932354 MOLACQKWYHOKTQ-CQSZACIVSA-N 473.528 4.072 10 10 JICE CC(C)N1CCCc2cc(CN3CCc4c(c(C(=O)N5CCCC5)nn4Cc4ccncc4)C3)ccc21 14732869 GTVYKWHXJKVVAU-UHFFFAOYSA-N 498.675 4.282 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459693 ANCHLFHVXAJIHH-CJLVFECKSA-N 492.670 4.390 10 10 JICE CCOC(=O)c1c(C[S@](=O)c2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 34817511 CTIGWEMWZSPYAS-SSEXGKCCSA-N 493.423 4.193 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 39990235 KXCPHKDRGRVUTM-LIEIOVMRSA-N 488.679 4.053 10 10 JICE Cc1cccc2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 40562686 FYXVJLCPASZLBG-UNOMPAQXSA-N 468.648 4.102 10 10 JICE COc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 60320030 BTBSFEZHFYCASE-UHFFFAOYSA-N 463.553 4.205 10 10 JICE COCCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213197013 DJYXJPCDTUBPJH-UYRXBGFRSA-N 481.599 4.260 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1CC(F)(F)C1 1705895782 SALHHUXGFGJRBZ-UHFFFAOYSA-N 468.552 4.136 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)[C@H](C)C1 1760610470 ZEXJGHHRJQUVID-OAHLLOKOSA-N 477.059 4.294 10 10 JICE COc1ccc(-n2nc(C)c3cc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cnc32)cc1 1866254888 BLLOCLUPIIWRDO-RUZDIDTESA-N 495.587 4.056 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868695666 DAWAOPRYYQQBCS-AREMUKBSSA-N 465.638 4.413 10 10 JICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1O 2025360346 SYRPCDCJNKKNOF-UHFFFAOYSA-N 457.999 4.333 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(N)c2I)C(C)(C)C)c(O)c1 2080053355 SRUUQXOFEXGASJ-INIZCTEOSA-N 455.340 4.471 10 10 JICE CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 2297331264 SEZRUIQOQZXQRE-UHFFFAOYSA-N 479.714 4.176 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2314414737 KUAYXJNRKSRDPT-UHFFFAOYSA-N 454.577 4.209 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330395686 CAHDMLAGALOWGC-VWLOTQADSA-N 479.646 4.082 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475829 ZBPLABDQTAQSKZ-YZZKKUAISA-N 455.536 4.302 10 10 JICE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1F 27521364 IUMRDDLVNIVOCY-HMAPJEAMSA-N 478.480 4.218 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(I)c3)C2=O)cc1 33337371 QNVCBDTWYPAENZ-GDNBJRDFSA-N 492.269 4.205 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5ccccc5)cc4n3)CC2)cc1 1858142100 GFJGCZVBJCNCAU-UHFFFAOYSA-N 453.546 4.245 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)sc(C)c1-c1ccc(C)cc1 1860748993 RXRZPQRWHRJUTA-UHFFFAOYSA-N 483.502 4.313 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn([C@H](C(=O)O)c3ccccc3)c3ccccc23)SC1=S 1860826750 LSNAKNGTSCTVBD-YMFQVDJJSA-N 480.567 4.381 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865032149 WRNMNTKEWLFXPT-YVHKJVDXSA-N 488.588 4.180 10 10 JICE O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1866109106 CTKASTJWFFJFFQ-UHFFFAOYSA-N 459.241 4.333 10 10 JICE CCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329142 JREQYYWZMWQMJL-UIOOFZCWSA-N 464.654 4.303 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869129918 KZSWYVITQGZJTR-DHIUTWEWSA-N 486.664 4.478 10 10 JICE CC(C)(C)OC(=O)N1CCN[C@H](c2cc(Br)cc(Br)c2O)CC1 1952076040 VEDCZTVKDGTNCK-ZDUSSCGKSA-N 450.171 4.189 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2079874140 ZTJPQLGRJFDSSG-AWEZNQCLSA-N 480.249 4.172 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)ccc(N)c2C1 2163166269 XWKIZXZBMDGDLB-WGDIFIGCSA-N 472.630 4.255 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 2294204872 NDIDJYXJNALHID-UHFFFAOYSA-N 451.935 4.361 10 10 JICE CCOc1ccc(C=C2SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)cc1OCC 2296390179 YYZCUQMHCCHYRA-UHFFFAOYSA-N 467.591 4.285 10 10 JICE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccccc1 2296701554 AMEHDKXLSXZOBQ-UHFFFAOYSA-N 475.551 4.037 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 2297349632 FMEMXPHHDZHZCL-UHFFFAOYSA-N 463.606 4.089 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314827869 OGDJQTZJTWSVAT-UHFFFAOYSA-N 476.963 4.062 10 10 JICE CC(C)(C)OC(=O)N1CC2(CC[C@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2362316221 DKEJHUZXMLQZGV-AWEZNQCLSA-N 461.784 4.066 10 10 JICE O=C1[C@H]2[C@@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 35531479 ZULCMHYQZWBAGM-QHAWAJNXSA-N 475.859 4.174 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)c1 35625071 NVGISFXRXWKZMO-LDADJPATSA-N 456.545 4.014 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2c(C)cc(C)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 54310885 BFJHASASSTZGJD-XMMPIXPASA-N 472.651 4.053 10 10 JICE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S 106377831 IQLZWWAZAZXOAJ-MOSHPQCFSA-N 454.573 4.408 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526329829 ZZSDLPNDFXKBGT-DEOSSOPVSA-N 479.485 4.189 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(Cl)cc1 1860757945 CRFDCYNXFSAKKQ-DIFFPNOSSA-N 480.970 4.108 10 10 JICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865680007 RWXVESMEOFAVTH-CIAFOILYSA-N 462.477 4.387 10 10 JICE COC(=O)c1c(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(C)cc1 1866112490 YGCORFNSYLQFFS-FQEVSTJZSA-N 466.559 4.210 10 10 JICE Nc1ccc(CNc2cc(I)cc(I)c2)cc1 1944063104 FYRKSAADIRBUIJ-UHFFFAOYSA-N 450.061 4.090 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 2293218323 FIPXYBBLMJTNLE-UHFFFAOYSA-N 464.547 4.428 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 2294133888 KNAGUFDQYARBAW-UHFFFAOYSA-N 476.460 4.088 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 2297348223 VRPQBAUCPLXFRY-UHFFFAOYSA-N 461.430 4.092 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 2314934455 ZXPNDLNXDWCYMY-UHFFFAOYSA-N 473.572 4.001 10 10 JICE CCC[C@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330101636 AEMZKSRDMPSILD-DEOSSOPVSA-N 470.013 4.386 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)NCc1ccccc1 15039000 DYAGNMGGQFHLIV-BOPFTXTBSA-N 477.405 4.062 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(F)cc3)N3Cc4ccccc4C3=O)CC2)cc1 15721102 OJKNBIVOXGJRAR-AREMUKBSSA-N 473.548 4.270 10 10 JICE Cc1ccc(OCCOCCOc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1C 83295452 GZXVFUJUWBRAIP-XHPQRKPJSA-N 472.541 4.239 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@H]1c1ccc(O)c(O)c1 526528036 VKAVDLCUQRFCKY-XMMPIXPASA-N 491.496 4.349 10 10 JICE COc1cc(Cl)c(C)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858684138 FKDPVVLHSHVWQN-UHFFFAOYSA-N 456.886 4.263 10 10 JICE O=C(COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(F)cc1 2294095467 RUXQEGLRIDXETG-UHFFFAOYSA-N 493.878 4.163 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c1 2296777165 RIZDGONQIHKFAD-UHFFFAOYSA-N 460.515 4.142 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 2296849508 DVXUQBLJBRVPQS-UHFFFAOYSA-N 467.572 4.033 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2297352654 JVNLEUPCGAVLKT-UHFFFAOYSA-N 452.971 4.420 10 10 JICE O=C(COC(=O)CNS(=O)(=O)C=Cc1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 2297360870 KYVXUDQFPNAHSD-UHFFFAOYSA-N 478.530 4.174 10 10 JICE COc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1Br 2314760698 XWLSMHKBTOSKCP-MRXNPFEDSA-N 464.362 4.485 10 10 JICE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1cccc(C(=O)O)c1 34988809 OIHAWZASYMMVEE-UHFFFAOYSA-N 453.292 4.429 10 10 JICE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989543 WMLIVDJUNAWPLW-VVRYKASASA-N 492.670 4.246 10 10 JICE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)c2ccccn2)cc1 40316905 NJUDTSXMYXPZGU-OAQYLSRUSA-N 456.384 4.357 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310915 PURIZRJJGZSJQI-XMMPIXPASA-N 472.651 4.397 10 10 JICE O=C1[C@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 104906260 REFKVHSIRLCZNS-BUWVWOCESA-N 483.907 4.376 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)N(CCF)c1cccc2c1C(=O)c1ccccc1C2=O 586257077 BJNNDLSRIJAKJG-UHFFFAOYSA-N 473.909 4.289 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 1084445608 PWKYDWPBEKEQKZ-XKZIYDEJSA-N 484.443 4.403 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3F)c2)CC1 1435912073 NTJYOUCPXUASRN-UHFFFAOYSA-N 454.727 4.162 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1857996749 DKPUMGPEJBCNIP-UHFFFAOYSA-N 482.434 4.049 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017487 NJSYPOBKNAQNNU-XMMPIXPASA-N 496.567 4.165 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018063 BSWFVVGQUBDPAS-QKKBWIMNSA-N 496.995 4.168 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028651 XIOKOTRFXRJIJK-OJLQRUNKSA-N 488.588 4.099 10 10 JICE CCCC[C@H](NC(=O)CCc1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866579466 RKWOFFFGQRQEKS-QFIPXVFZSA-N 458.514 4.301 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@H](C)c2ccc(OC)cc2O)c1I 2080032324 BZGBXVNDGVSDTE-LLVKDONJSA-N 470.307 4.039 10 10 JICE COc1ccc(C(=O)Oc2cccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1 2293993199 XWTGVHRGDGLFMH-UHFFFAOYSA-N 476.872 4.234 10 10 JICE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC 2296050443 XXYIZZQCEXQEAY-UHFFFAOYSA-N 493.404 4.403 10 10 JICE O=C(Oc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 2296727436 AKKVZQZFQOPPER-GOSISDBHSA-N 470.528 4.194 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 15047066 CYKDCMAWSDSXJW-QIQQCEGHSA-N 470.572 4.100 10 10 JICE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 100208280 BCRIGRIWWPGFOV-LDADJPATSA-N 456.292 4.415 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2c(O)ccc4ccccc24)N3)CC1 226896096 MOHOTXYWGGLLKK-LOYIFYEOSA-N 475.614 4.308 10 10 JICE Cc1ccc(S(=O)(=O)N(CCCN(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C 586211252 HVBIZWPKAPIMDL-UHFFFAOYSA-N 476.598 4.226 10 10 JICE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc21 917844996 LPYQWFDUCFYQHO-UHFFFAOYSA-N 496.383 4.422 10 10 JICE CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C(C)C 1625991540 SUFNBGPNAJDPDB-UHFFFAOYSA-N 451.489 4.435 10 10 JICE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)cc3C2=O)cc1 1859548592 QYLPDEXARXDKGV-UHFFFAOYSA-N 478.888 4.138 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc(Br)c1O 1865667289 OZSYHALRQVUTPJ-XFFZJAGNSA-N 456.218 4.297 10 10 JICE CNC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016675 RSVDLVHFKQOUMJ-UHFFFAOYSA-N 468.557 4.377 10 10 JICE Cc1cc(C)cc(OCCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873955764 OHIBZNPFFKUQCW-UHFFFAOYSA-N 492.579 4.386 10 10 JICE CN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106853507 RQXAEKHVDZUFOU-SHQCIBLASA-N 450.627 4.109 10 10 JICE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 2297470176 VVQHTFWIIDFONA-UHFFFAOYSA-N 469.592 4.441 10 10 JICE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836586 HBNHHDUASHOUCY-SECBINFHSA-N 454.396 4.134 10 10 JICE NC1=NC(=O)/C(=C/c2ccc(-c3c(Br)cc([N+](=O)[O-])cc3Br)o2)S1 13426745 UIFDGFIYDLUENB-WZUFQYTHSA-N 473.102 4.309 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 39869928 CCBYFAINLXXEGV-VCHYOVAHSA-N 479.426 4.334 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413700 GXNKHIMFKWAXGK-HSZRJFAPSA-N 472.570 4.279 10 10 JICE COc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)cc1 95925704 PLPDSCBFFLLHOO-CPNJWEJPSA-N 450.472 4.114 10 10 JICE COc1ccc([C@@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 254395582 WDWWABVGDBDKGA-MUUNZHRXSA-N 493.632 4.393 10 10 JICE O=C(NCc1ccccn1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586612911 JVMJUNFWFRFUHD-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)c1nc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc1C 1544000223 SYUCLSYEADHVGO-UKTHLTGXSA-N 451.620 4.336 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)sc(C)c1-c1ccccc1 1860747331 FDODBWDEODCHCM-UHFFFAOYSA-N 465.531 4.436 10 10 JICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016398 OBXYNBSISVCEFB-HSZRJFAPSA-N 496.567 4.229 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019121 GQMQXNSSTFVUKA-RNODOKPDSA-N 482.968 4.109 10 10 JICE CC[C@H](C)[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865985326 IUBCOMSSTKFVRX-XZZVZQAVSA-N 490.648 4.107 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1 1866547883 NMLULMCNRRVLGE-UHFFFAOYSA-N 478.382 4.454 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(Cl)c5)CC4)nc(C)n3)CC2)cc1 1867990855 VPCLVMANEBOCSG-UHFFFAOYSA-N 479.028 4.100 10 10 JICE CCC[C@@H](NC(=O)[C@@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868836091 ZRZGKNLNUUTXPV-BJKOFHAPSA-N 472.029 4.476 10 10 JICE CCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Br)cc1 1869969316 LJXYMGMPMKWYQM-UHFFFAOYSA-N 499.413 4.104 10 10 JICE COCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870482467 JQEDJPONPDBXAJ-UHFFFAOYSA-N 483.653 4.175 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(C(=O)OC)c1I 2079981802 RNOCARNDMPZZEB-AWEZNQCLSA-N 454.308 4.474 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 2293382710 YDAYPSCWJWRGGU-UHFFFAOYSA-N 463.921 4.449 10 10 JICE Cc1ccc2nc(N3CCc4ccccc4C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296849709 BIFDZCFJIFTMDN-UHFFFAOYSA-N 490.654 4.423 10 10 JICE Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1SC(=S)NC1=O 2314835765 QWZFIZNBWVNVTN-UHFFFAOYSA-N 463.378 4.264 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc(Br)c1O 2332110905 OZSYHALRQVUTPJ-UHFFFAOYSA-N 456.218 4.297 10 10 JICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl 2240571 NIAAKOGAXDWTPT-LFIBNONCSA-N 467.821 4.183 10 10 JICE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)cc1 15203712 MFPBYNSLHWCFAO-UHFFFAOYSA-N 479.646 4.162 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226634775 WVTOOCVUEZRZTL-STSQHVNTSA-N 450.535 4.011 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1ccccc1C(=O)O 1084158536 MMLRLTXSFBZNPJ-KRWDZBQOSA-N 450.436 4.292 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)c1O 1307915042 RCTYOBDHAURZMY-HKUYNNGSSA-N 472.866 4.424 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccc(C(C)C)cc4)n3)CC2)cc1 1858514759 PKGUEMQYZJKVTL-UHFFFAOYSA-N 478.618 4.422 10 10 JICE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)cc3C2=O)cc1 1859549599 ZYHYFXCFBWCBDW-UHFFFAOYSA-N 464.861 4.095 10 10 JICE O=C(COc1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860554262 NXPQMQFXIHOKLH-UHFFFAOYSA-N 477.476 4.127 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864008644 OXLKDQMMJJJYPP-JOCHJYFZSA-N 494.979 4.389 10 10 JICE CCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871554678 RFOMXPICXVXGAO-UHFFFAOYSA-N 461.614 4.102 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080005787 INBJALDWJCHFBB-KRWDZBQOSA-N 470.307 4.111 10 10 JICE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O 2294076192 WPTLBGXXIFTROC-LBPRGKRZSA-N 494.594 4.406 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348210 UAGVFIYPJBGJCV-UHFFFAOYSA-N 475.457 4.482 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(OC)c(OC)c1 2313499042 DDFFKHJEJLVJJH-UHFFFAOYSA-N 458.308 4.344 10 10 JICE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 2314832012 XUGXABQCPKDOJO-UHFFFAOYSA-N 456.545 4.014 10 10 JICE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 2314837497 SZJGFHZZWGIJQH-LLVKDONJSA-N 478.979 4.291 10 10 JICE Cc1ccc(CNC(=O)c2csc(CNC(=O)OC(C)(C)C)c2)c(O)c1Br 2381143635 SPGITTSOBGMUPT-UHFFFAOYSA-N 455.374 4.479 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Br)ccc2O)[C@H]2CC=C[C@@H]32)CC1 20696192 LJBBJQZNXOFFKN-CEXJFXJFSA-N 468.395 4.369 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310945 SBTJUNDSHIQLQY-XUZZJYLKSA-N 472.651 4.133 10 10 JICE Cc1cc(CCNC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c(C)n1-c1ccccc1 729586959 KAWZBBWGQXORST-UHFFFAOYSA-N 460.622 4.093 10 10 JICE CC[C@@](C)(NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862208977 XIPSUJXUBYYLIO-MUUNZHRXSA-N 481.637 4.105 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865035671 YWJSMLZWEIFOJI-HXUWFJFHSA-N 456.587 4.000 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865036191 DBHJRGRKBUJDAZ-XMMPIXPASA-N 496.567 4.316 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869153462 VPPDAUVTNKFMMA-OAQYLSRUSA-N 459.594 4.012 10 10 JICE COc1ccccc1CNC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287844 WYJVZVOKOWBBKG-CIAFOILYSA-N 470.616 4.248 10 10 JICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419465 GKQGUWBXWMTRMG-XMMPIXPASA-N 499.567 4.252 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccccc4)cc3)CC2)cc1 1874740487 ZQBUUFQNZQMUQO-UHFFFAOYSA-N 458.558 4.238 10 10 JICE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 2059451286 PFLUKGAQSUAPIC-AREMUKBSSA-N 474.557 4.320 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 2293452786 FLDGLKBKZSOGJK-UHFFFAOYSA-N 490.463 4.334 10 10 JICE COc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 2296885413 TYCFIBNBTKJLQL-OAHLLOKOSA-N 465.600 4.125 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)Cc4ccccc4Cl)o3)CC2)cc1 9117920 IHEXMZLSDQICOY-JGCGQSQUSA-N 472.994 4.353 10 10 JICE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccccc1 33314214 AMEHDKXLSXZOBQ-QZQOTICOSA-N 475.551 4.037 10 10 JICE O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)N=C3O)cc2)cc1 33458304 JVEUYHPSUGQBPP-MTJSOVHGSA-N 487.424 4.379 10 10 JICE O=C(O)Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1 210497414 OOCUUVHZQUNCEC-SFQUDFHCSA-N 492.525 4.145 10 10 JICE CC(C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848228 GRGWPXJCWOASCZ-OAHLLOKOSA-N 473.485 4.220 10 10 JICE CC(C)COC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858856687 ZRAWOCHZZDXUOC-MRXNPFEDSA-N 487.512 4.468 10 10 JICE COc1cccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1 1860501978 GDSFZXDMXALVOU-UHFFFAOYSA-N 477.476 4.370 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccccc4F)CC3)cccc21 1860587490 GLKXHTBBQBRTFC-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865029351 LFGNMFINKIVXSV-QFIPXVFZSA-N 470.614 4.382 10 10 JICE CC[C@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838379 AFZGYESCUMAFLG-OWJWWREXSA-N 496.519 4.120 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)cc1 2296260074 HVDHKGCWRKMQFU-UHFFFAOYSA-N 468.307 4.112 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 2297347626 OMIIYEPUJIIHSF-UHFFFAOYSA-N 455.829 4.157 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2313557809 MKIKEIFCAKNFKR-UHFFFAOYSA-N 475.476 4.076 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330447409 GNKGSJQELISTOV-HSZRJFAPSA-N 488.415 4.355 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2C)cc1C 8646108 IWWYTTGXJWCPDX-SANMLTNESA-N 474.517 4.269 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 15039052 FDEVIPMFUPRTKN-AQTBWJFISA-N 458.561 4.030 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20286531 RSSOZTKLONGUJU-PXLXIMEGSA-N 465.510 4.130 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 20751719 HQSCVUDHUIDMFA-IPVFLDMMSA-N 462.571 4.393 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C3CCCC3)C2=O)c2ccccc21 35385296 FFWFREDTZVHAFE-QURGRASLSA-N 477.611 4.494 10 10 JICE CCOc1ccccc1NC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 38620042 BGRRDRXVRSOBFP-QHCPKHFHSA-N 464.566 4.372 10 10 JICE COC(=O)c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 65096318 AUSOEFUWGOKVRH-UHFFFAOYSA-N 474.966 4.152 10 10 JICE O=C(NCC(F)(F)F)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 914581303 GUEBSMDGDBZEGR-FQEVSTJZSA-N 487.482 4.124 10 10 JICE COc1ccccc1-c1cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccc(N(C)C)cc2)n(C)n1 1616154967 QRMPWHSCDFLJHT-UMXIMWEHSA-N 459.638 4.129 10 10 JICE O=C(COc1ccccc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860507745 PJUCGFVQLNVEKF-UHFFFAOYSA-N 477.476 4.127 10 10 JICE CCCOC(=O)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1860721671 RLMNMLPLLYCAIE-UHFFFAOYSA-N 455.736 4.103 10 10 JICE CCCC[C@@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102345 YOTOWCFQPKHSRX-XMMPIXPASA-N 491.636 4.332 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008373 JCZWUWJMRWCUHT-SSOJOUAXSA-N 496.567 4.472 10 10 JICE CC[C@H](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838774 LWJDOHSYAIUWJG-IZHWHUGBSA-N 496.519 4.120 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969335 VXZDJOWIANGHPU-UHFFFAOYSA-N 486.664 4.436 10 10 JICE CCCC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868736295 ZEMOXKKUSGAJKW-JOCHJYFZSA-N 485.650 4.134 10 10 JICE CC(C)(C)OC(=O)N1CCCN[C@H](c2cc(Br)cc(Br)c2O)C1 1952075549 RYXXKQXFAFSAJE-ZDUSSCGKSA-N 450.171 4.189 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047307 CGIYEVKQLKJKIV-CYBMUJFWSA-N 451.230 4.411 10 10 JICE CCN1CCc2cc([C@H](NC)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2163123289 KAHHSMZABVJCLF-LSYYVWMOSA-N 464.654 4.499 10 10 JICE CN[C@H](c1ccc2c(c1)CCN2C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2163136999 YYCQSVBTSQYWJW-RUZDIDTESA-N 464.654 4.499 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 2296711342 OLKUGDSVQKOFQO-UHFFFAOYSA-N 469.426 4.204 10 10 JICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 2313682379 BGTICWXFUJHJFY-UHFFFAOYSA-N 499.523 4.405 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 2314400432 LZJIZDZPFFUMPT-UHFFFAOYSA-N 494.617 4.471 10 10 JICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3cc(Cl)ccc3F)c3ccccc32)SC1=S 2326945050 VHBNCPCXOPDBNA-UHFFFAOYSA-N 476.938 4.072 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330395685 CAHDMLAGALOWGC-RUZDIDTESA-N 479.646 4.082 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc(NC(=O)Nc4ccccc4OC)nc3C)CC2)cc1 8848334 OWIUKGBPXMVTFN-UHFFFAOYSA-N 481.578 4.075 10 10 JICE COc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3cccc4ccccc34)C2=O)cc1OC 33429602 SGLXTGFKFRPUHT-BKUYFWCQSA-N 464.568 4.332 10 10 JICE CCCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2CC)c2ccccc21 33432298 ZJVUPLHBUMPNJC-DTQAZKPQSA-N 485.325 4.318 10 10 JICE COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 33436356 RPLSGYNEECCLII-WOJGMQOQSA-N 490.990 4.452 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 96450626 HBYNEOHRNJNZDG-JBMLUDNBSA-N 496.570 4.333 10 10 JICE C[C@H](C(=O)N(C)Cc1cc(O)nc2ccccc12)N1C(=O)/C(=C/c2cccs2)SC1=S 103040328 OICCTNKROGHVMO-NCUBORBFSA-N 469.613 4.250 10 10 JICE O=C1[C@@H]2[C@@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 104800472 ZULCMHYQZWBAGM-PCCBWWKXSA-N 475.859 4.174 10 10 JICE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 210672154 JONIGGOFKRLSDB-CXUHLZMHSA-N 498.504 4.268 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1 213173250 ZGSUHFJAXAHEMU-VJOZSWGJSA-N 493.610 4.484 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCC1 1705590239 GDZAGYYCEOWGJF-UHFFFAOYSA-N 454.622 4.301 10 10 JICE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705685965 MUFAQQOTOSBWHD-UHFFFAOYSA-N 460.420 4.317 10 10 JICE CC[C@](C)(NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861897245 JEDDTVMKZRVFST-VWLOTQADSA-N 490.069 4.247 10 10 JICE CCc1nc(-c2ccc(OC)c(OC)c2)ccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1865779327 CYANGYJOKJJPEG-UHFFFAOYSA-N 461.562 4.299 10 10 JICE CCCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873549119 YTZKCYQDWRVLHD-UHFFFAOYSA-N 498.631 4.449 10 10 JICE CN(C)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873895249 JUOJPLZZVHZGCT-UHFFFAOYSA-N 463.541 4.279 10 10 JICE COc1ccc([C@@H](C)NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873937605 OKDYKHYKKWVJLQ-GOSISDBHSA-N 478.552 4.460 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)cccc21 1874017973 ZWVDNGBQXHGGGM-CQSZACIVSA-N 489.325 4.216 10 10 JICE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 1877574623 ZABAMVFQHLPFJW-IBGZPJMESA-N 453.583 4.129 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NC12CC3CC(CC(C3)C1)C2 2297551955 METWJYDQGIFTNJ-UHFFFAOYSA-N 470.616 4.092 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 2313549322 SVRNJQVQVGERJB-UHFFFAOYSA-N 470.525 4.369 10 10 JICE CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 2314835464 JHAVRJBRPXWHBA-UHFFFAOYSA-N 476.963 4.023 10 10 JICE CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105238 KSPZXGNQURASIS-UHFFFAOYSA-N 477.605 4.297 10 10 JICE Cc1ccc(CN(C)C(=O)c2sccc2I)c(O)c1Br 2380775063 HKDTVDHWUWHAQR-UHFFFAOYSA-N 466.138 4.401 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4c(C)cccc4C)c3)CC2)cc1 3031274 HFHJGOVSDWHOKP-UHFFFAOYSA-N 497.592 4.214 10 10 JICE COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 20154788 JDDLCXQQMSNCCA-GETDDEKSSA-N 482.587 4.483 10 10 JICE CCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33459299 QAKPOAFMAZFSJO-XMHGGMMESA-N 464.616 4.269 10 10 JICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990002 QNFVUESMJDZRMF-UNOMPAQXSA-N 468.604 4.033 10 10 JICE Cc1c(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 207334761 UJNPAPBYFKLMIB-DEDYPNTBSA-N 460.584 4.382 10 10 JICE COc1ccc(C(=O)N2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)cc1 913099011 DXSSVHCQTYZMMN-VWLOTQADSA-N 497.555 4.201 10 10 JICE COc1ccc(N2CCN(Cn3nc(-c4cccs4)n(C[C@@H]4CCCO4)c3=S)CC2)cc1 915795687 HDZAXRWPYWJJAG-FQEVSTJZSA-N 471.652 4.110 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(-c4cccc(Cl)c4)n3)cc2)CC1 1296401343 ZGHJDQPTYNOSBG-UHFFFAOYSA-N 454.983 4.062 10 10 JICE CCc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n3ccccc23)cc1 1858227457 ZCQHZARNZIQSTR-UHFFFAOYSA-N 483.572 4.120 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 1859574521 RHAWGVSQVVAIPR-UHFFFAOYSA-N 457.577 4.429 10 10 JICE CCCC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865840837 JALLXCIQYUFUBZ-QFIPXVFZSA-N 496.519 4.264 10 10 JICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873165221 JAJXSUXBEUWSSL-DEOSSOPVSA-N 485.584 4.151 10 10 JICE O=C(N[C@@]1(c2c(O)cccc2[N+](=O)[O-])C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1953017756 QDLIZPWKMGVUCN-CLOONOSVSA-N 460.442 4.139 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080053024 RDVPNVLMQYOGKV-KRWDZBQOSA-N 466.319 4.455 10 10 JICE O=C(NN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1Br 2297327101 ZZESFASUCUXBLD-UHFFFAOYSA-N 490.360 4.460 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC 2297341633 JMQWWHVIPVEWSO-UHFFFAOYSA-N 451.331 4.232 10 10 JICE N=C1C(=Cc2cccc(OC(=O)c3ccccc3F)c2)C(=O)N=C2SC(c3ccco3)=NN12 2297364552 PHTAQKJSCBHRFZ-UHFFFAOYSA-N 460.446 4.305 10 10 JICE O=C(O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2297366063 PHEXWOGOEJUDMI-UHFFFAOYSA-N 472.975 4.323 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2313503008 AMNLXNSSYVXKKT-UHFFFAOYSA-N 488.587 4.160 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 2314913671 RRUHRGPEXGZOJJ-UHFFFAOYSA-N 479.583 4.258 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)n1-c1cccc(F)c1 8938073 ZNOXZUKQXHZUGO-RUZDIDTESA-N 485.462 4.485 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(Cl)c3)c3ccc4c(c3)OCO4)CC2)cc1 16953873 WBIUIULUBJQOFY-XMMPIXPASA-N 493.991 4.371 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=N)N12 20238930 BSCLUAMSZOCTMC-TUQWILOLSA-N 457.493 4.193 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 20289436 AXZPGDFBCOMVOG-CLOONOSVSA-N 495.645 4.456 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 33458386 GICDFZYFYUSPKZ-NBVRZTHBSA-N 454.621 4.075 10 10 JICE COc1ccc(N2CCN(C(=O)CSCc3ccc(OC)c(Br)c3)CC2)cc1 58007078 ANHQKNOOXLQSEP-UHFFFAOYSA-N 465.413 4.048 10 10 JICE CN(C)c1ccc(/C=C2\C=C(c3c([N+](=O)[O-])cc([N+](=O)[O-])c4no[n+]([O-])c34)c3ccccc32)cc1 96096190 OQQTZZRHLVLGDQ-RVDMUPIBSA-N 471.429 4.330 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 210222534 JREVEWJVEMEACP-WQRHYEAKSA-N 451.485 4.360 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@H](C)C2 1349305721 ZFQKLFBLTQDWKS-GJZGRUSLSA-N 456.564 4.050 10 10 JICE CCN(CC)CCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166655 VEIYVTLKKKTPLR-RUZDIDTESA-N 492.664 4.065 10 10 JICE O=C(C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017906 YECGJAICPWJAMC-JOCHJYFZSA-N 489.487 4.069 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080002781 CPUBJQSQVRHRGI-KRWDZBQOSA-N 451.352 4.320 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2293039601 RPSCHYBLUOUJPD-UHFFFAOYSA-N 456.545 4.014 10 10 JICE COc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 2296154456 ATZMJKPCWSNEFS-UHFFFAOYSA-N 483.593 4.479 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2296704014 JPFOUYDFNQAIFX-UHFFFAOYSA-N 480.615 4.235 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCCCOC(C)C)nc12 2296731454 YOACKAVJRGBMTC-UHFFFAOYSA-N 474.652 4.087 10 10 JICE CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1OC 40888800 QVUCJISNWGKMIT-NVNXTCNLSA-N 488.425 4.257 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(O)=NC2=S)cc1 59109232 KAXIVRJSJQEKGC-GAASDFDMSA-N 453.564 4.354 10 10 JICE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 100148131 WMKRZUHPBYVTIQ-XDHOZWIPSA-N 486.347 4.163 10 10 JICE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1705708199 ZKFABPAIKFDFHY-NFBKMPQASA-N 453.631 4.282 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)sc(C)c1-c1ccccc1 1860747659 RICVQLSZGFLQNJ-UHFFFAOYSA-N 465.531 4.436 10 10 JICE Cc1ccc(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860750996 AZEFPQRBLWSPQL-UHFFFAOYSA-N 467.506 4.471 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029486 OKGBFSJPXUQUNU-HSZRJFAPSA-N 488.588 4.189 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869316836 WKLQNCYDLAJFPZ-NHCUHLMSSA-N 489.620 4.101 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c([N+](=O)[O-])c1 1873422016 BPEOAZZVXULHPW-UHFFFAOYSA-N 472.501 4.365 10 10 JICE O=C(CC1CCN(c2ccc(Cl)nn2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179827 RAIXGKAJCDAGLH-UHFFFAOYSA-N 460.921 4.151 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079047172 JFGKNVWJHPOGMT-CYBMUJFWSA-N 453.246 4.225 10 10 JICE Oc1c(Br)cc(Cl)cc1CNC[C@@]12CN(Cc3ccccc3)C[C@H]1CCO2 2175204265 YTOYKFHSDYBVCA-DYESRHJHSA-N 451.792 4.189 10 10 JICE C[C@@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2180737501 OQAVYEWIRMNAIG-FQEVSTJZSA-N 467.610 4.471 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](NC(=O)OCc4ccccc4)C3)ccc(N)c2C1 2264022294 UVOYUCSMLMBXRD-FQEVSTJZSA-N 480.609 4.457 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1cccc(C(F)(F)F)c1 2296565362 HLNILMYJVNOYMP-UHFFFAOYSA-N 487.409 4.391 10 10 JICE O=C1NC(=S)SC1=Cc1ccccc1OCOc1ccccc1C=C1SC(=S)NC1=O 2296908041 XSKOUVCDGQTWBO-UHFFFAOYSA-N 486.621 4.080 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297333750 MTNPACHTBZQUJY-UHFFFAOYSA-N 466.544 4.162 10 10 JICE CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 2297455755 OTNJYSPLIGAWFC-UHFFFAOYSA-N 474.348 4.460 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2297469082 SLLSVJQVWMEETP-UHFFFAOYSA-N 499.552 4.215 10 10 JICE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)ccc1Br 2297552207 WCBABGNVUUTKMZ-UHFFFAOYSA-N 482.334 4.420 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nccs1 2314486761 LXNAJHAEDJIQQM-UHFFFAOYSA-N 487.584 4.164 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5C[C@@H](C)C[C@H](C)C5)c(C)c34)CC2)cc1 10013174 MYJHESODKHVROL-ROUUACIJSA-N 479.650 4.453 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 16919531 MGVRAOHXXKNBKW-CPNJWEJPSA-N 459.545 4.353 10 10 JICE Oc1cccc(CN2CCN(CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1O 23326133 XNUWPGOUCKWTNQ-AREMUKBSSA-N 454.517 4.300 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)s1 39885911 JEODUOIGPHZBDR-RAXLEYEMSA-N 468.626 4.409 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)c2C)c1 96459430 OJBJNXRBYPZDRL-TWGBNTOESA-N 455.565 4.051 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 213172749 MRSYUMLXCBDQCL-RGEXLXHISA-N 481.599 4.341 10 10 JICE Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1C 1084241849 NJZGQKMOJMPXEA-GDNBJRDFSA-N 474.380 4.090 10 10 JICE CC(=O)N[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cccc(Br)c1 1144772824 KUVFDGPWHZIEIR-QFIPXVFZSA-N 458.400 4.179 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 1749859143 JAYMSAHSBFDQFT-OAQYLSRUSA-N 466.674 4.208 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1858589000 KWGDJDRRRVXGMN-CIAFOILYSA-N 484.599 4.064 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010877 PYZXTMLVTOHKHN-HXUWFJFHSA-N 482.968 4.109 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680266 IMMZZJBTEIDTIN-HFZDXXHNSA-N 463.622 4.049 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873166277 JUAWQWZBQOLKBQ-JOCHJYFZSA-N 495.583 4.019 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168802 JWUVMBNOTIXHRN-QFIPXVFZSA-N 495.583 4.019 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)cc3C)cc1C2=O 1873874369 RERWESQUMNHVOR-UHFFFAOYSA-N 471.465 4.182 10 10 JICE Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1C 2296552761 MSZXYSMSXCTPCA-UHFFFAOYSA-N 474.513 4.406 10 10 JICE COc1cc(C=CC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC 2297332702 NZSURHRVEXHEGO-UHFFFAOYSA-N 463.534 4.058 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)cc21 11857478 MPKNZCGLIMKTMQ-UHFFFAOYSA-N 463.968 4.400 10 10 JICE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066803 HLEVTBVHFLXHOZ-JMIUGGIZSA-N 496.614 4.000 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152224 MJUNYLZMHKBYMS-AQTBWJFISA-N 457.533 4.224 10 10 JICE CCOC(=O)c1c(NC(=O)C[C@@H]2SC3=NCCCN3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 64980974 CHVBTSJNPWXUMV-CJNGLKHVSA-N 477.652 4.108 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)CC1 1447712327 NEKQHLIJTXTTQC-UHFFFAOYSA-N 454.983 4.062 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865027458 YLXXWEZATIQPGN-HSZRJFAPSA-N 494.567 4.133 10 10 JICE CC[C@@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838378 AFZGYESCUMAFLG-MYYSRTQBSA-N 496.519 4.120 10 10 JICE Cc1c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2cc(Cl)ccc12 1866293078 QPFSHUCWCVWEHY-NRFANRHFSA-N 450.926 4.074 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](C)c3cccc(Cl)c3)C(C)C)CC2)cc1 1868996078 ZGJHFIFVLQCWJJ-DFBJGRDBSA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](Cc4ccccc4)c4ccccc4)n(C)n3)CC2)cc1 1869969514 OGTJIHNEGTVGOH-SANMLTNESA-N 496.615 4.115 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cccc(OC)c1 2297347443 NSHDZNWTLYKEHF-UHFFFAOYSA-N 463.490 4.002 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 2297352315 JRADGHUKJBSRPH-UHFFFAOYSA-N 487.697 4.263 10 10 JICE COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2297352436 IKBVBIUXYXUZKJ-UHFFFAOYSA-N 469.213 4.143 10 10 JICE COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)c2c1 2297500706 XFLXVDXTMSSHKP-UHFFFAOYSA-N 471.629 4.188 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 2313549019 LILGLLMNXUEOJC-UHFFFAOYSA-N 479.714 4.176 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1 2314769760 VBKCVZBGBAFWNR-UHFFFAOYSA-N 457.573 4.429 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(F)cc1 20154755 MWQUVMAPQHPCOV-WUVMMTAUSA-N 456.524 4.353 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S 33382731 CORPPCULFMWASH-XMHGGMMESA-N 458.653 4.337 10 10 JICE CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592458 YDDLXGKRUHHMNI-KOEQRZSOSA-N 491.613 4.022 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413193 JOWKGYQBGPXWQH-SFHVURJKSA-N 473.027 4.310 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226796287 QPEYKYRHPLSQGK-IMWIBFENSA-N 470.591 4.323 10 10 JICE COCc1c(Br)cccc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 726283329 BZJXKVNYTPQNHW-UHFFFAOYSA-N 484.394 4.300 10 10 JICE CCOc1cccc2cc([C@H](C)NC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)oc12 742947436 FNERNFLWEBSVPD-IBGZPJMESA-N 466.582 4.023 10 10 JICE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 792102998 VUPYIUQPUOQXEA-DEOSSOPVSA-N 488.540 4.085 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1 1084440008 JBUHPGPLULVHGS-XDHOZWIPSA-N 497.504 4.093 10 10 JICE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCn1cccn1 1705653675 MXRLLMKYWLIQCN-UHFFFAOYSA-N 459.623 4.052 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)ccc21 1860594802 NTAJNLKIQKFJJB-KPKJPENVSA-N 482.511 4.492 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(C)cc1 1860651401 MJMCCSHSBGRAJW-MOPGFXCFSA-N 470.591 4.175 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccc(F)cc1 1860758948 ONMAUPHCTWNELP-UHFFFAOYSA-N 472.513 4.476 10 10 JICE COc1ccccc1N=c1[nH]c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 1860824842 XVYRPDFMSBJOKR-UHFFFAOYSA-N 455.495 4.345 10 10 JICE COc1ccc(OCC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(C(C)(C)C)c1 1865924679 FCWNYSZCNOFMOY-XMMPIXPASA-N 450.583 4.077 10 10 JICE CCNC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1Br 2079185627 XUQGHHABOBYQRE-UHFFFAOYSA-N 460.172 4.187 10 10 JICE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 2084902413 CHVOQQJWNGUPPC-HNNXBMFYSA-N 455.571 4.380 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 2294133983 OXFLBOCUBPKVKD-UHFFFAOYSA-N 451.822 4.483 10 10 JICE C[C@@H](C(=O)O)n1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2294229430 SPYSCTQBKXIWMU-NSHDSACASA-N 488.352 4.425 10 10 JICE CCCCCCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 2296716932 HRBBWJLUABYFCD-UHFFFAOYSA-N 497.436 4.422 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 2313548645 AWHQJCFBPCSWDW-UHFFFAOYSA-N 480.860 4.363 10 10 JICE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2313617628 QPJBTKDTORPWCC-UHFFFAOYSA-N 472.975 4.334 10 10 JICE CN1C(=O)COc2cc(N3C(=O)C(=Cc4ccc(C(F)(F)F)cc4)SC3=S)ccc21 2318753312 CEHMOJOWAXVHRI-UHFFFAOYSA-N 450.463 4.466 10 10 JICE COCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 1793090 GNPNFRQZZKYMDJ-ISLYRVAYSA-N 489.416 4.214 10 10 JICE N=C1/C(=C\c2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356569 KSLSGPDZRXTGPD-QOSYYJRFSA-N 482.997 4.283 10 10 JICE COCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33511149 XJNQQBPUNOAKPW-CPNJWEJPSA-N 486.663 4.231 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152289 LSFDVRKHTCOUJS-SDXDJHTJSA-N 493.607 4.118 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 213163427 LZNXBRAYJRYCGY-IZQLPPHKSA-N 493.610 4.484 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 1084072107 AXBXGYWTIKLEPY-AQTBWJFISA-N 450.466 4.375 10 10 JICE CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1660573233 GULSITDGXBBQIY-OAHLLOKOSA-N 458.914 4.091 10 10 JICE COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860553633 MPOLTZIABVHSHP-UHFFFAOYSA-N 491.503 4.299 10 10 JICE CCCCc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)CC2=O)cc1 1865921505 KMPWMSYCGUBCAQ-NVQXNPDNSA-N 473.621 4.087 10 10 JICE CCN(C(=O)C(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1866213117 PJDOKDDTMMVKCH-RUZDIDTESA-N 464.654 4.475 10 10 JICE CCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3Cl)n2)CC1 1867979474 OJKQQVACFYLZKA-UHFFFAOYSA-N 493.055 4.274 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426302 SSEYYYHZOAJQSA-UHFFFAOYSA-N 491.555 4.128 10 10 JICE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S 2293727259 LFCDOPLAYAXLTF-UHFFFAOYSA-N 450.951 4.282 10 10 JICE O=C1C(=CNNc2nc3ccccc3s2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 2297616225 DNYLYZXKMQPPRY-UHFFFAOYSA-N 456.487 4.456 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 2313548635 ALVNQXZVJCQLKU-UHFFFAOYSA-N 461.430 4.147 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14547938 HQSCVUDHUIDMFA-UZINWLIJSA-N 462.571 4.393 10 10 JICE Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 33408399 DWCRUZQKPUPUEV-XDHOZWIPSA-N 464.616 4.472 10 10 JICE CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S 33459706 UDYCZHDFCWKRBN-PXLXIMEGSA-N 492.670 4.246 10 10 JICE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066992 BBTKWIVPJCSWLD-NDENLUEZSA-N 482.631 4.280 10 10 JICE Cc1ccc(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)o2)cc1 40322420 RNVZLLMTJCRFRU-JOCHJYFZSA-N 482.602 4.308 10 10 JICE Cc1c(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C 205773147 UWMPKBRGWHVHCS-XDJHFCHBSA-N 480.615 4.474 10 10 JICE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208272657 RWBUVAVOJUTFNZ-YBFXNURJSA-N 452.605 4.097 10 10 JICE CO[C@@H]1[C@@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(Cc1ccccc1O)CC2 208961310 XKFBPLXIEUPKSX-WUFINQPMSA-N 472.585 4.191 10 10 JICE O=C(Nc1cccc(C(=O)NCc2cccnc2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699825 YNHMPTMNCCLSMV-UHFFFAOYSA-N 476.492 4.431 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1083986248 SRXQGNXHPAUCHN-HZHRSRAPSA-N 450.498 4.368 10 10 JICE CC(C)CCOC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858845288 OWAMMAFLXIFNHN-UHFFFAOYSA-N 487.512 4.469 10 10 JICE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1c(F)cc(F)cc1F 1862344707 CISCPTPBFANWSG-UHFFFAOYSA-N 458.484 4.348 10 10 JICE CCc1sc(NC(=O)[C@H]2CCCNC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865973830 HTCXGXBXGCNFMY-ZDUSSCGKSA-N 451.386 4.465 10 10 JICE CC[C@@](C)(NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164805 WANQPFXRNVGQKL-MUUNZHRXSA-N 494.507 4.049 10 10 JICE CC(C)COc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867724645 DLOQNHIGWHRPPT-CUNXSJBXSA-N 494.680 4.249 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869971148 ZIAZIGFHLQWRLX-UHFFFAOYSA-N 468.989 4.241 10 10 JICE COC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870872940 GIVRIXQYSDQGSV-UHFFFAOYSA-N 487.560 4.043 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647733 IOSVFLVPWCOOHI-UHFFFAOYSA-N 482.032 4.050 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCN(C)C)C2=O)cc1 1873421169 KDOJQGHAXKECIY-UHFFFAOYSA-N 464.516 4.126 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047715 OELVGNMNPZRKPK-ZDUSSCGKSA-N 454.230 4.258 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079854037 DJLQHEQYKDNIPN-CYBMUJFWSA-N 466.197 4.033 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 2294279919 GKYICJPKQOVFQI-UHFFFAOYSA-N 483.889 4.348 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3OC)CC2)cc1 16891174 FVLPPZFQZGZKMS-KBMIEXCESA-N 465.619 4.447 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 585680174 HPKWTVYETMGINS-YQPPOHPYSA-N 458.970 4.125 10 10 JICE C[C@H]1CN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586716887 GUGDMNQSOFCIMN-CALCHBBNSA-N 483.524 4.355 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)N2CCCC2)cc1 1858908197 UMMCMXKTAFTFAK-UHFFFAOYSA-N 469.497 4.378 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862281364 PATMAERUPLOSPU-HHHXNRCGSA-N 451.611 4.240 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1868274541 DQLMTEPTXVQIDP-OALUTQOASA-N 499.615 4.103 10 10 JICE CCOCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164679 MZGWJTRNCYWNMA-UHFFFAOYSA-N 487.600 4.269 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873166088 BPWALHXWWSIJOO-RUZDIDTESA-N 485.584 4.022 10 10 JICE COCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419913 FIIFQOMIJUXQHN-UHFFFAOYSA-N 451.473 4.211 10 10 JICE CSc1ccc(C=CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2040426272 PRHZUHHZZNPNCW-UHFFFAOYSA-N 457.507 4.379 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080004795 ALULLKJNSMSQBY-GOSISDBHSA-N 482.318 4.255 10 10 JICE COC(=O)[C@H](C)N1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2297465449 GRECDUDMDXANTA-LBPRGKRZSA-N 472.975 4.020 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 2314507913 MRSYUMLXCBDQCL-UHFFFAOYSA-N 481.599 4.341 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OC(C)C 2314769765 VDXJGHACZRSQSD-UHFFFAOYSA-N 488.425 4.399 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)NCc1ccccc1 2314831357 JHCVRHUKSLYEAH-UHFFFAOYSA-N 491.432 4.453 10 10 JICE CCOC(=O)CN(Cc1ccccc1)N=Nc1cc(OCC)c(N2CCOCC2)cc1OCC 2330189188 WTISYGNSFATTJK-UHFFFAOYSA-N 470.570 4.385 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCc4cc(OC)cc(OC)c4)n3)CC2)cc1 8853577 LFLJAJWCFLGDOV-UHFFFAOYSA-N 499.658 4.353 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=N)N2N=C(Cc3ccccc3)SC2=NC1=O 32964448 VMJWEJOQKFCQMC-RIHJCCTQSA-N 486.513 4.256 10 10 JICE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33445639 YWDUOKCZOTXILP-DAMBIUFKSA-N 462.600 4.257 10 10 JICE CCCCOC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S 40888832 ZDXKMXIQEMVKHJ-GDNBJRDFSA-N 458.399 4.392 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310957 NRYATOMKBHVGFZ-URXFXBBRSA-N 472.651 4.133 10 10 JICE O=C1N=C(O)/C(=C/c2cccc(I)c2)C(=O)N1c1cccc(Cl)c1 59860122 MUXFVEWSDRBSFC-ZSOIEALJSA-N 452.635 4.451 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccc(C=O)cc3)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413217 PDQNMCPQBSAIAH-SANMLTNESA-N 457.530 4.330 10 10 JICE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 89267747 GADMRFJECPELOO-QDTGPSGXSA-N 480.546 4.109 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(Cl)nc4)c4ccccc34)[C@H]21 1860347522 SRONYWLVIIAJNL-VWLOTQADSA-N 471.948 4.475 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864010838 PLEODRKCAMDVKS-SPLOXXLWSA-N 496.995 4.499 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028469 VQIQLNFACVFXRR-RCDICMHDSA-N 494.979 4.341 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030447 JZBMBLDKOYMRQZ-QFIPXVFZSA-N 476.577 4.010 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033180 UFLGSBVQOXKSJL-DEOSSOPVSA-N 496.567 4.199 10 10 JICE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826457 YICFKXCFMSODSJ-CLJLJLNGSA-N 496.721 4.256 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1ccc(O)c(O)c1 1952823013 GHQJHCLAUXWJTP-GMAHTHKFSA-N 459.498 4.365 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106816669 QOLIQDXSLVPDMN-PUAOIOHZSA-N 458.603 4.056 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c1 2296707891 WBPPMPFJFQSSLI-UHFFFAOYSA-N 465.556 4.142 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 2296754943 VQZDOQUVCSGLIC-UHFFFAOYSA-N 485.656 4.264 10 10 JICE O=C1C(=CC=Cc2ccccc2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 2296808091 RLTNUYCFYLYJRG-UHFFFAOYSA-N 452.601 4.250 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 2297333829 YKRLEHJTQFDXBD-UHFFFAOYSA-N 470.532 4.227 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314397375 HKMSBSOKOGODQM-UHFFFAOYSA-N 497.381 4.297 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S 2314769755 UXUUQWDVTPMTCJ-SFHVURJKSA-N 458.517 4.196 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(-n4cccc4)cc3)C2=O)c1 2320656527 XQFNTPMZFLRRCJ-UHFFFAOYSA-N 463.584 4.117 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Br)cc2)N3)CC1 13638810 AEUPQYUTIVGIOW-QTEQDKRBSA-N 488.451 4.212 10 10 JICE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 16906489 RLQWYQRVYPKRGM-VIZOYTHASA-N 483.354 4.003 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 20154698 HBVKSXYPNPACGX-WPTKKBASSA-N 482.587 4.401 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459699 IMUMTELKXNZICS-FYJGNVAPSA-N 496.633 4.486 10 10 JICE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)[C@H]2CCS(=O)(=O)C2)cc1 39882998 YWMKINLGJKUFHI-QHCPKHFHSA-N 476.598 4.410 10 10 JICE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNCc3cc(Cl)cc(Br)c3O)O2)C1 708178291 ONAOYLWRBGHSSN-CQSZACIVSA-N 461.784 4.066 10 10 JICE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC(C)C)s2)sc(C)c1-c1ccc(C)c(C)c1 1860766881 BDHXKVCBYDNQLB-UHFFFAOYSA-N 486.619 4.176 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC(C)C)s2)sc(C)c1-c1ccc(F)cc1 1860767615 ZPAFNWUTZHBZSW-UHFFFAOYSA-N 490.582 4.088 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026859 BRWZZPCEGNMGBD-XMMPIXPASA-N 488.588 4.137 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028442 UZPRDJBBCYRTKY-PEBXRYMYSA-N 494.979 4.198 10 10 JICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865029509 PBWRGPHBXJVRBI-XMMPIXPASA-N 490.604 4.391 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031120 GGQXXYXIVQKNLJ-MRXNPFEDSA-N 467.351 4.288 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079041590 VOLJDOKDOBVJNV-CYBMUJFWSA-N 481.256 4.255 10 10 JICE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2cccc(OC)c2)SC1=S 2293117086 WLJWVUZUFBJSMK-UHFFFAOYSA-N 460.533 4.282 10 10 JICE CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S 2293239093 ZLCOIEQNSRYXEH-UHFFFAOYSA-N 473.554 4.217 10 10 JICE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 2294133776 JINBFGZHTIGAAV-UHFFFAOYSA-N 494.139 4.195 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)N1CCN(c2ccccc2)CC1 2296881330 ATEOONBJGLDOOF-UHFFFAOYSA-N 457.646 4.078 10 10 JICE CC1CCN(C(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)CC1 2314485655 AZDGYOIXOGIECT-UHFFFAOYSA-N 456.589 4.318 10 10 JICE O=C1COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc2N1 11857616 RYBHSMYGHJICFG-UHFFFAOYSA-N 456.332 4.249 10 10 JICE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1OC 16929896 MONWFWLQVYMGKU-UYRXBGFRSA-N 458.561 4.126 10 10 JICE CCc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C(O)=NC2=S)cc1 33319991 FSKQIVCGNJSIHC-DHDCSXOGSA-N 489.347 4.147 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)nn(-c3ccccc3)c2C)C1=O 59858349 MFWNJVMCCNIAIS-PDGQHHTCSA-N 494.349 4.139 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc5ccc(F)cc5s4)CC3)CC2)cc1 90503814 OEYITHDCFJRAIN-UHFFFAOYSA-N 454.571 4.009 10 10 JICE COCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)c(OC)c2)SC1=S 102679386 QUJDVEHVAHRMOL-UNUYMBNPSA-N 485.583 4.170 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 210497801 ILWJACHJFPHIIQ-MHWRWJLKSA-N 450.488 4.224 10 10 JICE CC(=O)c1ccc(CCNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 1597374811 HKWRFBOFHOORTA-XMHGGMMESA-N 458.630 4.291 10 10 JICE Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860587141 GNDWKEZDYQTRAT-UHFFFAOYSA-N 452.510 4.261 10 10 JICE COC(=O)c1c(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860627716 NLHUFMLGIFZEIR-FQEVSTJZSA-N 484.618 4.483 10 10 JICE CC(C)c1ccc(OCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826187 CGKYCZYBHKMFLP-DQRAZIAOSA-N 496.610 4.282 10 10 JICE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858700 OITFINWGZLVDAM-LBNVMWSVSA-N 481.637 4.077 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(C(C)C)c5ccccc54)nc(C)n3)CC2)cc1 1869295393 KWTVEAUUUWKVGY-UHFFFAOYSA-N 458.610 4.487 10 10 JICE CN(C)Cc1cc([C@@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952905648 GPQPBLDNAQMLFU-LSYYVWMOSA-N 472.541 4.087 10 10 JICE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 2294061188 KKHZJAXJTRDGRS-UHFFFAOYSA-N 464.453 4.243 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2296070773 BHALOHGXDQSXLQ-UHFFFAOYSA-N 487.516 4.476 10 10 JICE O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2297350435 POEHPNNUGWZVNP-UHFFFAOYSA-N 477.860 4.494 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934839 KUSKRGYFWINWKF-MRXNPFEDSA-N 492.619 4.140 10 10 JICE O=C(O)CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034354 HJFXFRPSNUTRMP-YVLHZVERSA-N 494.953 4.173 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc([N+](=O)[O-])c1O 38170151 FZVYSHDEMGTZAJ-UITAMQMPSA-N 468.274 4.287 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)cc2c1 38732834 AHTSMSCESLEOLI-STZFKDTASA-N 480.659 4.389 10 10 JICE CCOCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 40562487 SENKXEYRZNADAA-CYVLTUHYSA-N 457.621 4.008 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54311038 WZCXARFCJJOERX-DEOSSOPVSA-N 472.651 4.251 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc(-c4nnn(-c5ccc(F)cc5)c4C)nc3C)CC2)cc1 64998539 AGMCBISJFBQUOB-UHFFFAOYSA-N 492.580 4.118 10 10 JICE CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)C[C@@H](C)O4)n2)cc1 71555541 PIPCWMAVODKZEI-CQSZACIVSA-N 457.577 4.307 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4cccnc4)[C@@H]3C2)cc1 104916722 LCQQBSDQSFFKDT-NOZRDPDXSA-N 496.533 4.293 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 526160734 QJKXHNKWXNEVOX-XMMPIXPASA-N 491.496 4.334 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 747875329 YKXMICDJIFDBHC-UHFFFAOYSA-N 459.368 4.222 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 1086836276 GFMDBTNYNHKGRF-ZROIWOOFSA-N 479.584 4.364 10 10 JICE CCc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1ccc(OC)cc1 1858034376 OJHUSLGOYCBTTM-UHFFFAOYSA-N 457.577 4.309 10 10 JICE CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858591812 ATDDIKJNWSXMEM-KAQJVSAMSA-N 460.371 4.008 10 10 JICE CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860271937 BKDVJKYODBTUNO-IBGZPJMESA-N 464.562 4.179 10 10 JICE CC(C)(NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597724 ZMVYIWUVKHUHJF-UHFFFAOYSA-N 458.489 4.067 10 10 JICE COCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870488135 YGFVVSYKPANDRU-UHFFFAOYSA-N 491.632 4.021 10 10 JICE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2078981346 MELURVIBEZIURH-KRWDZBQOSA-N 454.308 4.411 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2296598248 OSMZAPSTSBMZLK-UHFFFAOYSA-N 497.326 4.239 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2297347667 RMZLTWBOIHXWFM-UHFFFAOYSA-N 468.853 4.286 10 10 JICE CCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S 2297357896 NOVPYEXGBJUOEC-UHFFFAOYSA-N 462.325 4.014 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 2331394739 SAXBPCRGEQLQKC-UHFFFAOYSA-N 480.572 4.254 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 20235930 USJYGHZTQAHCJX-GUOILJMFSA-N 498.333 4.366 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 38619345 UFYVCNKLCMXHLM-VWLOTQADSA-N 497.661 4.428 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CSc2nnc(N)s2)cc1 72413160 FSYKHIVKIFOYQB-GOSISDBHSA-N 473.027 4.310 10 10 JICE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 95959917 LMLIRURZCJOQHA-HZHRSRAPSA-N 485.613 4.324 10 10 JICE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1cc(Br)cc(Br)c1O 687811813 FZHCKPQZSJTTKI-HNNXBMFYSA-N 453.127 4.132 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3COCc3ccccc3)CC2)cc1 743294409 IAOKOFFYHYJVGX-UHFFFAOYSA-N 474.605 4.356 10 10 JICE COCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@H]1CCCN2CCCC[C@H]12 1614474203 AICFCMCEHWUVJT-CJFMBICVSA-N 468.638 4.399 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc4ccccc34)CC2)cc1 1862237206 JOMDMLBACQZUSL-VWLOTQADSA-N 477.630 4.049 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 2294118630 GYNWWNQVDJSHBY-UHFFFAOYSA-N 470.481 4.193 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c(OC)c1 2297454403 ZGKVVYVEEOUDNJ-UHFFFAOYSA-N 467.591 4.459 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ncc(Br)cc1Br 2297456111 CKRJMSROAZTNRA-UHFFFAOYSA-N 454.097 4.464 10 10 JICE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2297469664 FFKIHRROZPUYOW-UHFFFAOYSA-N 456.531 4.165 10 10 JICE CSc1ccc(Cl)c(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 10673776 ILHYANAOOMBRNK-GIJQJNRQSA-N 493.031 4.422 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 211948953 NPCHHPKURDAGEM-RCCKNPSSSA-N 468.600 4.492 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccc(F)cc1 1860758933 NWFJNIAPGASSPD-UHFFFAOYSA-N 470.522 4.303 10 10 JICE CC[C@](C)(NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862171628 MVDKSURCMYESJO-LJAQVGFWSA-N 495.664 4.314 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012172 TUMHIUYBIDBPDU-DEOSSOPVSA-N 490.604 4.269 10 10 JICE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)c1O 1865671918 HMOMZOSGNIYXAC-ATVHPVEESA-N 450.292 4.393 10 10 JICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)OCC2(C)C)n1 1868254606 VQPSQCUDPXJPQE-QGZVFWFLSA-N 486.572 4.188 10 10 JICE COCCCNC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCCC2 1871343562 USSRGNIOVQOORT-UHFFFAOYSA-N 450.626 4.119 10 10 JICE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873168520 YDEDWQAFDRMIFB-UHFFFAOYSA-N 462.638 4.438 10 10 JICE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1873546046 ZCATVABGBJZXHU-UHFFFAOYSA-N 464.614 4.049 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079880689 PYTHPEYMUMMYIV-ZDUSSCGKSA-N 451.255 4.357 10 10 JICE CCOC(=O)c1sc(N2N=C(C)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)nc1C 2296390155 VZUSYSUWOGNOEL-UHFFFAOYSA-N 494.367 4.214 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2296586586 PGWPLCKAJYHEBE-UHFFFAOYSA-N 452.875 4.130 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)C2=O)cc1 2297364483 RBUFTUGXHDQHGK-UHFFFAOYSA-N 458.445 4.274 10 10 JICE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1 2323686606 URAFGAMDYKRCDL-UHFFFAOYSA-N 459.401 4.042 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641804 XCTZBKXSXSHYCO-JXQFQVJHSA-N 450.535 4.011 10 10 JICE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 15046104 SZJGFHZZWGIJQH-VBYYMIJXSA-N 478.979 4.291 10 10 JICE COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1OC 20236739 OUWWWBONWMDTTJ-LQDTWPQUSA-N 467.865 4.027 10 10 JICE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 32961939 ZTIUOBNMKMKJRR-UHFFFAOYSA-N 495.601 4.138 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1I 33317775 HELLXNIWKZSSNU-DHDCSXOGSA-N 476.270 4.423 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 33480084 ZWUIVLYQZFSXGO-ICFOKQHNSA-N 488.635 4.143 10 10 JICE COc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c3ccccc32)c1 102447516 LZMLBRMRHRCLNF-RLRFCYPDSA-N 459.531 4.368 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cccs4)C3=O)c2C)cc1 248381483 TYOCZQQACUNYIT-DEOSSOPVSA-N 451.548 4.204 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)cc2)CC1 1638587062 JHTSLGUGWIEITL-UHFFFAOYSA-N 459.512 4.112 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 1862234573 YIMZUPKSDCMVBQ-QPLBDWIMSA-N 499.611 4.141 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868842153 KTOONJCUEVIBMR-FTJBHMTQSA-N 465.638 4.233 10 10 JICE CCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2053497073 VGSBNFMSZMMVOE-UHFFFAOYSA-N 490.654 4.375 10 10 JICE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2293110747 FCWJBDNAPCAOBX-UHFFFAOYSA-N 460.437 4.326 10 10 JICE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)o1 2294094880 BVILNHNOTCLVKE-UHFFFAOYSA-N 461.430 4.147 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 2296586616 XZVAVCSNKUWTLW-UHFFFAOYSA-N 490.512 4.025 10 10 JICE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 2297352881 VUCHSFACMSEBPF-UHFFFAOYSA-N 479.537 4.086 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 2314933317 ANXKGDGVXMGQHD-UHFFFAOYSA-N 487.599 4.391 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@H]2CC=C[C@H]32)CC1 14473101 KRIWCRHDUFGXDZ-QSAZIKIQSA-N 452.942 4.462 10 10 JICE COc1ccc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(OC)c1OC 96482643 QBLTUBKNNFVNNZ-SOPDNMILSA-N 468.560 4.222 10 10 JICE Cc1[nH]cnc1CSCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 96715617 LQKHOVWDPHLAOD-UFFVCSGVSA-N 468.966 4.407 10 10 JICE CC[C@@H](c1nn(CN2CCN(c3ccc(OC)cc3)CC2)c(=S)n1-c1ccc(OC)cc1)N(C)C 732416122 DESXRBIJFULNRQ-DEOSSOPVSA-N 496.681 4.213 10 10 JICE CCN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 1083950899 NKAMYUYSFRDVMN-UYRXBGFRSA-N 453.951 4.020 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 1084320990 BXDUERLPOGYLNQ-AQTBWJFISA-N 450.466 4.375 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCO[C@@H](C)C1 1705480605 WRCBVXCRALQLNN-GGAORHGYSA-N 474.653 4.311 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccc(F)cc1 1860344955 KDHDLYUHAJMQIS-UHFFFAOYSA-N 466.516 4.420 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864020205 WXVYFWJKAOKWOT-HXOBKFHXSA-N 490.604 4.131 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(C(C)(C)C)ccc3[nH]2)c2nccn2C)cc1 1866517635 BEMYJSNAVXJJAT-DEOSSOPVSA-N 457.578 4.145 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873165522 MPPZIAKYMJOZPH-UHFFFAOYSA-N 497.599 4.265 10 10 JICE CCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873554963 FCKGIZMUNZVVDG-UHFFFAOYSA-N 498.631 4.297 10 10 JICE CN(C)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873894768 YECWQWRGRFMABQ-UHFFFAOYSA-N 463.541 4.279 10 10 JICE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(N2CCOCC2)cc1 1951788119 ZKEQDVFAZIKTEB-MUUNZHRXSA-N 472.541 4.362 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(N)=O)c1I 2080023258 VYEWTPCTCCIXOG-CYBMUJFWSA-N 455.340 4.206 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)cc1 2294095690 YRDHWORDQMTGHU-UHFFFAOYSA-N 463.877 4.143 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC 2313549165 OPCSVZYBXMKBCQ-UHFFFAOYSA-N 473.323 4.140 10 10 JICE Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2313785481 WYZURRWSQYUGKJ-UHFFFAOYSA-N 476.489 4.237 10 10 JICE CC(C)COc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 9885627 XFSIKQIFWIMCIT-CIAFOILYSA-N 484.599 4.081 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCc3ccccc32)cc1 15780709 JYOWJPWLCCRWPO-XMMPIXPASA-N 456.011 4.488 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)ccc1OCC(=O)O 33448370 JGOFBDVZVBKOJS-XSFVSMFZSA-N 457.573 4.383 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccccc3OCCOCCOc3ccc(C)cc3)C(=O)N=C2S1 33726694 CZSRKQXWILUHQI-SGTPPTLOSA-N 478.574 4.499 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 38200566 LFLXHUWSWPVDAJ-FLJQVKMMSA-N 469.544 4.477 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N12 96450616 GVQDYZVTQOGZIW-INIXKHHFSA-N 453.505 4.113 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226648898 RNPAWDXGROARIG-YDIMBITNSA-N 452.551 4.305 10 10 JICE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 251987328 HWUHDGMZGWDNOQ-TVQWTUMOSA-N 476.573 4.199 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 917474317 YLLAJKLFLCXBBK-OAQYLSRUSA-N 460.977 4.427 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Br)cnc1O 920351330 GMPAJVGZEOMSCK-MDWZMJQESA-N 484.422 4.231 10 10 JICE CCN(C(=O)/C=C/c1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1858130842 PURNQPPZUMCVIQ-JOCSGSGBSA-N 454.514 4.162 10 10 JICE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858594186 ORLNFOBYSGGSKP-WNLSXJKCSA-N 466.353 4.485 10 10 JICE CCc1sc(NC(=O)[C@H]2CSCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866107383 KIGFXFUEHWNHPL-GFCCVEGCSA-N 455.399 4.128 10 10 JICE CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 2295356117 LWEFYZHORMLDHF-JLPGSUDCSA-N 457.530 4.293 10 10 JICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 2296710744 YILALMHIAAYXNG-KRWDZBQOSA-N 450.585 4.292 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314831620 OQHIRQMDVAFLDV-UHFFFAOYSA-N 470.572 4.189 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15047134 NBBJAHUQMDLNMT-CCNLRRDASA-N 454.573 4.400 10 10 JICE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N2O1 20236761 RNVCDIQGRULNMP-IFSHFEHQSA-N 468.307 4.357 10 10 JICE CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 27570111 GDNIQMMVDWFMHO-UHFFFAOYSA-N 488.565 4.135 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33436333 FXTLNZXNLAPPGW-XDHOZWIPSA-N 480.615 4.234 10 10 JICE Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1 102463862 PFEXZBVEUGDPBI-STVRALQESA-N 488.617 4.343 10 10 JICE O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 727040070 MUNGTEDULYACQA-UHFFFAOYSA-N 461.444 4.100 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861930026 NQIPBLKUPFBUPT-XMMPIXPASA-N 463.965 4.169 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865026782 AFOGEEQZOSLCAX-XMMPIXPASA-N 490.604 4.303 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867774347 CRIVFJVQFVTIIA-CLJLJLNGSA-N 464.654 4.385 10 10 JICE Cc1cccc(C2=NN3C(=N)C(=Cc4cccn4-c4ccc([N+](=O)[O-])cc4)C(=O)N=C3S2)c1 2297346701 URDMBRFTXKICJL-UHFFFAOYSA-N 456.487 4.361 10 10 JICE CC[C@@H](C)[C@@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580222 GIMAHZLTMPHYGX-AUUYWEPGSA-N 454.573 4.322 10 10 JICE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313560573 YGXRIFDBVBTHFA-UHFFFAOYSA-N 477.904 4.454 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401447 YTCCRLREHWSFKK-IAGOWNOFSA-N 486.663 4.008 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413836 IXKNXWMWCRXPRS-UHFFFAOYSA-N 471.007 4.490 10 10 JICE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1O 2314769987 XPCITLPTFPWFPV-OAHLLOKOSA-N 480.361 4.190 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 2314828410 TXVMVROHNSDRAZ-UHFFFAOYSA-N 467.450 4.454 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2314936313 XGWWTUOHJYOHHL-UHFFFAOYSA-N 495.485 4.132 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641129 BTWXQYVUVRCUKH-PNCHPQGNSA-N 458.580 4.227 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nccnc4Oc4ccc(C)cc4)C3)CC2)cc1 33168982 XYVSEJDOFMBIOM-QFIPXVFZSA-N 487.604 4.151 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nccnc3Sc3ccccc3C)CC2)cc1 33288988 MRTCGFBPXJMVHY-UHFFFAOYSA-N 466.632 4.386 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 33474147 APZFQOFLTWJPLF-QJOMJCCJSA-N 458.514 4.313 10 10 JICE CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54311048 OIWZATGICRUDJJ-HYBUGGRVSA-N 472.651 4.078 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 108757404 MVZQIOBRMIVJHK-GOSISDBHSA-N 461.522 4.134 10 10 JICE CC(C)CCN(C(=O)/C=C\c1cccc2cccnc12)c1c(O)nc(=O)n(Cc2ccccc2)c1N 821114395 LOFNVUUMGVIIPJ-YPKPFQOOSA-N 483.572 4.220 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019503 KNZKXBQETWWZQH-OAQYLSRUSA-N 494.979 4.253 10 10 JICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864021608 QMIILUKSEGNODH-QRQCRPRQSA-N 476.577 4.011 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032796 KUMPPQLNYAICSJ-MFEFFIJZSA-N 488.588 4.045 10 10 JICE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106841360 MVQGMRMKSNJQBQ-KRWDZBQOSA-N 460.619 4.255 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1ccccc1 2293311837 NFSJCGVMVIYDHV-UHFFFAOYSA-N 492.915 4.473 10 10 JICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12 2296348715 RCERAGLLOKCSRV-UHFFFAOYSA-N 473.460 4.114 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(SC)SC4=NC3=O)c2C)c1 2296968874 RTGWJWQKOIECOY-UHFFFAOYSA-N 455.565 4.051 10 10 JICE CCCOC(=O)CN1C(=O)C(=C2C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2297465430 CDNUGXNUFBZLNU-UHFFFAOYSA-N 466.584 4.066 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 33436497 CPRDPCGHWKYWHA-CPNJWEJPSA-N 486.571 4.022 10 10 JICE COc1ccc(N2CCN(Cn3nc(-c4ccncc4)n(-c4ccc(OC)cc4)c3=S)CC2)cc1 105120432 BXKKECLZFJSOAF-UHFFFAOYSA-N 488.617 4.262 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1ccccc1C(=O)O 1084158538 MMLRLTXSFBZNPJ-QGZVFWFLSA-N 450.436 4.292 10 10 JICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864014403 ULPBXHVHUSEAPX-XMMPIXPASA-N 496.567 4.362 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(OC)c4)cn3CC(C)C)CC2)cc1 1870607502 QABDQKZVVJADQH-UHFFFAOYSA-N 491.632 4.423 10 10 JICE CCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870666131 YPKKVVHVRKAXOA-UHFFFAOYSA-N 491.632 4.415 10 10 JICE COCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166292 KGXICRKCIIVMAB-UHFFFAOYSA-N 463.965 4.264 10 10 JICE O=C(NOCCCNCc1cc2c(cc1O)OCO2)OCC1c2ccccc2-c2ccccc21 1942703731 ITDWRILOHAGFHU-UHFFFAOYSA-N 462.502 4.071 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 2294095262 MJQUHJIPIMGTIL-UHFFFAOYSA-N 467.821 4.183 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 2294124598 BZDITCDJMDQMLD-UHFFFAOYSA-N 481.848 4.492 10 10 JICE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296711328 NGIMMHSTXGPSEJ-CQSZACIVSA-N 481.599 4.050 10 10 JICE COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc(OC)c1OC 8608767 HALUYBRGAADUKK-XMMPIXPASA-N 475.589 4.312 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1C 11857961 PYHAMOYILSKBGA-AWEZNQCLSA-N 473.576 4.346 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751716 NNEQDDYXUCMGDY-XMHGGMMESA-N 480.615 4.317 10 10 JICE CCC(=O)NCCc1c(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=S)N=C2O)[nH]c2ccccc12 38168970 RJCIAAGCGAPCEM-CPNJWEJPSA-N 478.549 4.043 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 39885914 CURANOTVBZGXND-KAMYIIQDSA-N 480.662 4.279 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCC2)SC1=S 39989986 MUNARRWLEHOXQH-RGEXLXHISA-N 458.653 4.430 10 10 JICE O=C1N=C(O)/C(=C/c2cc(Cl)cc(I)c2O)C(=O)N1c1ccc(F)cc1 59135005 HCACBWNVZRLOMN-SDQBBNPISA-N 486.624 4.296 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c1 526159621 YUAHGVKLHVUPPL-XMMPIXPASA-N 461.470 4.325 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526282182 RGOUQEQCDIBKDE-DEOSSOPVSA-N 473.485 4.439 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c(C)c1 727243801 YGNHMYUEDOWJSB-GOSISDBHSA-N 489.619 4.303 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@H](C)C2 1349305723 ZFQKLFBLTQDWKS-LSDHHAIUSA-N 456.564 4.050 10 10 JICE COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1 1616156262 XPMOPCUTJWKAAH-GVUKDKGQSA-N 459.638 4.129 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(C)cc1 1860651403 MJMCCSHSBGRAJW-RBUKOAKNSA-N 470.591 4.175 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862119183 FTYPSPJEYXBMMZ-UHFFFAOYSA-N 457.574 4.219 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865033983 MRLQVLTVHLYEDG-MRXNPFEDSA-N 482.503 4.066 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1869139446 XRGKCLCEUKYVRD-NBGIEHNGSA-N 491.611 4.480 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873168085 IPPMEAYYNKECPS-UHFFFAOYSA-N 462.638 4.438 10 10 JICE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421045 DCJHXGLPCDXBBK-UHFFFAOYSA-N 499.615 4.196 10 10 JICE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(O)cc1O 1951862551 CDVGAJABEAFHCY-HSZRJFAPSA-N 463.486 4.494 10 10 JICE C[C@H](c1ccccc1O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2124169602 RDTRGDKMMIZDST-BCHFMIIMSA-N 453.583 4.081 10 10 JICE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2234877780 FGEPANXMIAGZED-WWMYMODYSA-N 472.630 4.302 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716204 IUANQIQBGWOFIL-JYJNAYRXSA-N 456.637 4.177 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(O)c1 2313547887 FQYYZFLVDNREQI-UHFFFAOYSA-N 486.366 4.284 10 10 JICE NC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314538519 DFHPKCWWROLCFT-UHFFFAOYSA-N 451.485 4.360 10 10 JICE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314837901 YBDHWVNMLUCFMX-JTQLQIEISA-N 468.478 4.345 10 10 JICE O=C1N=C(O)/C(=C/c2cnc(-c3ccccc3)nc2)C(=O)N1c1ccc(I)cc1 1181767 BTQPZYACONNFIN-YVLHZVERSA-N 496.264 4.255 10 10 JICE CC(C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 1255284 STKFSTCELGJOPA-VHEBQXMUSA-N 471.991 4.305 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc(-c4cnc5ccccc5n4)cc3)CC2)cc1 35536852 KERILSXQMLKHIF-UHFFFAOYSA-N 454.530 4.033 10 10 JICE COCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)c(OC)c2)SC1=S 102679388 QUJDVEHVAHRMOL-UDTLAPRZSA-N 485.583 4.170 10 10 JICE CCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 102681938 NZOSLJZTDWCHRR-DYLQZCCESA-N 456.637 4.096 10 10 JICE Cc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 108613435 FZINIVUTTAJIBK-UHFFFAOYSA-N 461.381 4.060 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 108871619 LYLDCSRSAQJBRD-UHFFFAOYSA-N 452.558 4.365 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 254350675 NDHGMDHSANDEMQ-GEDGVXKFSA-N 470.664 4.485 10 10 JICE O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 750142043 CJAMVEBFLFODMO-XMMPIXPASA-N 467.529 4.192 10 10 JICE Cc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=O)N(c5ccc6c(c5)OCO6)C4=O)o3)[nH]c2c1 1084082111 UFLKWPMRZYIWIY-GDNBJRDFSA-N 488.481 4.011 10 10 JICE COc1ccc2c3c(n(C[C@H]4CCCN5CCCC[C@@H]45)c(=O)c2c1OC)-c1ccccc1C3=O 1565538599 YELDFPKLSCCGPR-UTKZUKDTSA-N 458.558 4.495 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5cccc(F)c5)cc4n3)CC2)cc1 1858147081 DCBCLPWMISHBIA-UHFFFAOYSA-N 471.536 4.384 10 10 JICE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860761400 UHXFLLAIVJZAQP-UHFFFAOYSA-N 460.596 4.388 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2)c1 1860869457 GVLMNHWWBSDUOK-UHFFFAOYSA-N 460.553 4.102 10 10 JICE CCCc1nc(N(CC)CCc2ccncc2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867975803 MNSVGJMBGISYTP-UHFFFAOYSA-N 460.626 4.228 10 10 JICE CC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679106 QKGQPXRAXLKBIO-MBSDFSHPSA-N 458.002 4.086 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419417 DFJGBSXUXOKDDS-QHCPKHFHSA-N 486.528 4.373 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cc(C)ccc3C)n4C)CC2)cc1 1873650515 NLEWBIRXOOHOPA-UHFFFAOYSA-N 470.577 4.173 10 10 JICE COc1cc(C(=O)NN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)ccc1O 2053497426 JTNLDPOCXWILIV-UHFFFAOYSA-N 455.344 4.254 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H](C4CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163171882 KWZLJLHQOIJYKE-QGZVFWFLSA-N 472.630 4.255 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc(F)c1 2293367011 WILMISFNWACLDH-UHFFFAOYSA-N 479.327 4.282 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2313559076 QINFMDGTJAUGEN-UHFFFAOYSA-N 462.550 4.131 10 10 JICE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15048268 FMSNWWQZVYXICQ-ATPAHOSSSA-N 470.572 4.050 10 10 JICE Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)no1 35638399 GPJYXMJLAGORKW-GXDHUFHOSA-N 466.382 4.366 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3Br)c3ccco3)CC2)cc1 38598221 PZUABVHXJUSSBG-QFIPXVFZSA-N 484.394 4.344 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)N[C@H]5C[C@@]4(C)Oc4ccccc45)cc3)CC2)cc1 101415830 VTSTYWHECDLJQV-ABYGYWHVSA-N 498.583 4.427 10 10 JICE COc1ccccc1[C@@H](NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C)c1nccn1C 106010131 PYHNDCYGOGXIMP-RUZDIDTESA-N 472.545 4.127 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C1=O 210754828 QVNHIVMZLCSNHL-MYVPOTEISA-N 460.621 4.376 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(Br)cc(Br)c3)CC2)cc1 392438546 VTZFLAQHJZXMSF-UHFFFAOYSA-N 454.162 4.183 10 10 JICE Cc1cc(C(=O)O)c(C)n1-c1cc(I)cc(I)c1 690346618 NUCXVADZTZHBNT-UHFFFAOYSA-N 467.044 4.002 10 10 JICE Brc1c[nH]c(-c2nnc(N3CCSCC3)n2CCCSc2nccs2)c1 1587550367 LREBOOLBCAFJBR-UHFFFAOYSA-N 471.475 4.228 10 10 JICE COC(=O)c1ccccc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860748451 FUDFFLWQOIPMSX-UHFFFAOYSA-N 480.542 4.491 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(-n4cccc4)cc3)c3ccccc3)CC2)cc1 1862264557 QNPAFRVWJGWTHN-MUUNZHRXSA-N 494.595 4.306 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCCC2)cc1 1865971362 WETRZKVPSHRUID-HSZRJFAPSA-N 458.647 4.043 10 10 JICE CC(C)(NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796656 JBUQGMNRXIGARL-UHFFFAOYSA-N 488.565 4.410 10 10 JICE CCC[C@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685191 ZOPZPOXAHIAOAW-FTJBHMTQSA-N 463.622 4.213 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1869139448 XRGKCLCEUKYVRD-NLFFAJNJSA-N 491.611 4.480 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164316 VUGDZGXGLJBXEV-UHFFFAOYSA-N 474.630 4.120 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc(O)c(O)c(O)c1 1952826542 ZRNLTLQODROXEE-WMZHIEFXSA-N 461.470 4.200 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079999744 LSKHXQGDQVWJBN-QGZVFWFLSA-N 455.340 4.174 10 10 JICE CN(CCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2120425421 RPZFTJCEOYWHOJ-UHFFFAOYSA-N 460.619 4.255 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 2295923781 XKZQZTHQIMIGLS-UHFFFAOYSA-N 481.599 4.050 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2296885330 PILCSXZJUSJLMT-GFCCVEGCSA-N 472.327 4.383 10 10 JICE CCSC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 2297499619 QBNVECSSVNJEGG-UHFFFAOYSA-N 466.544 4.244 10 10 JICE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)N(C)C)cc1 2323879780 FLHXPOQSBSGKLC-SFHVURJKSA-N 458.605 4.217 10 10 JICE COc1cc(/C=C2/NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl 6574757 VHOZTIROHLHBKT-OVCLIPMQSA-N 467.772 4.378 10 10 JICE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15044717 PQWRWMNRRKTVDK-KAMYIIQDSA-N 475.419 4.346 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356522 IRDBJOWAFCFDKV-JNCKMBBWSA-N 490.545 4.236 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33437841 RNBONAZXZLEELM-OBGWFSINSA-N 456.637 4.322 10 10 JICE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 33473092 OVIKIZFBQYEIDF-UDWIEESQSA-N 482.631 4.279 10 10 JICE Cc1ccc(CCN2C[C@H](C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)CC2=O)cc1 40325477 NAJJNOHDBVSNCP-XMMPIXPASA-N 459.590 4.274 10 10 JICE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 59498889 FWBKXSNCAFLNFZ-XKZIYDEJSA-N 478.549 4.375 10 10 JICE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453498 GZWQRMWJOQZOSK-WWOVWOHCSA-N 470.554 4.450 10 10 JICE Cc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 108735876 DPFHWTDOIAMPGU-UHFFFAOYSA-N 463.553 4.399 10 10 JICE CS(=O)(=O)Nc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 913098673 DDDRJRNJWLMCTL-NRFANRHFSA-N 463.519 4.218 10 10 JICE CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 1469105720 UMSOUXZEDFMDTO-LAUBAEHRSA-N 458.509 4.054 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028212 RRXALTUNEVXIRM-PEBXRYMYSA-N 494.979 4.341 10 10 JICE CCCCOCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170762 PMVWASAAAJNJKC-UHFFFAOYSA-N 492.664 4.065 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)cccc21 1874179147 PTYMFSMMVXIKSK-INIZCTEOSA-N 458.901 4.103 10 10 JICE CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)c1cc(Br)cc(Br)c1O 1951657074 JXWFOAKOWVIHMM-NSHDSACASA-N 453.127 4.348 10 10 JICE CC(=O)N(c1nc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cs1)c1ccccc1F 2040447604 VJSBTBWJMYQUSA-UHFFFAOYSA-N 465.553 4.033 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079047404 LBJDYHSPNCKTKV-CQSZACIVSA-N 466.241 4.402 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC 2297508177 GFAFTGPZYXWHNC-UHFFFAOYSA-N 472.588 4.429 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936102 VBCLWTKDVJJTQP-HNNXBMFYSA-N 487.555 4.462 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 39869929 KHDXDVZBKYODEC-VCHYOVAHSA-N 479.426 4.334 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152201 CWCMVHLEVVGFOH-YBEGLDIGSA-N 463.924 4.184 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCCc1ccccc1 206835053 HSIRFJQIWYCULH-LTGZKZEYSA-N 471.600 4.471 10 10 JICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084556018 DTQOTIYGOHZLBC-SANMLTNESA-N 497.620 4.018 10 10 JICE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNC(=O)c1occc1C 1705548179 YGZONLFALJSTEX-UHFFFAOYSA-N 470.577 4.144 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705897826 UVHFCBXCHQZPCJ-ZEQRLZLVSA-N 490.652 4.295 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)cccc21 1860604639 SPTHNLJVTQKQHE-UHFFFAOYSA-N 474.463 4.231 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865033850 IXIPACAKMVXULY-CXAGYDPISA-N 494.514 4.065 10 10 JICE CC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867281316 PDIWAFVAGIGMNL-NRFANRHFSA-N 492.535 4.308 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3c[nH]c4ccccc34)c3ccccc3)CC2)cc1 1868585603 RLESMRNOECCQRZ-LJAQVGFWSA-N 496.611 4.315 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(/C=C/[N+](=O)[O-])cc4)cc3)CC2)cc1 1872870754 QIRVYODBNVDWDA-CCEZHUSRSA-N 473.529 4.484 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873165353 JPDPUNCBLMARBZ-UHFFFAOYSA-N 476.646 4.020 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1c1cc(Br)cc(Br)c1O 1952607813 MOUVECAYUOKQQX-QWHCGFSZSA-N 450.171 4.317 10 10 JICE CN(C)Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079182236 NAGOWKTWNNRBAB-UHFFFAOYSA-N 493.189 4.341 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052771 PGJFNJFBENDJBE-HNNXBMFYSA-N 472.323 4.443 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1 2294010768 JCPPIZGWOPFUPY-UHFFFAOYSA-N 474.380 4.499 10 10 JICE Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2294095075 HPZAZQUFOIPSMZ-UHFFFAOYSA-N 496.498 4.394 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 2296183384 QYSCAORAIQFYCW-UHFFFAOYSA-N 467.525 4.314 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 2297347643 QHADZGBBPSNMHD-UHFFFAOYSA-N 496.317 4.436 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352635 IKFDBHPIZQCJIE-UHFFFAOYSA-N 494.533 4.316 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C1=O 2313624457 TWOABFUAIVJDEA-UHFFFAOYSA-N 496.361 4.273 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314836719 IYEHNNALVUSTTE-CYBMUJFWSA-N 458.561 4.028 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 20356695 YEYOVJHYUDXSBY-SMKDVUIYSA-N 476.606 4.126 10 10 JICE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 102863490 OMNUPQKYLKKSRU-LDADJPATSA-N 467.572 4.353 10 10 JICE CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)c1ccc(F)c(F)c1 108674193 LZKOHSLREAXFHZ-HXUWFJFHSA-N 476.321 4.352 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(CC(=O)O)cc2)C1=O 210494855 VKKRRDNGCNIDLZ-CTGWRUSHSA-N 452.557 4.100 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526511947 OKXVBQGXSQKUCY-VWLOTQADSA-N 490.512 4.439 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633923 WWLXWFOPRPUMBK-HSZRJFAPSA-N 463.486 4.489 10 10 JICE CSc1ncc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=NC2CCCC2)[nH]1 1866051603 CLFINVJBSMNVGM-UHFFFAOYSA-N 458.543 4.003 10 10 JICE CCCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548730 HHTGDMSDEGWPHW-OYRHEFFESA-N 490.652 4.295 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047714 OELVGNMNPZRKPK-CYBMUJFWSA-N 454.230 4.258 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 2297349894 LMCGFGOFJOZFDO-UHFFFAOYSA-N 487.468 4.157 10 10 JICE CCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2314508358 PKSDPDILILKGBS-UHFFFAOYSA-N 467.572 4.415 10 10 JICE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314836827 KTNCLWOIMJGNFF-AWEZNQCLSA-N 464.568 4.174 10 10 JICE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381129048 DPYZSIQMCKTAAL-AWEZNQCLSA-N 461.422 4.068 10 10 JICE O=C(CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 15038078 IKZMSXQINFKPCZ-WQRHYEAKSA-N 451.529 4.096 10 10 JICE O=C1N=C(O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccc2c(c1)OCO2 33248685 ILXXLVPRRICFPQ-RZNTYIFUSA-N 454.236 4.166 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33781526 GZLAEEWIKBXNMY-SFQUDFHCSA-N 454.552 4.057 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066652 SJRFCINRVMXKGS-ODLFYWEKSA-N 470.595 4.318 10 10 JICE CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(OCc3ccccc3)cc2O)CC1 1659286767 RQQGOXIGNPBPIL-UHFFFAOYSA-N 451.592 4.441 10 10 JICE CCOc1ccc(C(=O)N[C@](C)(CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542383 UPVWUJUKPNHLDJ-GGXMVOPNSA-N 494.680 4.393 10 10 JICE Cc1c(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)c(=O)n(-c2ccccc2)n1C 1872743887 REQAJFHKJMKUMX-UHFFFAOYSA-N 466.545 4.346 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873162361 RHRDSXNSDSJJJK-UHFFFAOYSA-N 488.607 4.097 10 10 JICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873419961 SEFOVZAJQGLPAU-JOCHJYFZSA-N 471.557 4.474 10 10 JICE CCOCCOC(=O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1874012314 HGQOXOTZQCDUDF-UHFFFAOYSA-N 482.492 4.160 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)CC2)cc1 1874747900 FNSQJOYTVOBWRR-UHFFFAOYSA-N 475.564 4.411 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296731466 ZFOFNOVYZRAQLN-UHFFFAOYSA-N 474.652 4.231 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313559543 ZQDVWCCPTJCLAM-UHFFFAOYSA-N 476.533 4.023 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)NCc1ccccc1 2314827903 OZCAJHULSYPDQO-UHFFFAOYSA-N 461.406 4.357 10 10 JICE C[C@@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314836273 CFDSSAQFKPUBJM-ZIAGYGMSSA-N 464.568 4.172 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cccc(SC)c4)n3)CC2)cc1 33309924 XYUBWMPXKJUQMZ-UHFFFAOYSA-N 481.647 4.265 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1cccc(Cl)c1 40940078 ORIJSXOZLREDAI-VGOFMYFVSA-N 469.769 4.354 10 10 JICE COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 727243229 XHHHAJKJAGQVSV-UHFFFAOYSA-N 468.940 4.068 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 1858074106 DDZYHIQKWQVVGR-NRFANRHFSA-N 466.445 4.021 10 10 JICE O=C(CCNCc1ccccc1Br)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860712631 IOLKNLHPAOPREU-UHFFFAOYSA-N 463.331 4.343 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)c1 1860900368 XZOLCSZYMQVKFF-UHFFFAOYSA-N 484.600 4.174 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864009140 AJQROIMZUKSXSN-FDDCHVKYSA-N 491.592 4.157 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865032320 AFXRMJSGRHWJDU-SBUREZEXSA-N 488.588 4.250 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865032321 AFXRMJSGRHWJDU-UZUQRXQVSA-N 488.588 4.250 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N2CCCCC2)cc1 1865977543 DRAUMAAZDNSRHZ-GGAORHGYSA-N 458.647 4.043 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1866060990 FFBQTCKSYSEWKK-GOTSBHOMSA-N 490.570 4.206 10 10 JICE CC[C@@](C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640598 ARBVNSKAAHHBED-HHHXNRCGSA-N 483.480 4.247 10 10 JICE CCCCOCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870434948 JFNPSXSVPLPIAX-UHFFFAOYSA-N 485.669 4.421 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3ccccn3)CC2)cc1 1870471064 QSWAGERQYKMYJG-UHFFFAOYSA-N 496.611 4.201 10 10 JICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873165222 JAJXSUXBEUWSSL-XMMPIXPASA-N 485.584 4.151 10 10 JICE CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017815 XNZGIOKOBZQUGY-OAQYLSRUSA-N 495.535 4.109 10 10 JICE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2196965156 PYBUEYIHTZZKFC-HFZDXXHNSA-N 474.646 4.191 10 10 JICE COCCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N(c2ccccc2)C1=O 2294516865 MBCUTFZKOFNDRW-UHFFFAOYSA-N 475.457 4.188 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 2296685636 OHPUEWGXKRYVOL-UHFFFAOYSA-N 451.482 4.365 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716240 OWJHAGOQAMBXCV-HOTGVXAUSA-N 456.637 4.178 10 10 JICE COC(=O)c1ccc(Oc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)c([N+](=O)[O-])c1 2297299304 WQFDRCTYWYCEOH-UHFFFAOYSA-N 460.489 4.013 10 10 JICE NC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314539432 SJVCPHCXGUXSMG-UHFFFAOYSA-N 451.485 4.360 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314836207 BMDJDPDQWKKNHU-ZDUSSCGKSA-N 457.533 4.222 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S)c1ccc(Cl)cc1Cl 16905854 LLUXWGDTOYVNRL-VGOFMYFVSA-N 453.328 4.238 10 10 JICE COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 20071413 UQCGEOSXXJDKNG-OFVILXPXSA-N 460.486 4.438 10 10 JICE Cc1ccc(N2C(=O)/C(=C3\C(=O)N([C@@H](C)C(=O)O)c4ccccc43)SC2=S)cc1Cl 33553105 WAKTUHGEJWAWOI-JCNXWTJJSA-N 458.948 4.244 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 35402912 AJMISMXTYVBQLD-VHEBQXMUSA-N 451.573 4.058 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2ccccc2F)C(C)C)c(OS(=O)(=O)CC)c1 37403559 FREDTPXVSWUBEC-UHFFFAOYSA-N 450.576 4.451 10 10 JICE CC(=O)N1CCN(Cc2cccc(NCc3cc(Cl)cc(Br)c3O)c2)CC1 1657802785 AGEFRWOADACSTO-UHFFFAOYSA-N 452.780 4.084 10 10 JICE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(C)C)N1CCOCC1 1705835349 HZGPFTMYVSJUGS-RUZDIDTESA-N 462.642 4.332 10 10 JICE O=C1/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1772721846 BQWIKKLWBZUZPJ-ROGNRHRKSA-N 469.609 4.135 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862151481 BUDAQKRHROGZGY-VZUCSPMQSA-N 476.404 4.259 10 10 JICE CC(C)COc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867696053 KIKFPAORFGVIQM-CUNXSJBXSA-N 494.680 4.249 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162529 ZZFFTBAEVJXNIJ-SANMLTNESA-N 499.611 4.194 10 10 JICE CN(CCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OCc1ccccc1 2005039134 DSNNWCJTCKIMJO-UHFFFAOYSA-N 468.598 4.267 10 10 JICE Cc1cccc(Cn2nc(I)c(Br)c2C(F)(F)F)c1O 2079186615 YMHZYNUQEMXWRW-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080002611 ACJGNXAFWGKLSD-SFHVURJKSA-N 482.318 4.255 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S 2296936034 VQTKYSQZNJSBED-HNNXBMFYSA-N 453.995 4.328 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297357580 IUXKOZFEBFXQPM-UHFFFAOYSA-N 469.993 4.401 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)C=Cc3ccc(Cl)cc3)C2=O)c1 2320656232 AQRUVARBRPLLCG-UHFFFAOYSA-N 458.992 4.379 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15036031 JBBIVSNOBUYXRR-ODLFYWEKSA-N 465.556 4.185 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Br 33317908 UXWWVCLTSVZWNI-LICLKQGHSA-N 491.388 4.408 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3c(F)cccc3Cl)c3ccco3)CC2)cc1 38598150 QTVGXYDPJDSSLO-OAQYLSRUSA-N 457.933 4.374 10 10 JICE COC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl 59135170 JOUUOUKARIHUNK-MLPAPPSSSA-N 467.236 4.191 10 10 JICE COc1cc(/C=C2/C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc(OC)c1O 59862277 IOMLUNMHANQVJG-NTUHNPAUSA-N 475.295 4.295 10 10 JICE C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728745647 HQFJDSAZCMXFQQ-MQSCRBSSSA-N 460.638 4.237 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCO[C@H](C)C1 1705480607 WRCBVXCRALQLNN-JTHBVZDNSA-N 474.653 4.311 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4ccc(Cl)cc4)cn3)CC2)cc1 1858432893 YFGSIOJMIQHRDR-UHFFFAOYSA-N 472.998 4.012 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866205020 RWHBPNQWZKNVAD-LEWJYISDSA-N 492.597 4.341 10 10 JICE CC/C(=C\C(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868664792 LMYPRBHPJGFGGH-WBLMUGCASA-N 479.621 4.131 10 10 JICE CCCCC1CCC(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C)CC1 1869969051 BRIZCBBOMGURGL-UHFFFAOYSA-N 454.619 4.085 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCOC(C)C)C2=O)cc1 1873164097 LVPVPTBKMRCEPQ-UHFFFAOYSA-N 463.603 4.450 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 2294262207 WXOZKPZVVQWGIE-UHFFFAOYSA-N 494.576 4.420 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1OC 2296885338 PTQYTOVFZHULNZ-UHFFFAOYSA-N 458.561 4.030 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N12 2297333757 OBDVHIVBUSNPLF-UHFFFAOYSA-N 466.544 4.244 10 10 JICE CCOCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 2314648173 SENKXEYRZNADAA-UHFFFAOYSA-N 457.621 4.008 10 10 JICE COc1ccc(OCCN2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)cc1 2323719318 HNEAILKIVASUEH-UHFFFAOYSA-N 496.404 4.452 10 10 JICE CS[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381137702 PTLHPCXJPGWDCT-WFASDCNBSA-N 461.422 4.066 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468779 HWJWYFDNCCGFGB-AJGMTHFWSA-N 462.546 4.356 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 20154708 AJPWBOQCTKUMJN-WPTKKBASSA-N 482.587 4.401 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(C)c(C)c3)ccc21 20730889 KNMQFXAXXXFFGC-UHFFFAOYSA-N 450.627 4.442 10 10 JICE CCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 39835808 UNQYSKZCTNYJMG-GHRIWEEISA-N 453.545 4.107 10 10 JICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 72413060 LMDCVTDZCXGIEU-XMMPIXPASA-N 457.530 4.330 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 104977773 JWFRXZWCAMTDAD-OQLLNIDSSA-N 481.677 4.361 10 10 JICE CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 108809541 BBELSFHVMNDSQG-XDHOZWIPSA-N 453.930 4.115 10 10 JICE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC1CCCCC1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248040862 KPTTYHMYCVRAGU-APSVEGKFSA-N 489.616 4.305 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 526286900 NVLSJAOGEUOPCD-QFIPXVFZSA-N 492.553 4.445 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862260098 ZLDJMVBLIZYUGM-OAQYLSRUSA-N 496.460 4.202 10 10 JICE CCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867824844 QCIZFQQOYJZIMV-FTJBHMTQSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)ccc5[C@@H]4C)nc(C)n3)CC2)cc1 1869292393 XPXINWIZIOZAPN-IBGZPJMESA-N 459.594 4.253 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873166625 DUTIAFFUEOIGRB-UHFFFAOYSA-N 451.530 4.003 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1C 2294235429 PAESNWPRGRLMSE-UHFFFAOYSA-N 474.498 4.230 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2ccccc21 2296712250 NSURCXYPKQZIHJ-UHFFFAOYSA-N 465.600 4.208 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313557860 NOZBIYAIDTWWLX-UHFFFAOYSA-N 481.867 4.251 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)c(C)c1 2314829286 VSCXYNCNARLFTO-UHFFFAOYSA-N 480.571 4.284 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C1=O 2314837317 QVNHIVMZLCSNHL-UHFFFAOYSA-N 460.621 4.376 10 10 JICE O=C1C(=Cc2ccccc2OC(F)F)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 2314937091 WMKWWPARVDVDDM-UHFFFAOYSA-N 492.569 4.295 10 10 JICE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc21 11857619 FZJJONRJFZLYEX-UHFFFAOYSA-N 470.359 4.273 10 10 JICE COc1ccc(N2CCN([C@@H](c3ccccc3OC)[C@@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15017543 OSXSRIQXSRMZQM-LMSSTIIKSA-N 485.584 4.292 10 10 JICE Cc1cccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1C 18248163 ISNFEBXDTOMVOD-UHFFFAOYSA-N 472.614 4.477 10 10 JICE COc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)ccc1OCc1ccc(Br)cc1 33333058 FFQOJOUTGBDWQW-DHDCSXOGSA-N 461.337 4.134 10 10 JICE CC(C)Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)s1 33413852 VWLBGKHIRHUEGE-MDWZMJQESA-N 497.465 4.339 10 10 JICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1O 40939945 NCHNZVPTJKWQDX-RIYZIHGNSA-N 499.795 4.363 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NC2Cc3ccccc3C2)cc1 206229272 ORFOPEKGERIMKA-NLRVBDNBSA-N 453.542 4.486 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 207316805 PSWNZFMBFKLHOF-GZTJUZNOSA-N 450.545 4.193 10 10 JICE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c(C)n1-c1ccccc1 746427874 ZLNNIHIAFGBUMD-SILNSSARSA-N 491.657 4.466 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)cn1 1860343488 DEEYEVCVQKEVEP-UHFFFAOYSA-N 455.905 4.261 10 10 JICE Cc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860918740 PKYMAHIYHHPNLY-UHFFFAOYSA-N 456.590 4.271 10 10 JICE CC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868721175 NWMPTHOFSKCMJZ-CLJLJLNGSA-N 495.664 4.386 10 10 JICE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873571495 PVWYFENOBIMHKM-UHFFFAOYSA-N 464.614 4.097 10 10 JICE CCOC(=O)c1c(C2CCC2)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080025630 RBSWORXLZTYLQQ-NSHDSACASA-N 470.307 4.255 10 10 JICE COc1ccc([C@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2080025835 SKIFMDUUHDNXSK-KRWDZBQOSA-N 456.324 4.207 10 10 JICE CCOC(=O)CSCCOc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC 2293582759 SPKSCISNPVKOLW-UHFFFAOYSA-N 454.548 4.176 10 10 JICE CCCC[C@@H](CC)COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819108 JKMCGPMYIWZPKS-MZNJEOGPSA-N 472.534 4.436 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2297348029 UAEKVZIWBMOOLX-OAHLLOKOSA-N 475.457 4.477 10 10 JICE CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 2297456064 TVQQODJUJOYLTB-UHFFFAOYSA-N 491.718 4.410 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33721686 OAHILRSADXOBLS-XMHGGMMESA-N 498.605 4.074 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 35638742 CWNOCJLIWRDJLY-XSFVSMFZSA-N 472.588 4.333 10 10 JICE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990023 AQDBQFNDCAGYLG-UNOMPAQXSA-N 458.653 4.284 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310955 NRYATOMKBHVGFZ-XUZZJYLKSA-N 472.651 4.133 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 59861111 KXVNIDFYOLDZIT-PXLXIMEGSA-N 474.488 4.118 10 10 JICE CC(C)(C)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 96347040 FIVXEMVFNOSVDG-UHFFFAOYSA-N 450.516 4.332 10 10 JICE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1Cl 102469065 RAKVTJZWRPPOEG-XMXHIQRUSA-N 451.895 4.400 10 10 JICE O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088687476 WNOCDFVYRQKETF-UJFYRASASA-N 473.519 4.354 10 10 JICE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)ccc21 1662564973 NUWSXZJPSDGNJD-GOSISDBHSA-N 457.640 4.005 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865036190 DBHJRGRKBUJDAZ-DEOSSOPVSA-N 496.567 4.316 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868681653 FDXTXEAQJIXFSP-UIOOFZCWSA-N 495.689 4.166 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2079024219 AABIYXCQEOAYDJ-KRWDZBQOSA-N 451.352 4.401 10 10 JICE COC(=O)c1c(C2CCC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2079986823 QWYLYVFGNHRXBJ-LBPRGKRZSA-N 454.308 4.474 10 10 JICE Cc1cccc(CNC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1O 2139757525 IXVFLOOJRNOPSP-SANMLTNESA-N 454.567 4.161 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@H](C(F)(F)F)C1 2163253817 LYMJJKXLCXTMEL-QWHCGFSZSA-N 453.299 4.290 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 2296731406 VCEFYXNPNPMOHI-UHFFFAOYSA-N 474.652 4.313 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548340 SRXQGNXHPAUCHN-UHFFFAOYSA-N 450.498 4.368 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2ccc(O)cc2)cc1 2313682852 MCCBDRFXBAYABX-UHFFFAOYSA-N 472.501 4.166 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 2314935524 PRJKKBIYSFPJOY-UHFFFAOYSA-N 478.498 4.216 10 10 JICE CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)NC1=S 6178172 SUIZDMHNXHAKPD-CXUHLZMHSA-N 492.351 4.022 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc2N(C)C1=O 11857494 UXVISFVMPQOSJO-LLVKDONJSA-N 494.392 4.117 10 10 JICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 208734419 YBBSMAIQUDEMKQ-JWGURIENSA-N 488.565 4.293 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526394728 UEXNVOGGURKNCI-XMMPIXPASA-N 476.485 4.131 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526566818 TWPIBPLHXMNSCU-QHCPKHFHSA-N 479.460 4.097 10 10 JICE COc1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)n2C[C@@H]2CCCO2)cc1 915795548 BJJXFKCEJLGCCV-DEOSSOPVSA-N 495.649 4.057 10 10 JICE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCCCCO)C1 1741028365 XICPNRIRRFNSQE-XMMPIXPASA-N 492.668 4.210 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013336 WFJXMZFLSACLAP-NRFANRHFSA-N 496.995 4.169 10 10 JICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864023532 ZZFZLOUKMBBGDE-KRWDZBQOSA-N 494.514 4.257 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867947692 UVNIWXSJHXXXLA-FGZHOGPDSA-N 473.621 4.016 10 10 JICE Cc1c(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)oc2c(C)c(O)ccc12 1874179320 YBUXAEIEIXPTDD-UHFFFAOYSA-N 453.450 4.072 10 10 JICE CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1892072053 QTUBXCOPYVFEPJ-UHFFFAOYSA-N 487.666 4.249 10 10 JICE O=[N+]([O-])c1ccc(N=NC(Cl)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 2059854829 SRWLWPXMRGDQJW-UHFFFAOYSA-N 479.923 4.476 10 10 JICE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106880415 JCWFHROTMUVRSL-IAGOWNOFSA-N 460.619 4.302 10 10 JICE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc2oc(=O)ccc2c1 2296885174 HCIGIXFATMZWKD-UHFFFAOYSA-N 456.932 4.286 10 10 JICE N=C1C(=Cc2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352670 KSLSGPDZRXTGPD-UHFFFAOYSA-N 482.997 4.283 10 10 JICE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 2297576929 YGUMCDYKBZEDIQ-UHFFFAOYSA-N 493.404 4.306 10 10 JICE Cc1ccc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2307454219 GAOGFCKFVKHPRE-GOSISDBHSA-N 493.398 4.189 10 10 JICE CCOc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934826 KNRVPXWZXHIZJO-GFCCVEGCSA-N 489.531 4.074 10 10 JICE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S)C(=O)O 15044977 WTMLIMXOWKHPBP-LSVCFVEQSA-N 462.637 4.335 10 10 JICE C[C@@H](C(=O)N(C)Cc1cc(O)nc2ccccc12)N1C(=O)/C(=C/c2cccs2)SC1=S 103040323 OICCTNKROGHVMO-FHNWIRHTSA-N 469.613 4.250 10 10 JICE O=C1N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N1c1cccc(C(F)(F)F)c1 254492745 JRPMUIJJHGRRBA-KJCUYJGMSA-N 459.428 4.139 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2ccc(Br)cc2)c1 920758624 UILRDAXDIXAZIT-DEOSSOPVSA-N 487.438 4.397 10 10 JICE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1468671079 XEJNQOIKXKYPQE-MTNREXPMSA-N 458.400 4.233 10 10 JICE COc1ccc(OCCN2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)cc1 1858586628 DZERHTGCKRDASP-CIAFOILYSA-N 454.573 4.476 10 10 JICE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858591814 ATDDIKJNWSXMEM-ZWSXMNCCSA-N 460.371 4.008 10 10 JICE CC[C@@H](C)OC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827248 VMJIUGLYCGEKDV-XWAFYUISSA-N 460.577 4.049 10 10 JICE CCC[C@@H](NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904432 DXTGSGIUTCOEIM-RUZDIDTESA-N 459.590 4.404 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011652 XDNMKEJKPZNBTD-RUZDIDTESA-N 496.567 4.499 10 10 JICE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868878696 SOHJCINIGFPHFM-SANMLTNESA-N 493.648 4.221 10 10 JICE NC(=O)COc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871116233 KFXBFVJYKOHJLZ-UHFFFAOYSA-N 486.547 4.450 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1[N+](=O)[O-] 1873422490 ZVVVHNVMTXQHAN-UHFFFAOYSA-N 472.501 4.365 10 10 JICE CCn1c(C(=O)Nc2cccc(F)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650707 RRARFVOBQMUCDL-UHFFFAOYSA-N 474.540 4.178 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(F)cc1F 1873885000 MQBAMCKIDXJLPO-UHFFFAOYSA-N 456.452 4.491 10 10 JICE O=C1C(=O)[C@H](N[C@@H]2CCCC[C@H]2N2CCCCC2)[C@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395920 RPXCZYQDQBXAET-NCXUSEDFSA-N 491.476 4.412 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c1 2124510994 BDHVHOODVGWITQ-LLVKDONJSA-N 471.299 4.411 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2124541047 OGSZGMUNLAQIJU-HYBUGGRVSA-N 457.575 4.379 10 10 JICE COc1cccc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1O 2130839600 UNMJPYNPNFGJCZ-UHFFFAOYSA-N 455.599 4.050 10 10 JICE CN1C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S 2294216926 QCURAKYCVKVGAX-UHFFFAOYSA-N 457.758 4.103 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O 2313631287 IUEJHBHRHVFKED-UHFFFAOYSA-N 459.502 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc5c(C)cc(C)cc5s4)CC3)CC2)cc1 9848235 RUUXZPLNHXLLBM-UHFFFAOYSA-N 464.635 4.487 10 10 JICE CCOc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38620039 ZWLSFSBDBAYDEY-XMMPIXPASA-N 464.566 4.372 10 10 JICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39989975 LBGLUIQNGYOHCA-JPVKTXQWSA-N 458.653 4.428 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54421817 LIFAJHRFMODJBH-NQIIRXRSSA-N 479.042 4.169 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC(C)C)[C@H]3C2)cc1 96458284 CVRMOWDAQZVOLM-JTHBVZDNSA-N 461.528 4.354 10 10 JICE O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 105349552 ZOACFOCCFNDGAK-SANMLTNESA-N 478.545 4.259 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 213173185 ZGSUHFJAXAHEMU-IZQLPPHKSA-N 493.610 4.484 10 10 JICE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 213175745 WZULWUZQVNDFNU-YZYPPFLQSA-N 479.583 4.175 10 10 JICE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 1084004931 VBOXOEBPUNDWIR-GDNBJRDFSA-N 473.323 4.140 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)cc1 1260940012 ARAREDZINHLYKY-UHFFFAOYSA-N 468.419 4.244 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4cccc(C(C)=O)c4)n4ccccc34)CC2)cc1 1858353330 MRXJYYASSRZLEF-UHFFFAOYSA-N 454.530 4.175 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Nc1ncccc1OCC(=O)OC1CCCC1 1858851490 HSPXATFVTPJEGQ-UHFFFAOYSA-N 485.496 4.366 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864009956 GOWJCTVXNPZYLC-JOCHJYFZSA-N 476.577 4.237 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865033686 GKWUAQVFVJHYHI-KRWDZBQOSA-N 496.530 4.312 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868003270 DATCXAZBLWGWGE-OYRHEFFESA-N 458.610 4.356 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873170255 SINMRXBVBXDKPB-XMMPIXPASA-N 479.621 4.149 10 10 JICE CCCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421672 KIKJJMHBMQYXAQ-UHFFFAOYSA-N 497.643 4.448 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)nc(O)c2)C1 1952863596 WHAGRIXJHALSSJ-OYHNWAKOSA-N 460.486 4.280 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl 2294124637 LGYSUCOKISLZBL-UHFFFAOYSA-N 451.822 4.483 10 10 JICE O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294199335 TTZPMUQVCIUTAR-UHFFFAOYSA-N 470.323 4.210 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)cc1 2297352641 IRKPEGLIETYEOK-UHFFFAOYSA-N 462.579 4.165 10 10 JICE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12 2297365095 GVXCKECVGKNWAM-UHFFFAOYSA-N 489.528 4.279 10 10 JICE CCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2314414894 QAKPOAFMAZFSJO-UHFFFAOYSA-N 464.616 4.269 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O 2314731873 GDFPCCWQKZHPPO-UHFFFAOYSA-N 466.334 4.267 10 10 JICE CCCOc1ccc(Br)cc1C=C1SC(=S)N(CCC(=O)OCC)C1=O 2314761237 QLMJMMWFCPAUAO-UHFFFAOYSA-N 458.399 4.392 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OC 2314764922 PECUSJUUKYROQW-UHFFFAOYSA-N 493.404 4.321 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 13644923 QPROIBKTPDKKGT-RHQSAMMMSA-N 453.608 4.036 10 10 JICE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOCC)C1=O 33780695 XZOOUMJAVRSLLD-SDXDJHTJSA-N 474.652 4.233 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)cc1 59250299 PHUGIWSTJRFYRS-ZHZULCJRSA-N 480.318 4.305 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)CCCOc3ccccc3)CC2)c(C)n1-c1ccccc1 62694179 PMUSGEBYTKCLLV-UHFFFAOYSA-N 459.590 4.280 10 10 JICE O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)cc2)cc1 96475857 RJAXMPLNHONVPV-JAIQZWGSSA-N 486.436 4.199 10 10 JICE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1544631246 XHHOAPCTDDMFFA-NTCAYCPXSA-N 452.448 4.405 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)[C@H](C)C1 1760607927 ZOKVSGOXIWEZQY-OAHLLOKOSA-N 477.059 4.294 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 1858590610 AQPPVGJVWAZSCV-DEDYPNTBSA-N 484.599 4.033 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2)c1 1860828795 NRIGWPJFVDSOOH-UHFFFAOYSA-N 474.580 4.031 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864016193 JIEQRPRLZUPTHQ-ZWDAVXSWSA-N 488.588 4.371 10 10 JICE CCOC(=O)c1c(NC(=O)COCCOC)sc(C)c1-c1ccc(Br)cc1 1866107825 KIFLQTNVRBLZPA-UHFFFAOYSA-N 456.358 4.264 10 10 JICE CCC[C@H](NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866889291 NANMHDJDISCFTI-QHCPKHFHSA-N 499.567 4.196 10 10 JICE CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867051482 BODHXFWZRFBAJW-BDTNDASRSA-N 452.510 4.099 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 1867956398 BDZISMPFEYZULC-UHFFFAOYSA-N 493.055 4.354 10 10 JICE COC(=O)c1ccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)c(OC)c1 1872852061 WATNJEJGAOUDQD-UHFFFAOYSA-N 490.556 4.032 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C=O)c1I 2079856870 VUCAXYRVUFFILQ-NSHDSACASA-N 454.186 4.033 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080005640 HUUPULNRMMKVLD-KRWDZBQOSA-N 452.336 4.353 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296540745 NDHGMDHSANDEMQ-BBWFWOEESA-N 470.664 4.485 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N(C)C2=S)cc1 2297560674 XLVXRDZHUPYWHX-UHFFFAOYSA-N 474.542 4.484 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 2313681978 RXYXIVJLNGHWOX-UHFFFAOYSA-N 468.966 4.322 10 10 JICE COc1ccc(OCC(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2OC)cc1 19855494 LCJKKTFGVMXCTK-UHFFFAOYSA-N 458.518 4.091 10 10 JICE Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 33773916 CGQLBERSBQHGHJ-VAXYQBTPSA-N 467.510 4.277 10 10 JICE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39991308 ZGXDMPSQWBUFMF-LIEIOVMRSA-N 488.679 4.053 10 10 JICE COc1ccc(N2CCN(c3ncnc(Oc4cccc5ccc(C)nc45)c3[N+](=O)[O-])CC2)cc1 40611146 HQLDYDKPBDQVFO-UHFFFAOYSA-N 472.505 4.369 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)cc4)n3)CC2)cc1 64919425 HFMHYZVWSUXJKP-UHFFFAOYSA-N 457.509 4.044 10 10 JICE Cc1cc(C)cc(N2C(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1 208734155 YRCDAHSZYRFMFS-IUXPMGMMSA-N 454.349 4.379 10 10 JICE C=CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 1295595846 YDRSGPCNBKMKLE-UHFFFAOYSA-N 454.574 4.428 10 10 JICE CCCC[C@H](NC(=O)COc1ccc(CCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862197085 JHSVWWPUUWFPEL-SANMLTNESA-N 481.637 4.050 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862295705 WPBUTCJFKCBLNC-HHHXNRCGSA-N 489.591 4.141 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)c(C)c4)n(-c4ccccn4)n3)CC2)cc1 1862347786 GNPJRZBZHUTHJL-UHFFFAOYSA-N 471.536 4.353 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864014244 QIOQLIFXQZXSDS-NRFANRHFSA-N 468.598 4.046 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025983 HDSLEGCZWYOFGP-QFIPXVFZSA-N 494.979 4.012 10 10 JICE C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925493 FPVZPELUOPRYIW-HTAPYJJXSA-N 475.008 4.007 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1[N+](=O)[O-] 1873960869 BZEJNBCZOMFNQJ-UHFFFAOYSA-N 495.495 4.130 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@H](C)c2ccc(C)cc2O)c1I 2079060177 FGKMNCKFOOLJPW-SECBINFHSA-N 450.223 4.225 10 10 JICE CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106883903 VWFZPEGANIESHJ-VWLOTQADSA-N 460.619 4.303 10 10 JICE CCOC(=O)c1c(NC(=O)CCN2C(=O)C(=Cc3ccco3)SC2=S)sc(C)c1C 2296885067 AEZSPZNSHQYYSY-UHFFFAOYSA-N 464.590 4.365 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2297336050 MYAUAPKQJAIKIO-UHFFFAOYSA-N 481.867 4.251 10 10 JICE Cc1[nH]c2ccccc2c1C=Cc1nc2ccc(I)cc2c(=O)n1CCCO 2297468577 XBOCAQGJOBUZCJ-UHFFFAOYSA-N 485.325 4.344 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S 2314650396 DRBZYNCSOCFVHH-CYBMUJFWSA-N 451.909 4.119 10 10 JICE COc1ccc(/C=C2/SC(=S)N([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 2695023 MVVPLIMUDGBURG-UWNXQOIWSA-N 492.500 4.247 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)c2C)cc1 22985402 JTIBBGQMVHACCR-UHFFFAOYSA-N 461.543 4.024 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54421821 LIFAJHRFMODJBH-GHTZIAJQSA-N 479.042 4.169 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCC5)o4)s3)CC2)cc1 65004488 BRSRQNOFYAVMBO-UHFFFAOYSA-N 459.593 4.190 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)c1 526561985 NRBKOHRDZUAGAN-JOCHJYFZSA-N 455.413 4.450 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)c2)CC1 1537423082 GXXDFZKPZCVWKI-UHFFFAOYSA-N 456.546 4.168 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccccc1Cl 1865679336 IAXYMUQKUWLMEC-QPEQYQDCSA-N 467.787 4.364 10 10 JICE CC[C@](C)(NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868843188 COPJBOWDUIVDKJ-LSYYVWMOSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(NC(C)=O)cc4)cc3)CC2)cc1 1872872619 FTUCHVWXNQNZCD-UHFFFAOYSA-N 459.546 4.195 10 10 JICE CN(C)c1ccc(C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1Br 2297499856 CAJBOXSEOFFZJL-UHFFFAOYSA-N 460.382 4.244 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N(C)Cc3ccccc3)nc12 1103699 ACWHWFWJXSFKHK-DEDYPNTBSA-N 478.643 4.497 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1C 11857964 VCHJAIZDOCACBY-OAHLLOKOSA-N 487.603 4.370 10 10 JICE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 20208623 KSCXZSMAQVGBDY-WKWHHHHXSA-N 476.967 4.247 10 10 JICE CCCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 33424347 RAWZYOAFIPDUIK-DZLJMLGJSA-N 498.586 4.272 10 10 JICE CCOc1ccc(NC(=S)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54430622 LTNAMLHNTSCVSX-JOCHJYFZSA-N 475.680 4.318 10 10 JICE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccccc4)cc3)C(=O)N=C2S1 102916512 DJMUQWWOMHLIQP-ANPZMJKASA-N 464.547 4.190 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526450130 ISDGSQBRTKBTRO-DEOSSOPVSA-N 463.486 4.489 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526507053 OSXDHUPADVHLFU-XMMPIXPASA-N 462.502 4.238 10 10 JICE Oc1c(F)cccc1CNc1cc(I)cc(I)c1 690363244 HRIKKLMQMNJXOI-UHFFFAOYSA-N 469.035 4.353 10 10 JICE CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)ccc21 1628679989 OMOSCLYXHYPYFI-UHFFFAOYSA-N 453.340 4.413 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3C)cc2)CC1 1632944530 BVOHTGFLVAPYTO-UHFFFAOYSA-N 457.574 4.173 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)c3ccc(O)c(O)c3)c3ccccc23)SC1=S 1860827085 QYMJWGNPDGKFEN-SRZZPIQSSA-N 496.566 4.001 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861961968 HSQLGQDETOVAGV-ZDUSSCGKSA-N 470.784 4.123 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864016875 ZIWWEENLVDNSAR-OAQYLSRUSA-N 476.577 4.372 10 10 JICE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1873549450 MZVUVRBJDNAXHF-UHFFFAOYSA-N 478.641 4.439 10 10 JICE COc1ccc2c(C)c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1OC 1874016567 GOORBUFHKWHPSP-UHFFFAOYSA-N 483.476 4.075 10 10 JICE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccccc1C(F)(F)F 2040495181 DJANOEMKVQGTDN-UHFFFAOYSA-N 480.489 4.065 10 10 JICE C[C@@H]1C[C@@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CN1Cc1ccccc1 2194863474 LLZQNTOIJODVDR-PIKZIKFNSA-N 464.654 4.456 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)ccc1Br 2294095526 VNWUNGBWUAVBQF-UHFFFAOYSA-N 464.113 4.186 10 10 JICE Cc1ccc(CNC(=O)CC(F)(F)CCNC(=O)OC(C)(C)C)c(O)c1Br 2380745481 JENUVCWOWIHVOP-UHFFFAOYSA-N 451.308 4.020 10 10 JICE O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 16922759 WMKWWPARVDVDDM-CYVLTUHYSA-N 492.569 4.295 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1 33557587 WZWAUMUEXHKTGB-NHOPXOSBSA-N 464.547 4.428 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2)cc1 39920682 QJWBVFDTAJFBFF-OAQYLSRUSA-N 465.351 4.427 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 213149457 RGUCSCGSOXJFLN-WRDGEJPTSA-N 493.610 4.429 10 10 JICE COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)C2[C@H]2CCCS2)cc(OC)c1OC 247872659 FJAQBYXWCLHQLR-JOCHJYFZSA-N 490.622 4.287 10 10 JICE Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1-c1ccc(C(F)(F)F)cn1 248089902 FJAMGVLZJAXXPE-OAQYLSRUSA-N 487.526 4.482 10 10 JICE CCN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 1084548826 BHSZACJKXNOVPJ-ATVHPVEESA-N 456.340 4.188 10 10 JICE COc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347494 RQZMVSRTLNDKMZ-MHZLTWQESA-N 466.541 4.436 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866565858 QFDIXQJEMYIUEI-RUZDIDTESA-N 461.905 4.048 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C(C)=C/c3ccccc3Cl)C(C)C)CC2)cc1 1868745852 XELOHSRIFYADRQ-VSRFVYNTSA-N 470.013 4.242 10 10 JICE Cc1cccc(Cn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)c1 1871116065 AXNNJCPJMKYTIZ-UHFFFAOYSA-N 468.557 4.425 10 10 JICE CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871310349 WHMRNXVWDRJRNM-UHFFFAOYSA-N 477.569 4.310 10 10 JICE COc1ccccc1CN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170939 XIFQRIISWNOIMG-UHFFFAOYSA-N 498.627 4.067 10 10 JICE CCCCn1c(C(=O)N(CC)CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554816 ZGFBFPQTKMOMTC-UHFFFAOYSA-N 464.614 4.049 10 10 JICE COc1ccc(CC(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874740422 DCSGKVCZBFFSMD-UHFFFAOYSA-N 488.584 4.247 10 10 JICE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080055346 DJSDZOBQWZREEN-MRXNPFEDSA-N 485.366 4.234 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)ccc(N)c2C1 2163172170 NMBJKAXSSJWULG-MSOLQXFVSA-N 472.630 4.255 10 10 JICE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194840857 BJZYZIJXMFWALZ-DENIHFKCSA-N 476.662 4.342 10 10 JICE O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2294199366 WXRSMOHUNWCOEP-UHFFFAOYSA-N 471.853 4.479 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468584 DCGHRDMORDGHOZ-UHFFFAOYSA-N 483.509 4.057 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)C(=Cc3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2297533671 FLJQZPRDISKKCC-UHFFFAOYSA-N 473.489 4.380 10 10 JICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c1 2314506855 GDGZNRCNUSOJOD-UHFFFAOYSA-N 495.582 4.088 10 10 JICE COc1cc(/C=C2/NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 6574755 ZJMBSWZYRICPCC-OVCLIPMQSA-N 467.772 4.378 10 10 JICE N=C1/C(=C\c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356702 AJCBALQYSYCLOZ-UHHWSGGGSA-N 487.994 4.134 10 10 JICE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 23190929 JONOARUWKWDPAU-LVZFUZTISA-N 476.627 4.129 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478237 WPVCPRIMWWRPLI-FYJGNVAPSA-N 496.658 4.305 10 10 JICE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 96460764 SJXIFNMOWFAXSI-VQQXQELJSA-N 483.619 4.050 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 101350330 VRJUEJWARYDMDB-UYRXBGFRSA-N 467.576 4.279 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 104896086 RFGXZYFKVKPJTK-VABKMULXSA-N 469.468 4.138 10 10 JICE CC(=O)N[C@@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)cc21 170549500 NVLCVKXGEJTVMR-QGZVFWFLSA-N 463.968 4.224 10 10 JICE CCCC[C@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862147189 OKTKSGBCJKIAOA-RLMNYEENSA-N 470.013 4.386 10 10 JICE Cc1ccc(S(=O)(=O)n2cccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865961070 PQWXUDQGPGGVEP-AREMUKBSSA-N 494.661 4.057 10 10 JICE Nc1ccc(Oc2ccc(NC(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866094993 HPKAZYFJVJJZMK-UHFFFAOYSA-N 480.318 4.448 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1 1868879072 UZUBMKIXTNHDIZ-FQRUVTKNSA-N 481.612 4.037 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)c3ccccc3)CC2)cc1 1868903620 OIKUSKLGRKUFPE-OYUWMTPXSA-N 469.585 4.005 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(Br)cc(F)c2O)C1 1952540013 YLOMBWDPDXMSNZ-GUYCJALGSA-N 452.276 4.468 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2080055841 LEULOOSHWKBWNM-KRWDZBQOSA-N 470.351 4.381 10 10 JICE CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106874952 XOFZVQMMIIGWME-QGZVFWFLSA-N 460.619 4.303 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(O)cc1 2294118637 HPQZIOKYORVXEC-UHFFFAOYSA-N 480.318 4.229 10 10 JICE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294199251 IPCSBTOQHPFXDL-UHFFFAOYSA-N 489.391 4.305 10 10 JICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2296777112 IMBZPAJQYQXPKQ-UHFFFAOYSA-N 464.821 4.102 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(SC)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 2297499403 AYQCLOQMDSGMAA-UHFFFAOYSA-N 484.534 4.383 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@@H](C)C(=O)O 2314934379 HHVUXIINJCUYOH-ZDUSSCGKSA-N 459.545 4.352 10 10 JICE COc1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 2331397242 ZFBWCUYYDZZOHN-UHFFFAOYSA-N 490.608 4.029 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)c1 1245196 XRGNJCTWNHEDJX-QZQOTICOSA-N 465.600 4.208 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 20236673 GGKSTFXIFKDAMG-XHJIMPDRSA-N 496.317 4.436 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 20356338 JVNLEUPCGAVLKT-YFGLPBLDSA-N 452.971 4.420 10 10 JICE COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccn1 33311603 NMOFYSVDPVOJDO-DHDCSXOGSA-N 451.367 4.263 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 33430032 QHJRZLKUTVTDBS-FOWTUZBSSA-N 476.649 4.365 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(C(=O)O)cc1 33436347 JNOYGUJBHMEBMU-DEDYPNTBSA-N 473.572 4.210 10 10 JICE Cc1cccc2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCOCC3)nc12 38732257 UIMRASAHYZVGSR-UYRXBGFRSA-N 451.573 4.374 10 10 JICE CC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 39891299 GKBQGFNQHNCCEV-UHFFFAOYSA-N 456.498 4.464 10 10 JICE Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 39920751 YHUUVAWLJASMKB-DEOSSOPVSA-N 464.953 4.391 10 10 JICE CCCCOC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40888849 QLYHFDZCRZROKR-ZROIWOOFSA-N 474.398 4.011 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 104602261 YMLIRNYKBZVDNZ-CXJFQJJYSA-N 492.557 4.278 10 10 JICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526565938 GHLJVFFOFNDXGL-DEOSSOPVSA-N 493.487 4.487 10 10 JICE NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)cc2)C1 726967200 IGUOORQXNULTEJ-MRXNPFEDSA-N 496.402 4.412 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1084373796 VACLHMXAEFWXEP-MHWRWJLKSA-N 454.797 4.104 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1 1860656962 BRVDBDIJMXQBMB-UHFFFAOYSA-N 455.736 4.103 10 10 JICE CCCOC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827408 XAWPOXBTRAXJDA-QCUKBLKESA-N 460.577 4.222 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868681651 FDXTXEAQJIXFSP-FTJBHMTQSA-N 495.689 4.166 10 10 JICE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2154541117 KWNYCWRHQOXXAT-RXVVDRJESA-N 451.792 4.331 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)ccc(N)c2C1 2163166268 XWKIZXZBMDGDLB-QUGAMOGWSA-N 472.630 4.255 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705072 MUSKAODZTZXALV-MRXNPFEDSA-N 456.637 4.239 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 2313548997 KXVNIDFYOLDZIT-UHFFFAOYSA-N 474.488 4.118 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1Cl 2313557531 FSGULMUGQQUEHH-UHFFFAOYSA-N 468.824 4.192 10 10 JICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314399665 BCIJSHGODJQHGZ-CALCHBBNSA-N 498.674 4.150 10 10 JICE CCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413988 MTTORCSCVCBVQW-UHFFFAOYSA-N 456.980 4.181 10 10 JICE CN(C)[C@H](CNC(=O)CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)c1ccco1 2314625241 RACLQKRDKHSREP-QGZVFWFLSA-N 478.039 4.334 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 14281162 GZBYZVLXNMQILV-RUZDIDTESA-N 484.556 4.320 10 10 JICE O=C1C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 15050836 USMIHXAVMHTUKK-CCAPLTMGSA-N 462.474 4.239 10 10 JICE COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc(I)c1O 24925982 XLYUENNLWKFCGO-DHDCSXOGSA-N 466.300 4.396 10 10 JICE CCCN1C(=O)/C(=C2/SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 39983396 OLKUGDSVQKOFQO-FOCLMDBBSA-N 469.426 4.204 10 10 JICE O=C(O)CCCCCN1C(=O)/C(=C\c2cccc(I)c2)SC1=S 40845915 FWVACUCEYRSCBP-JLHYYAGUSA-N 461.346 4.137 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)c1O 1473527651 IGQBIOFVNLXFME-RBBKRZOGSA-N 450.551 4.018 10 10 JICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864010482 UJJDYMNYXJITCX-JVFBZPOFSA-N 492.620 4.038 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017945 YYOAQKUVFHRNLY-HXUWFJFHSA-N 482.968 4.110 10 10 JICE CC(C)[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866965760 OHQCKXCVSLMFJI-MWTRTKDXSA-N 472.516 4.484 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981056 ATOZUPPKLULABI-QFIPXVFZSA-N 480.012 4.093 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515442 AGDVIWGVNPNLFN-UHFFFAOYSA-N 499.594 4.432 10 10 JICE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421401 VTXINHYCIMJMSN-UHFFFAOYSA-N 487.560 4.064 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)NC1=S 2053493631 BAYPANHOPVNOFK-UHFFFAOYSA-N 470.392 4.189 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079875779 ZGFCQBHZYFOOMD-HNNXBMFYSA-N 492.260 4.316 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080054754 VESUJDZRIXYEGY-QGZVFWFLSA-N 468.335 4.135 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Br)ccc2O)[C@@H](C(F)(F)F)C1 2163255264 WBEJEOICIPHZKY-OCCSQVGLSA-N 453.299 4.290 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1Br 2293253059 NJVSOOKHRYSMJE-UHFFFAOYSA-N 450.335 4.166 10 10 JICE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2294400610 SUVINFDNIYHIBK-UHFFFAOYSA-N 473.323 4.303 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OC 2296753572 FUMGREHIRJTPFD-UHFFFAOYSA-N 472.588 4.251 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314832013 XUZUZPCTCSWPIY-UHFFFAOYSA-N 476.963 4.364 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(c2ccccc2)CC1 35638446 YYUHFTUPBSABMB-HEHNFIMWSA-N 469.607 4.156 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 40567335 PROUAIIWSWQTHQ-KWZJRMENSA-N 464.546 4.262 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 210699809 USZAJGIXELINJO-XSFVSMFZSA-N 472.588 4.420 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526394727 UEXNVOGGURKNCI-DEOSSOPVSA-N 476.485 4.131 10 10 JICE C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586671938 PIMOBBMMOZJEOG-IAGOWNOFSA-N 483.524 4.355 10 10 JICE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1cccc(F)c1 1082768692 CCYGCUCIQZPXAS-HYARGMPZSA-N 474.517 4.462 10 10 JICE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)c(F)c1 1705678895 SYMCAQMKYYFWOT-IOKPGSKQSA-N 496.631 4.294 10 10 JICE CNC(=S)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860667893 NYAZGQXCPBDJPD-QGZVFWFLSA-N 459.637 4.282 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864008241 GNHWIIALKPDNAS-SSOJOUAXSA-N 496.567 4.223 10 10 JICE CCc1nc(N2CCN(Cc3ccccc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867957521 AKDHUJPENBDWQB-UHFFFAOYSA-N 486.664 4.005 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(n3cnnc3C)CC2)n1 1868275099 KWATUAOQKBJICO-UHFFFAOYSA-N 493.571 4.299 10 10 JICE CCOCCOC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871120848 QPRAHMCGSYHSNV-UHFFFAOYSA-N 465.550 4.182 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCC2)C1=O 1873167627 PZCSDOBVDXIEHV-UHFFFAOYSA-N 462.638 4.438 10 10 JICE COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n2)cc1 1891601418 WKVSEMYMSRPPCL-URXFXBBRSA-N 472.589 4.004 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079992938 LGRAZNIZOWGMLP-MRXNPFEDSA-N 456.280 4.023 10 10 JICE CN[C@H](c1ccc2c(c1)CCCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163149533 KRPHXNFDBXOHKQ-NAKRPHOHSA-N 464.654 4.499 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C1=O 2294280080 XYUWSZLPYKSYRW-UHFFFAOYSA-N 457.486 4.076 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2296881921 DNCAYABZEZBJTH-UHFFFAOYSA-N 470.572 4.491 10 10 JICE N=C1C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352857 GOOZLGFMHFHCGF-UHFFFAOYSA-N 495.992 4.470 10 10 JICE CCOC(=O)COc1ccc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 2297624463 QBZPQJJMMOITDU-UHFFFAOYSA-N 473.323 4.206 10 10 JICE COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](N(C)Cc1ccccc1O)CC2 14712618 GIMKKBXYBJRFFI-FQEVSTJZSA-N 463.530 4.270 10 10 JICE biogenic CN(C)c1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 35559164 LAMKYFXKUMDWJW-RUZDIDTESA-N 498.048 4.401 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(C)sc4c(=O)n(C5CCCCC5)cnc34)CC2)cc1 65297767 NDVOUKDQNXKHPZ-UHFFFAOYSA-N 466.607 4.243 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 1084149088 KXVNIDFYOLDZIT-JCMHNJIXSA-N 474.488 4.118 10 10 JICE CCS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCO)C[C@@H]3CCCO3)cc2C)c([N+](=O)[O-])c1 1615944270 HFHUPSAJMSZGFN-FTGFMQHASA-N 476.555 4.090 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864016455 PLKYZQIJAILHQV-QHCPKHFHSA-N 496.567 4.301 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(N4CCCC4)cc3c2=O)N2CCCCC2)cc1 1866469236 DXZFLFWMJUNYTQ-MHZLTWQESA-N 487.648 4.151 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914185 BPMZKIVGRGWZQF-IZZNHLLZSA-N 494.680 4.393 10 10 JICE CCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)CC1 1867981076 BHGJJAKJYPDHQX-UHFFFAOYSA-N 493.055 4.274 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981077 BIXIRBJJLHPJNZ-FQEVSTJZSA-N 494.039 4.341 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680267 IMMZZJBTEIDTIN-LVXARBLLSA-N 463.622 4.049 10 10 JICE COC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287564 QDWZONUESSXOBQ-UDWIEESQSA-N 484.599 4.348 10 10 JICE Cc1ccc(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166169 FHNLIKOZWGLFPI-VWLOTQADSA-N 469.585 4.451 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228069 CLMQLWDVCBGJEJ-JOCHJYFZSA-N 470.554 4.450 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 2296724101 PAIAQMWMUDDICG-UHFFFAOYSA-N 456.637 4.385 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2296849510 FPRBNZNZXKHHHQ-UHFFFAOYSA-N 458.653 4.487 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 2297346159 IFYYBDMFDMJSMX-UHFFFAOYSA-N 496.401 4.022 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 2297616117 GSGUWBWZAZAPHU-UHFFFAOYSA-N 462.889 4.419 10 10 JICE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314741008 RRHZAMPEMKGUTK-SNVBAGLBSA-N 474.398 4.009 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCC(=O)O 2314931109 CIKVDOFWGIDAIR-UHFFFAOYSA-N 457.529 4.157 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4F)c(OC)c3)C(=O)N=C2S1 3864216 BZRRLRWIGHZDLP-SOJZRWRVSA-N 452.467 4.083 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccco2)SC1=S 208271518 RPYMNUAFZGUUPN-HVOBPNNYSA-N 456.593 4.253 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)sc(C)c1-c1ccc(F)cc1 829988755 BOKCTENMARRECF-OYHNWAKOSA-N 462.568 4.432 10 10 JICE Cc1nc2ccc(NC(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)cc2[nH]1 1860345263 YGMMKFFGBFYUAW-UHFFFAOYSA-N 474.524 4.398 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864007781 UZFBWDIHQGABDW-GYCJOSAFSA-N 482.540 4.164 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866565155 YJNYDOSLLWVQHG-HXUWFJFHSA-N 475.932 4.438 10 10 JICE CCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870621751 ZZZLALXFEWEHGY-UHFFFAOYSA-N 465.569 4.307 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871604659 LHDICRYXRWEUGH-UHFFFAOYSA-N 489.668 4.403 10 10 JICE CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650218 MHWBCBJQFFCUGD-UHFFFAOYSA-N 486.576 4.047 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NCc1c(O)cccc1Br)CO2 2160177028 IFHLBNNDQVSZCE-GOSISDBHSA-N 475.383 4.205 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](CNCc2cccc(Br)c2O)(C(F)(F)F)C1 2167677175 XALVADVBPFVZJK-QGZVFWFLSA-N 453.299 4.434 10 10 JICE COCCCN1C(=O)C(=Cc2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296715340 PHSRTIKWDYPMME-QGZVFWFLSA-N 494.642 4.414 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)cc(Cl)c1O 2297331253 APJSTXGPISYTTQ-UHFFFAOYSA-N 456.079 4.128 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 2313570679 CUEYAXFCEGZGAW-UHFFFAOYSA-N 473.323 4.140 10 10 JICE CC[C@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330537071 BFDNRZWUQJRKOD-QFIPXVFZSA-N 476.404 4.259 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694591 QBUJIRXAUJGLES-UHFFFAOYSA-N 467.972 4.456 10 10 JICE COCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S 254797057 HABIWRZTZHOUSE-BOPFTXTBSA-N 488.396 4.270 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526513479 ZNNZWMHSVAMOJJ-VWLOTQADSA-N 490.512 4.439 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3sc(-c4ccc(F)cc4)nc3C)CC2)cc1 729605493 BWVHLFOIJTWFLG-LJQANCHMSA-N 497.640 4.449 10 10 JICE CC(C)COC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858856686 ZRAWOCHZZDXUOC-INIZCTEOSA-N 487.512 4.468 10 10 JICE CCCC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861945119 KYSPLANPCSYXSQ-AREMUKBSSA-N 465.638 4.268 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018840 RVMHKIDVNVHPKO-NRFANRHFSA-N 496.995 4.025 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4C)cc3)CC2)cc1 1872715992 FKIYNRVLKZBCEX-UHFFFAOYSA-N 452.576 4.094 10 10 JICE CC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179452 FIYNZBSCXJDRNN-QFIPXVFZSA-N 469.541 4.110 10 10 JICE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cc(O)nc(O)c1 1952534240 DLOPZRIWIFCYOY-NRFANRHFSA-N 462.502 4.152 10 10 JICE O=C(OCc1ccccc1)N1CCC(F)(CNCc2ccc(Br)cc2O)CC1 2042863057 BEGCBXQOXGFVMI-UHFFFAOYSA-N 451.336 4.385 10 10 JICE CCN1CCc2cc([C@@H](N)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106848598 KOHFGGCTIVWTMY-SHQCIBLASA-N 450.627 4.238 10 10 JICE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2198094213 YDPKQWCOWHXDPB-QUGAMOGWSA-N 472.630 4.446 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl 2293559181 HGSUBUKWNDKVMP-UHFFFAOYSA-N 450.834 4.273 10 10 JICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1F 2296709477 XLTVGWJFFRORGR-UHFFFAOYSA-N 483.546 4.363 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 2297298434 WSJKTGJDXPXOEY-UHFFFAOYSA-N 457.442 4.149 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c1 2297470524 XRTACTYMNKEZAX-UHFFFAOYSA-N 475.530 4.372 10 10 JICE CC(C)C1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=O)N=C2S1 2297499719 XTPGVXYLCYOPLA-UHFFFAOYSA-N 488.978 4.383 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831370 JOLJPJIHPNIZDT-UHFFFAOYSA-N 472.504 4.123 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314837393 RVCHQUCCVBDAOC-CYBMUJFWSA-N 488.587 4.037 10 10 JICE COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4cccc(C)c4)s3)=NC2=O)cc1 2314952273 YYNIBNFYYRUSLE-UHFFFAOYSA-N 497.627 4.090 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5C[C@H](C)C[C@@H](C)C5)c(C)c34)CC2)cc1 10013175 MYJHESODKHVROL-QZTJIDSGSA-N 479.650 4.453 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15040195 JOLJPJIHPNIZDT-ATVHPVEESA-N 472.504 4.123 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 20236559 WPWLLNOSUKJARY-MPWNYDSGSA-N 477.517 4.229 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3oc(=O)c4ccccc4c3-c3ccc(C)cc3)CC2)cc1 63737037 NVYQQDIIUOWCMH-UHFFFAOYSA-N 497.595 4.329 10 10 JICE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSc1nccs1 1705586965 CWWRLTUYEWJADX-SFHVURJKSA-N 486.667 4.062 10 10 JICE CCC[C@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107913 PEMTYNDSFPDRBS-DEOSSOPVSA-N 491.636 4.017 10 10 JICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015019 IBGYHVSYWJZECW-IERDGZPVSA-N 476.577 4.227 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864020103 WEVUCZZIBBIPQU-FQEVSTJZSA-N 482.968 4.110 10 10 JICE CC[C@](C)(NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597832 RLJDVGBRXICCJL-NDEPHWFRSA-N 472.516 4.457 10 10 JICE CCCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548853 MEJALIXYKSYUFV-UHFFFAOYSA-N 476.625 4.193 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079874141 ZTJPQLGRJFDSSG-CQSZACIVSA-N 480.249 4.172 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc(C34CC5CC(CC(C5)C3)C4)cc([N+](=O)[O-])c2O)SC1=S 2297578087 NDIPHFOTILUNBJ-UHFFFAOYSA-N 474.560 4.054 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nc(-c2cccs2)ns1 2297748633 ISHUIXPSIYBZGF-UHFFFAOYSA-N 458.615 4.497 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(C=C[N+](=O)[O-])cc4)cc3)CC2)cc1 2321337038 QIRVYODBNVDWDA-UHFFFAOYSA-N 473.529 4.484 10 10 JICE O=C1N=C(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)S/C1=C/c1cccs1 943759 KXKOYBWJPGQWAQ-LFIBNONCSA-N 452.388 4.483 10 10 JICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)cc2N(C)C1=O 11857779 BCVHKDWWDMJLBM-VIFPVBQESA-N 455.970 4.070 10 10 JICE Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 62694745 BQMUCTRTZLARPR-UHFFFAOYSA-N 483.609 4.039 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413252 NFDVEAACUPQZST-AREMUKBSSA-N 457.530 4.330 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 102464971 AYQCLOQMDSGMAA-MGGLCJOQSA-N 484.534 4.383 10 10 JICE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCCSCc3nc[nH]c3C)C2=O)cc1 102661105 MXEDLBYTGNDYIL-PTGBLXJZSA-N 461.591 4.275 10 10 JICE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210705716 DASXZZBBXJETBD-XDJHFCHBSA-N 470.572 4.051 10 10 JICE C[C@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1ccc(Br)cc1 1858688204 UZZQJIXNSGZFNL-ZDUSSCGKSA-N 471.311 4.443 10 10 JICE COC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccc(C)c(C)c1 1860748905 NDLRRTVJQLEJJD-UHFFFAOYSA-N 464.543 4.491 10 10 JICE CCOc1cccc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1 1860900601 GFWOIEUORAJWHD-UHFFFAOYSA-N 472.589 4.366 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864017272 IZPLTJNFMSTZCA-OSPHWJPCSA-N 496.567 4.418 10 10 JICE CC(C)OCCOc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870990625 ZEGLHMHTLBWDMH-FQEVSTJZSA-N 451.567 4.389 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Br)c(I)o1 2293250201 KNCVXOQUWAUPHE-UHFFFAOYSA-N 457.065 4.453 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1 2294956826 JRPXZVXATHVNCB-UHFFFAOYSA-N 455.923 4.362 10 10 JICE Cc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)s1 2314486649 AMABYAJWTIZYPV-UHFFFAOYSA-N 468.585 4.270 10 10 JICE COCCNc1cc(N2CCN(c3ccccc3OC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612300 CFFMLYUOOSWGKE-UHFFFAOYSA-N 484.556 4.433 10 10 JICE CCCCCc1cc(O)c2c(c1)C[C@H](O)c1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 13376478 UYRCIENQUKZJJU-IBGZPJMESA-N 460.482 4.274 10 10 JICE biogenic,in-vitro CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OC(C)C 40937888 VDXJGHACZRSQSD-GDNBJRDFSA-N 488.425 4.399 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 59382543 FTGGWTNJLUIKFI-VJBWXMMDSA-N 469.468 4.138 10 10 JICE CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 109184465 OBHKJTIETZWOGQ-NBGIEHNGSA-N 465.638 4.453 10 10 JICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(C(=O)OC)c1 205958909 UZBBPIZAMBSVQY-HAVVHWLPSA-N 469.497 4.397 10 10 JICE CN(C)c1ccc(/C=C\CN2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 210960643 NDDXVURGLVBLMH-MGJYPMPXSA-N 464.585 4.128 10 10 JICE CCCC[C@H](CC)COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 725239032 JKMCGPMYIWZPKS-WJIQBDILSA-N 472.534 4.436 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 1858594291 SSJZFABYKDOEIF-TYSUYXETSA-N 457.573 4.381 10 10 JICE CCCOc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1860714220 REPVLAHOBHALFR-UHFFFAOYSA-N 472.541 4.378 10 10 JICE CC[C@H](NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862093986 XLENZQYJXFEKOJ-DEOSSOPVSA-N 497.599 4.096 10 10 JICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014273 QXEUECLYXZZUAC-QHCPKHFHSA-N 496.567 4.417 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028650 XIOKOTRFXRJIJK-HOZJOUCCSA-N 488.588 4.099 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3cc(Cc4ccccc4)ccc3[nH]2)c2nccn2C)cc1 1866552431 DQHHWAYBINZUGA-MUUNZHRXSA-N 491.595 4.438 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979729 VSPZRTBHMVCYJE-HXUWFJFHSA-N 480.012 4.093 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858702 OITFINWGZLVDAM-LEAFIULHSA-N 481.637 4.077 10 10 JICE CCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870381307 KWRHIGCEBIDICD-UHFFFAOYSA-N 495.595 4.316 10 10 JICE COC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870870998 UEJHOKFTROZJFW-UHFFFAOYSA-N 470.529 4.199 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccco3)C2=O)cc1 1873165290 GJUGRYULWKQVIR-UHFFFAOYSA-N 461.562 4.372 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2079024320 BJKIBEZDXVIGIN-KRWDZBQOSA-N 452.336 4.435 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(CO)c2I)cc1C 2079843186 DUVZDQGHTJMEJI-OAHLLOKOSA-N 450.267 4.485 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CNC(=O)OC(C)(C)C 2106844864 WYRNUQUGSUPNLF-SJORKVTESA-N 460.619 4.159 10 10 JICE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2296757687 VXXYKCMQVHEYKN-UHFFFAOYSA-N 470.319 4.093 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(CCC(C)C)C3=O)cc2c1 2314650435 GUGXEZXFOGILTJ-UHFFFAOYSA-N 482.675 4.492 10 10 JICE CCCC[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328565943 JDHHFWOSNHWFPQ-XMMPIXPASA-N 470.013 4.386 10 10 JICE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10913905 OEGNGEHONGIWPS-SANMLTNESA-N 496.535 4.398 10 10 JICE C[C@@H](NC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15038825 JLHKWQYPYBKZGR-KELUXRKGSA-N 464.568 4.174 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310950 NRYATOMKBHVGFZ-ZJSXRUAMSA-N 472.651 4.133 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2ccccc2C=O)cc1 72413329 YVUISRAZCAQRFC-DEOSSOPVSA-N 472.501 4.230 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3/C=C/c3ccccc3)C(=O)c3ccccc3C2=O)cc1 251459343 GOJDSTQWDOJIIA-HAJXHHKXSA-N 463.489 4.031 10 10 JICE CC(=O)N1CCc2cc(S(=O)(=O)N(CCc3c[nH]c4ccccc34)c3ccc(N)cc3)ccc21 1857992467 SZDJKBBJEMLPDT-UHFFFAOYSA-N 474.586 4.097 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(F)c(F)c4F)CC3)cccc21 1860596831 UPKAHZFTABNXPW-UHFFFAOYSA-N 492.453 4.370 10 10 JICE CC[C@@](C)(NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107384 MUOZVSOEQNBQPD-MUUNZHRXSA-N 491.636 4.017 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864020663 FEGJSNPGASAFTJ-HSZRJFAPSA-N 490.604 4.100 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(OC)ccc4OC)cc3)CC2)cc1 1872884314 QJBJWTAIPCWMSW-UHFFFAOYSA-N 461.562 4.287 10 10 JICE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCc4ccc(N5C[C@H]6CC[C@H]5C6)cc4)cn1c23 1890949751 XRBJTWWQKSLSNC-HFTRVMKXSA-N 465.500 4.152 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2124541048 OGSZGMUNLAQIJU-RDPSFJRHSA-N 457.575 4.379 10 10 JICE CC(C)(C)OC(=O)NCC1(NCc2ccc(F)c(F)c2O)CCN(Cc2ccccc2)CC1 2130842750 BVMQCTKWAFWSDP-UHFFFAOYSA-N 461.553 4.320 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC(F)(F)C1 2184235041 UOHZDAIPQPYYTG-OAHLLOKOSA-N 482.572 4.301 10 10 JICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c1 2296546490 ZRFAFULLKAYIEL-UHFFFAOYSA-N 460.559 4.241 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1C 2297350553 LBECLQROHCCHTM-UHFFFAOYSA-N 471.469 4.457 10 10 JICE COc1ccc2cc(CCNC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)[nH]c2c1 2297580105 PCJYSQJPWVHJIY-UHFFFAOYSA-N 471.629 4.188 10 10 JICE CCCOc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC 33596694 SYPZDBBOCLYZAV-BOPFTXTBSA-N 454.479 4.004 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 59370998 UBUMKEATTIOZFX-UNOMPAQXSA-N 458.561 4.151 10 10 JICE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 102704457 VWFLZDYHOSDOSK-NBVRZTHBSA-N 472.636 4.065 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)o1 103366383 STQJWFUIIRABQK-GZTJUZNOSA-N 484.262 4.087 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)N(CCF)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586257225 XJMXKFZASYIIIQ-UHFFFAOYSA-N 467.518 4.414 10 10 JICE CC[C@@H](C)[C@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606671944 GIMAHZLTMPHYGX-XPVJOUGZSA-N 454.573 4.322 10 10 JICE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 727995980 REVJMVTXIFEHRZ-UHFFFAOYSA-N 461.905 4.230 10 10 JICE BrC1=CCCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)C1 1507510196 AQBYTUVUZKYZSH-UHFFFAOYSA-N 463.430 4.468 10 10 JICE CC(=O)c1cc(Cl)cc(CN(Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O 1618410054 WRQIXTRRVRLYJF-FGZHOGPDSA-N 474.985 4.231 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1cccc(F)c1 1860345224 VKPYFPNUKAQIRL-UHFFFAOYSA-N 466.516 4.072 10 10 JICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864016020 HGMWQMYCIXFGIZ-QHCPKHFHSA-N 496.567 4.126 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970496 LJXYQKTXZXBLKV-XNTDXEJSSA-N 474.609 4.329 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873164739 PTSDOSGWGRNPIF-UHFFFAOYSA-N 462.638 4.438 10 10 JICE O=C(O)CCc1ccc(O)c(O)c1OC(=O)C=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 2296563258 HAUVLEZZRILLRH-UHFFFAOYSA-N 492.436 4.264 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2296885328 PFAFRTNVAFOOKN-LBPRGKRZSA-N 471.434 4.095 10 10 JICE CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)[nH]c2ccccc12 2296935758 DHRJCOZCWPPSIT-UHFFFAOYSA-N 472.545 4.026 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1)C(=O)O 2314929618 PEQOXUNUAZHAII-KRWDZBQOSA-N 459.545 4.352 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OCC)cc4)n3)cc21 11858058 LUUPJDCETXNMNO-UHFFFAOYSA-N 473.576 4.145 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N12 96450465 DXSSORQEDLWNSS-ZKEXVTLTSA-N 452.561 4.392 10 10 JICE COc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1 110473295 MMFMHQDSHAIXCD-QGZVFWFLSA-N 462.516 4.111 10 10 JICE CCOc1cc(/C=C2\SC(Nc3ccc(C(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 210469431 NBKIXGGLCOJPHO-MOSHPQCFSA-N 454.504 4.224 10 10 JICE O=C(Nc1c(Br)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1859552361 NTRXUSLSKNIMNJ-UHFFFAOYSA-N 479.286 4.196 10 10 JICE Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)ccc1N(C)C 1860602917 JRVDHMDCXKXLSR-UHFFFAOYSA-N 495.579 4.327 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(Cl)cc1 1860757946 CRFDCYNXFSAKKQ-GTNSWQLSSA-N 480.970 4.108 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)OC3CCCC3)c3ccccc23)SC1=S 1860826751 LTCVSUXCTKQYJU-XDHOZWIPSA-N 472.588 4.193 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3Cl)CC2)cc1 1861912420 QJLADZNGRKOKEQ-VWLOTQADSA-N 495.982 4.178 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865033372 YGXJMDYIOGEPDM-FQEVSTJZSA-N 482.968 4.062 10 10 JICE CCCC[C@H](NC(=O)C[C@@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867254907 VGZBODNMUFOACZ-JTSKRJEESA-N 462.546 4.035 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905710 YQHWGXUUFSNBKK-LBNVMWSVSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987714 VPTUQHDARSGPCA-UHFFFAOYSA-N 490.627 4.148 10 10 JICE C[C@@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868564131 MVLNEDPCURYJPI-QGZVFWFLSA-N 477.524 4.283 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C(C)=C/c3ccccc3)c3ccccc3)CC2)cc1 1868748007 FGQPXVCZJTVTII-BZNVDEBGSA-N 469.585 4.305 10 10 JICE CCCCOCCCN1C(=O)C(NCCCOCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169456 BCATZYYUPVAVTP-UHFFFAOYSA-N 481.637 4.397 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc2c1C(=O)N(Cc1ccncc1)C2 1874180633 ICSJNUMUSMGXHT-UHFFFAOYSA-N 473.488 4.265 10 10 JICE CN1CCCc2cc([C@H](CN)N(Cc3ccccc3)C3CN(C(=O)OC(C)(C)C)C3)ccc21 1881471229 CEEADWWUXCSQIM-VWLOTQADSA-N 450.627 4.190 10 10 JICE COc1ccc(O)c([C@@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2140603530 QXBXOFRUWVODHX-CTNGQTDRSA-N 455.599 4.173 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2294133703 BGUSARWCNPDMMR-UHFFFAOYSA-N 477.860 4.494 10 10 JICE COc1cccc(C(=O)Oc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347724 XDYHBTCBACDVKD-UHFFFAOYSA-N 467.865 4.027 10 10 JICE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314769930 XDDLUOUYQLZDJJ-INIZCTEOSA-N 464.362 4.270 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(OC)cc2OC)C1=O)C(=O)O 2314934116 YAKJCFSHCACTML-INIZCTEOSA-N 459.545 4.352 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 1792596 OYELAKCKFJSWAV-CFTDAYSMSA-N 468.556 4.267 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C)c(C)c3)c3ccc4c(c3)OCO4)CC2)cc1 17052562 NAJOVABORZPBBQ-SANMLTNESA-N 487.600 4.334 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)c(C(=O)O)c3)CC2)cc1 33006998 YLXLNADSOYJZHT-UHFFFAOYSA-N 495.601 4.138 10 10 JICE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1F 33247571 IUMRDDLVNIVOCY-HYARGMPZSA-N 478.480 4.218 10 10 JICE NC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)c2ccccc21 33417025 SADMANPJFDITJB-AUWJEWJLSA-N 473.341 4.105 10 10 JICE C=CCN(CC=C)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 33880889 SJQLTXYUYXJWLJ-QURGRASLSA-N 477.611 4.449 10 10 JICE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066906 BGLSXTFRRRAMHI-ZHZULCJRSA-N 466.632 4.314 10 10 JICE Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59182225 VPAZHKFJMINVIW-LDADJPATSA-N 467.551 4.089 10 10 JICE O=C(O)c1ccc(S(=O)(=O)O)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1c1ccccc1 83326066 ZVETYNQGPSOVQI-XDHOZWIPSA-N 482.901 4.119 10 10 JICE CN(C)c1ccc(CN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CC(F)(F)F)cc1 728904159 IBTJTXXMLDXYBL-OAQYLSRUSA-N 488.432 4.084 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCSc2nccs2)[C@H](C)C1 1749852905 WQHUXOMXOJICAH-CQSZACIVSA-N 495.049 4.434 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858592825 YNAMSIJQFHYRDS-FUXXUDPSSA-N 482.352 4.191 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017944 YYOAQKUVFHRNLY-FQEVSTJZSA-N 482.968 4.110 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028444 VDAAROKGLJAHQA-FPTDNZKUSA-N 494.979 4.341 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2Br)N2CCCCC2)cc1 1866135039 GGBSWBAQZZDXFL-OAQYLSRUSA-N 460.416 4.237 10 10 JICE CSCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905650 XVWGGUFYWRCWOD-IZZNHLLZSA-N 496.721 4.256 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164387 ZMGRDFSZYMHSBJ-UHFFFAOYSA-N 486.616 4.433 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccn5)ncnc4n3CC(C)C)CC2)cc1 1875212443 ZQZDVLALPOXUDK-UHFFFAOYSA-N 499.619 4.065 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079952159 DSHGLNAUTIVVIF-KRWDZBQOSA-N 453.324 4.032 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccccn1 2296881562 OKALBFNBYPZPMQ-UHFFFAOYSA-N 462.394 4.464 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S 2323809322 ZSULEWUMBKEOAH-HNNXBMFYSA-N 453.463 4.308 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11858065 OCRUODXOIMWCDY-UHFFFAOYSA-N 459.549 4.037 10 10 JICE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33445640 YWDUOKCZOTXILP-ORMOWBNMSA-N 462.600 4.257 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812061 QEUQPTHVRPUYML-IXGURIBZSA-N 478.643 4.203 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(OC(C)C)cc3)c3ccco3)CC2)cc1 38598164 XJLRDVPEEAOESU-RUZDIDTESA-N 463.578 4.369 10 10 JICE C[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512876 KZRYXKSIZJNLEV-GRYKHCQJSA-N 499.950 4.462 10 10 JICE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526604078 QEFRNWBZEKRTJM-SANMLTNESA-N 489.547 4.042 10 10 JICE Cc1ccc(S(=O)(=O)N(CCN2CCCC2)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586199033 IAFHWVIXVSZWSA-UHFFFAOYSA-N 474.582 4.062 10 10 JICE COc1ccc(N2CCC(NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)CC2)cc1 727604921 YIDKNLBUEOZIDV-XMMPIXPASA-N 483.012 4.475 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)c(C)n1-c1ccccc1 729784451 POJZVAKDTQTADF-UHFFFAOYSA-N 468.557 4.366 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012682 GNYZIZBJLOKRGZ-JOCHJYFZSA-N 494.567 4.045 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079106690 LUIQTHRKRRKTCW-MRXNPFEDSA-N 454.308 4.376 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079857369 ZRLYHOUCOPNVRS-CYBMUJFWSA-N 468.213 4.279 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079997544 DZAYLURDSVLFAM-GOSISDBHSA-N 467.351 4.422 10 10 JICE CCOc1cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc(I)c1O 2293374314 IFURDGDUQFJPTC-UHFFFAOYSA-N 498.367 4.192 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1 20356263 DNRGRGFSTIGZQW-SVKNRIHUSA-N 475.574 4.337 10 10 JICE CCOC(=O)c1sc(N2N=C(C)/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)nc1C 33337526 VZUSYSUWOGNOEL-QPEQYQDCSA-N 494.367 4.214 10 10 JICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 33723229 SHXFNBGYHUUZHH-UDWIEESQSA-N 494.642 4.481 10 10 JICE CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O 110337407 WBGBVKYQFQWJEV-QHCPKHFHSA-N 460.500 4.076 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 213202266 XKMCFSILARDVJA-RGEXLXHISA-N 497.598 4.042 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)c1 253573253 RFGXZYFKVKPJTK-ZRBLBEILSA-N 469.468 4.138 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3c3ccc(Oc4ccccc4)cc3)CC2)cc1 1858109666 BISSZCVVGAOQPT-SANMLTNESA-N 471.557 4.332 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867973221 NAYQDICDVDICAP-NHCUHLMSSA-N 459.594 4.092 10 10 JICE CC[C@](C)(NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868990128 RWXPJBCOLJXIFH-BCHFMIIMSA-N 472.029 4.476 10 10 JICE COc1ccc(CCNC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287268 NGSUAWRVJPBLND-HYARGMPZSA-N 484.643 4.290 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCCOC(C)C)[nH]c4c3)CC2)cc1 1872825457 ZDCYNSQFCTYTSA-UHFFFAOYSA-N 454.596 4.051 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(C3CC3)C2=O)cc1 1873168832 KXYDJMKTVICDEJ-UHFFFAOYSA-N 479.584 4.435 10 10 JICE CC(C)(C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1cc(I)ccc1O 1951857918 VCBZQECDNRTDGT-MRXNPFEDSA-N 469.275 4.075 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(OCc2cn3ccccc3n2)cc1 2042448572 XXUJLICVSXKBNG-UHFFFAOYSA-N 482.584 4.422 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3F)C2=O)cc1Cl 2296397927 HWHYGQIJKOFOHO-UHFFFAOYSA-N 453.857 4.004 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 2313562594 YNMVDFZEQPXNRL-UHFFFAOYSA-N 496.386 4.470 10 10 JICE CCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)s1 2314490362 XQQIFOFXNKHJCG-UHFFFAOYSA-N 486.600 4.112 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314828449 USZAJGIXELINJO-UHFFFAOYSA-N 472.588 4.420 10 10 JICE Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)c1 2314835329 FHXAVFUXYAOKOP-UHFFFAOYSA-N 463.378 4.264 10 10 JICE COc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc(Br)c1O 2323674823 FPSZUQHTPGMEJM-UHFFFAOYSA-N 466.378 4.313 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2cccc(C)c2)CC1 2330188757 CSEKNCIKGKCEOV-UHFFFAOYSA-N 453.587 4.450 10 10 JICE C[C@H](C[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335652647 HBJVPNUXZPBYEI-XLIONFOSSA-N 462.635 4.095 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1C 11857963 VCHJAIZDOCACBY-HNNXBMFYSA-N 487.603 4.370 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1Br 20236792 MWANFPLBLWCDAV-AZPPRZRYSA-N 498.333 4.366 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(OCCOc5ccccc5)cc4)C(=O)N=C3S2)CC1 20356703 BXOQOTGAXSVTJN-GGOACEJESA-N 489.601 4.453 10 10 JICE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccc(Br)c3)C4)CC2)cc1 21039429 LADGDSJDTOIRCK-UHFFFAOYSA-N 494.437 4.133 10 10 JICE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(Br)cc3)C4)CC2)cc1 21039436 BNMQIGGVUFZWSB-UHFFFAOYSA-N 494.437 4.133 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnc4c(-c5cccc(C)c5)c(C)nn4c3C)CC2)cc1 21914569 WILZVFNYSBSDGS-UHFFFAOYSA-N 455.562 4.293 10 10 JICE Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=S)N=C1O 33311324 LZVHRLIYINIJOG-UYRXBGFRSA-N 486.391 4.266 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCCC2)SC1=S 39989952 FRTPGFGEKCFIOT-RGEXLXHISA-N 458.653 4.430 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 210752775 PWMGGVBSVPAVAW-JQIJEIRASA-N 454.639 4.271 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(C)C)CC2)cc1 742920257 HYUSEYJPXHZIHF-UHFFFAOYSA-N 482.028 4.210 10 10 JICE COc1ccc(N2CCN(Cn3nc(-c4ccc(F)cc4)n(C[C@@H]4CCCO4)c3=S)CC2)cc1 1086840846 GDFRMHKXXYVOAR-QHCPKHFHSA-N 483.613 4.187 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)cccc21 1860594613 DDXMWIYAQUFYLP-JLHYYAGUSA-N 482.511 4.492 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861922828 PNKITKAUVADOLU-JOCHJYFZSA-N 477.527 4.351 10 10 JICE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C)c1-c1ccc(OCC)cc1 1865768025 LATCMAUWYMUSEI-UHFFFAOYSA-N 492.644 4.488 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCCC3)nc12 2053494132 LTTDLTQYEAXGJD-UHFFFAOYSA-N 454.621 4.137 10 10 JICE NC(=O)c1c(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)sc2c1CCCC2 2296879870 HEHWVWYDFNSLEB-UHFFFAOYSA-N 489.619 4.095 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 2297348234 WNIRXVMETBISSS-UHFFFAOYSA-N 497.847 4.192 10 10 JICE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S 2297461563 HQBDYKKHSISSPK-UHFFFAOYSA-N 466.902 4.472 10 10 JICE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2314401301 XESUSZXYEOBVDH-UHFFFAOYSA-N 476.627 4.047 10 10 JICE CCCCc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 2314650523 LZIIHGOTWIQTEH-INIZCTEOSA-N 459.545 4.418 10 10 JICE C[C@H](Oc1ccc(Cl)cc1Cl)c1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 2326224800 BUCAWGVTYNXSRU-LBPRGKRZSA-N 461.374 4.212 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(C)c4)n3)CC2)cc1 8979923 XYBFYTZDNRGKBX-UHFFFAOYSA-N 451.552 4.067 10 10 JICE Cc1c(C(=O)O)sc2nc(/C(=C\c3ccc(N4CCOCC4)cc3)c3ccccc3)[nH]c(=O)c12 9339342 RTVPCPDPMLTCQE-HKWRFOASSA-N 473.554 4.417 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(N(C)C)cc1 9778223 TWTGJYUQHDJXPP-PKTZIBPZSA-N 459.933 4.467 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccc(OC)c(OC)c2OC)cc1 27550380 SISIMRRMEWPJRO-QNGOZBTKSA-N 489.484 4.464 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3C(=O)O)CC2)cc1 33253121 WKUOVMVTIMGBRP-UHFFFAOYSA-N 495.601 4.138 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40939013 QUERWTASDKJDNG-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1858033861 MDYNHEISBUNOMD-UHFFFAOYSA-N 490.581 4.253 10 10 JICE Cc1ccc(C)c(CN2N=C(C(F)(F)F)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)c1 1865679456 OFMXYGTXDPLEBZ-PXNMLYILSA-N 461.396 4.327 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cccc(C(F)(F)F)c3n2)c2nccn2C)cc1 1866533919 NIGMIOAMUGBXKX-FQEVSTJZSA-N 469.467 4.278 10 10 JICE CC[C@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867269461 ZOTCKWKZCJQALP-SFHVURJKSA-N 469.522 4.219 10 10 JICE COCCOC(=O)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870903816 YTAHNHSYEBXKFH-UHFFFAOYSA-N 479.577 4.428 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)OCCC(C)C)[nH]c4c3)CC2)cc1 1872826280 KRRNRFQFXJLELD-UHFFFAOYSA-N 496.633 4.215 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)CC(C)(C)NC(=O)OC(C)(C)C 2074363611 FVDFBICIBIDQSH-LJQANCHMSA-N 450.624 4.168 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNCc3cc(Cl)cc(Br)c3O)(C1)OC2 2161186602 FDUQUIMFRHPSGV-OALUTQOASA-N 461.784 4.114 10 10 JICE O=S(=O)(C=Cc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 2297386056 NIDUEQSGYRRQGD-UHFFFAOYSA-N 450.488 4.178 10 10 JICE CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 2313560334 QDDVWUHZFOWNEC-UHFFFAOYSA-N 450.834 4.307 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 2313565065 PHUGIWSTJRFYRS-UHFFFAOYSA-N 480.318 4.305 10 10 JICE CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33323322 WPVNXTQRCGULBQ-XDHOZWIPSA-N 456.545 4.044 10 10 JICE COc1cc(OC)c(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc1Br 33447022 IJQDNWSSZAAEFD-MLPAPPSSSA-N 465.300 4.277 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOc3ccccc3)C(=O)N=C2S1 103493894 WYMXYPIQHTWBJH-UQIYEGRLSA-N 479.518 4.472 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccn(-c2cccc(Cl)c2)n1 108453808 USRUPLSYDJLSQJ-UHFFFAOYSA-N 464.875 4.311 10 10 JICE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1OC 210519807 GEMHJZMBIUAZBE-XDHOZWIPSA-N 458.561 4.126 10 10 JICE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CC2)cc1 1858120836 BSCFXOJSNYKELQ-QFIPXVFZSA-N 478.618 4.097 10 10 JICE CC(C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858848599 LTVNRYIJRMDHCP-HNNXBMFYSA-N 473.485 4.220 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3F)c3ccccc23)SC1=S 1860827429 YBLILDLXARJKAC-UDWIEESQSA-N 497.573 4.485 10 10 JICE CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145622 XFYXHFWHGURJET-PXWJQCMDSA-N 476.404 4.259 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864011404 UGJJLACIESRJPC-NRFANRHFSA-N 496.995 4.356 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(C)c5C)CC4)nc(C)n3)CC2)cc1 1867990034 BPUALEGQENEPLK-UHFFFAOYSA-N 472.637 4.064 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970489 KZTBNUXABWUOIO-UHFFFAOYSA-N 482.588 4.092 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CCOc4ccccc4)cc3)CC2)cc1 1874746588 XREIUCSSDHFVCU-UHFFFAOYSA-N 488.584 4.465 10 10 JICE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881513564 RPFMYQNMVGZXMR-NHCUHLMSSA-N 464.651 4.272 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(Br)cc(F)c2O)C1 1952540011 YLOMBWDPDXMSNZ-CXAGYDPISA-N 452.276 4.468 10 10 JICE Cc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)N(c5ccc6c(c5)OCO6)C4=O)o3)[nH]c2c1 2313556273 UFLKWPMRZYIWIY-UHFFFAOYSA-N 488.481 4.011 10 10 JICE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)C(=O)O 2314837058 NSHWSWRFSMGXOL-LLVKDONJSA-N 475.419 4.344 10 10 JICE O=C(O)COc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1 2314929860 SWJLEANAPHAFJS-UHFFFAOYSA-N 450.335 4.318 10 10 JICE COC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1 1860748940 PGBXWXBZMROJJR-UHFFFAOYSA-N 480.542 4.491 10 10 JICE CCCC[C@@H](NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862230349 KNYMDAYKMCUUJM-RUZDIDTESA-N 481.637 4.186 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1872957648 BNOMVGINOFVCPI-UHFFFAOYSA-N 464.562 4.490 10 10 JICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422266 OADJFKHRVYJXQQ-UHFFFAOYSA-N 469.541 4.164 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)cc1I 2060621523 OMNZJWBEQXBHKT-NSHDSACASA-N 457.272 4.163 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079016892 URUHVXWTPLEKDM-HNNXBMFYSA-N 452.292 4.251 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)cc1 2294279956 KXCUHYAVWNZYHS-UHFFFAOYSA-N 463.471 4.003 10 10 JICE Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C)C3=O)c(=O)n2c1 2296705059 LCCCGLBFRKLYMN-UHFFFAOYSA-N 490.654 4.293 10 10 JICE CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(S(N)(=O)=O)cc1 2297312710 JNXQEEZYCQLCAS-UHFFFAOYSA-N 475.357 4.238 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1cc([N+](=O)[O-])ccc1Cl 2297346668 HZEKUSUIRPYHSQ-UHFFFAOYSA-N 471.256 4.359 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 2297560337 PZARUEULBBWFLV-UHFFFAOYSA-N 495.782 4.341 10 10 JICE COc1ccc(OC)c(N2C(=O)/C(=C/c3cc4c5c(c3)CCCN5CCC4)C(O)=NC2=S)c1 2347392 FMZVGOKUNZMHDT-CPNJWEJPSA-N 463.559 4.074 10 10 JICE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14457831 WNNRKLXFSYZPRU-AOJNWGRGSA-N 451.636 4.374 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cccc(OC)c1 20236043 NSHDZNWTLYKEHF-ZIJAOZNWSA-N 463.490 4.002 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989648 OJDZKTVBIBHMHG-MOSHPQCFSA-N 464.616 4.050 10 10 JICE Cn1c(=O)n(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(=O)c2ccc(C(F)(F)F)nc21 255553615 PLLGCQCZPPSDNM-UHFFFAOYSA-N 482.422 4.168 10 10 JICE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 754548472 OTCQOMZQRNMIOE-UHFFFAOYSA-N 481.552 4.365 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCC(C)C)CC1 1722780201 FRXHUXACCWNCOO-UHFFFAOYSA-N 478.641 4.084 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865025712 CFPPQDUHQILGCQ-HSZRJFAPSA-N 494.567 4.133 10 10 JICE CCCCc1ccc2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866435343 MVPJUZFGCMSUDP-DEOSSOPVSA-N 457.578 4.190 10 10 JICE CCC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912853 FCIVWXUBWJCNSR-DQEYMECFSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)c3ccccc3)CC2)cc1 1868832372 WURBAYAFTXSDIG-KWXIBIRDSA-N 487.575 4.144 10 10 JICE COCCc1nc(N(C)CC(C)(C)c2ccccc2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869112149 HOJJISPYLMZJID-UHFFFAOYSA-N 489.664 4.415 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2293653467 NICPBRIZSIISEM-UHFFFAOYSA-N 453.473 4.491 10 10 JICE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2297499610 PJVBUPOJFMKRSB-UHFFFAOYSA-N 488.617 4.343 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2313557574 GQJWAJYWPOQXPP-UHFFFAOYSA-N 455.785 4.314 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 2314488685 MIFDGUVOAUJKHL-IAGOWNOFSA-N 498.626 4.116 10 10 JICE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C(C)C)C1=O 34798220 DRCWWCSWXBEWOE-LDADJPATSA-N 467.572 4.413 10 10 JICE Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)n2)c(C)n1-c1ccc(F)cc1 104418734 SOXIHUINCJYERO-ZMMDUFCOSA-N 490.560 4.102 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 105435947 FTGGWTNJLUIKFI-RJGXRXQPSA-N 469.468 4.138 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1C 1084113941 RWXPFZUTPLTIHD-LPYMAVHISA-N 457.534 4.302 10 10 JICE CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 1084181388 QDDVWUHZFOWNEC-ATVHPVEESA-N 450.834 4.307 10 10 JICE Cc1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347544 VSVNZDNKXCFRKG-MUUNZHRXSA-N 464.569 4.413 10 10 JICE COc1ccc([C@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866981921 ZVIGJYYWBVSHCV-BXKMTCNYSA-N 484.552 4.354 10 10 JICE CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1874184628 AVEKGSBZKCGOGR-UHFFFAOYSA-N 462.594 4.427 10 10 JICE CCOc1cc(Br)c(Br)c(C=C2SC(=S)N(C)C2=O)c1O 2293115891 DQKURDHGRSLBEU-UHFFFAOYSA-N 453.177 4.147 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 2293391518 SJOADYSMXYTCDA-UHFFFAOYSA-N 472.497 4.128 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1ccccc1 2293531977 LIQKVTDZQWLOQS-UHFFFAOYSA-N 466.378 4.404 10 10 JICE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2293779445 IXLYBSFSSBSGQB-UHFFFAOYSA-N 474.922 4.122 10 10 JICE COCCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296541923 KTWNCDANKHOABQ-UHFFFAOYSA-N 494.642 4.161 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296545910 AEKFCIVIJQKSEQ-LJQANCHMSA-N 494.642 4.231 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 2297341027 HBYNEOHRNJNZDG-UHFFFAOYSA-N 496.570 4.333 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=N)N21 2297345677 RIKZVXOKVITWCU-UHFFFAOYSA-N 476.967 4.247 10 10 JICE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817678 OAHUCOGRQSRTAS-UHFFFAOYSA-N 484.628 4.185 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 2314933295 UXHZQWXIINIJMB-UHFFFAOYSA-N 457.529 4.157 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC)C(=O)O 2314933424 VYGUORYAYJLEKT-INIZCTEOSA-N 459.545 4.352 10 10 JICE COc1ccccc1N1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)SC1=S 33337818 HTSOWMAPIOZSCA-DHDCSXOGSA-N 499.351 4.420 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 39835646 ROQRSNBWVLCIEP-NBVRZTHBSA-N 495.582 4.115 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310952 NRYATOMKBHVGFZ-QPPBQGQZSA-N 472.651 4.133 10 10 JICE COc1ccc(CCC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694277 LDZYLNWCHQPJKB-UHFFFAOYSA-N 459.590 4.062 10 10 JICE CCCC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C(=O)[C@H](C)O2 96773058 MZEJRHHQTPEENA-INIZCTEOSA-N 496.519 4.197 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526350918 GOFAAUNVOWACCP-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)sc(C)c1-c1ccc(F)cc1 829988754 BOKCTENMARRECF-NYHFZMIOSA-N 462.568 4.432 10 10 JICE CCN1C(=O)Cc2cc(-c3csc(NS(=O)(=O)c4cc(Cl)ccc4OC)n3)ccc21 1859573754 QYUYWZAGVWIIDC-UHFFFAOYSA-N 463.968 4.182 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)ccc21 1860605489 IHDKRJNXLFSHSG-UHFFFAOYSA-N 468.509 4.449 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864021749 GFGQEUKVBVRQKY-KRWDZBQOSA-N 494.514 4.113 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)CCC(=O)c2ccc(Br)cc2)c2nccn2C)cc1 1865944313 DYCIZSJCUYRMBB-JOCHJYFZSA-N 469.383 4.117 10 10 JICE O=C(C[C@H]1CCCCO1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867253792 FURPWDBKACANNU-NIYFSFCBSA-N 482.536 4.217 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(CCc2ccc(O)c(O)c2)(C(=O)O)C1 1951965275 IFVBHKNCNJQONG-UHFFFAOYSA-N 459.498 4.366 10 10 JICE CCN1CCc2cc([C@@H](O)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106797482 BCOPWNBNGDEPCQ-SHQCIBLASA-N 451.611 4.272 10 10 JICE CC(C)(C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 2293332608 KKMHKDUBLZLSIO-UHFFFAOYSA-N 461.518 4.120 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 2297317968 SJMCVKVOSWDRDQ-UHFFFAOYSA-N 459.546 4.269 10 10 JICE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 2297352777 VUPBCOMVYYFNDZ-UHFFFAOYSA-N 482.997 4.429 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(OC)cc1OC 2313541620 QXHJEPHUWFXPQP-UHFFFAOYSA-N 458.308 4.344 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2313558463 BJECWUBJVWYWKG-UHFFFAOYSA-N 451.435 4.134 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc1OC 2314927916 NEAUPDWTQLDAJJ-AWEZNQCLSA-N 455.623 4.282 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1 1083882 ZSTJPHFKESTKJQ-RIYZIHGNSA-N 461.268 4.069 10 10 JICE CC(/C=C1\SC(=S)N(CC(=O)N(C)c2ccccc2C(=O)O)C1=O)=C\c1ccccc1 16922509 HXPXUDCSHJUPLA-JGEPBQDUSA-N 452.557 4.195 10 10 JICE Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33525506 VCIZKJAKLBTFDO-UEXNTNOUSA-N 484.647 4.128 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152347 PHPJQGWSTDVSAF-CYUIRQCWSA-N 457.533 4.222 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 213178213 SXWYYXIZLJQTCY-YNGKYYQNSA-N 493.610 4.484 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 1860587787 VWMTWAUYGLIWMI-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259006 RMUFODOYHBJVEK-NRFANRHFSA-N 464.393 4.249 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865033687 GKWUAQVFVJHYHI-QGZVFWFLSA-N 496.530 4.312 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(C(C)(C)C)cc3c2=O)c2nccn2C)cc1 1866438242 VGBDMMIYUASBLZ-HSZRJFAPSA-N 457.578 4.145 10 10 JICE CCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890584 NNUGRUNUTBRIOR-SXOMAYOGSA-N 493.696 4.061 10 10 JICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868254503 RBQMJVAXZYLXCR-MRXNPFEDSA-N 494.555 4.031 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1892078957 VQTISOUQJZUDHC-BJLQDIEVSA-N 494.082 4.107 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2294229326 KMVXXOHLFUWTHN-UHFFFAOYSA-N 498.314 4.449 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NCCCOC(C)C)nc12 2296546487 ZQQYUJCIRNAMOJ-UHFFFAOYSA-N 486.663 4.374 10 10 JICE O=C1C[C@@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 2297460510 RTDWXGYNXSCJAC-QGZVFWFLSA-N 454.960 4.430 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1cccc(Br)c1 2313510845 ZAFLBXCVQPZMNG-UHFFFAOYSA-N 486.362 4.382 10 10 JICE CC1CCC(Nc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2314413745 GJYGPJUZJRZYOZ-JCYILVPMSA-N 484.647 4.065 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650501 KNLRCPOJLNKZIM-OAHLLOKOSA-N 468.648 4.245 10 10 JICE COc1ccc(-c2nc3sccn3c2/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 33531621 YOFGGEYPPHMZFW-YMINWEEVSA-N 485.554 4.134 10 10 JICE COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850202 OPCCUMXCPGSOMV-NDENLUEZSA-N 465.556 4.116 10 10 JICE N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 95928825 SRLRRTDCMLSEDX-CLKZTBQTSA-N 497.580 4.328 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCc2ccccc2OC)cc1 205960587 ZIJZGYNELMFQAT-JJIBRWJFSA-N 472.501 4.427 10 10 JICE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705623853 GSCINQLMOBPUJW-UHFFFAOYSA-N 479.028 4.364 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013608 DKXVKAVNDDIQGO-OPAMFIHVSA-N 476.577 4.229 10 10 JICE CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867331846 UQYJNLDPYVCSQM-IZZNHLLZSA-N 496.721 4.256 10 10 JICE CO[C@@H](C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951991852 CDWDSOSIQJHVKV-GKVSMKOHSA-N 477.513 4.037 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)cc1 2293394403 QCDDWFLVDKFSQK-UHFFFAOYSA-N 459.589 4.357 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2294124590 ABSYGWUKZXVPEI-UHFFFAOYSA-N 489.123 4.359 10 10 JICE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 2294353266 OCXBGHNELHAQDE-UHFFFAOYSA-N 472.501 4.392 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 2296103238 WXPVFOAOLUMTAN-UHFFFAOYSA-N 460.461 4.075 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2296397954 JGOMMBZMWMAJFL-UHFFFAOYSA-N 492.439 4.192 10 10 JICE O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1CCS(=O)(=O)O 2296545394 NNDRZYGHDYCLBD-UHFFFAOYSA-N 464.373 4.342 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1 2297333732 KLXVNXOGLYPZLD-UHFFFAOYSA-N 468.560 4.093 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836300 CMWGQMWNWAAIAQ-LLVKDONJSA-N 491.388 4.376 10 10 JICE COc1ccc(OCCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2323719194 WCXXSWYVVDQSIA-UHFFFAOYSA-N 461.561 4.001 10 10 JICE Cc1cccc(OCCOCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)c1 27531758 OQAKBYRIGQSOHM-XSFVSMFZSA-N 474.560 4.209 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066647 DOGVBCGUSQXQIZ-LPKQHDGYSA-N 482.631 4.186 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413675 GZWQRMWJOQZOSK-PZLPMSIKSA-N 470.554 4.450 10 10 JICE NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)cc2)C1 726967199 IGUOORQXNULTEJ-INIZCTEOSA-N 496.402 4.412 10 10 JICE CC(C)C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1858074996 YZJNYDDFONYPTM-UIOOFZCWSA-N 490.648 4.107 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864007116 GKTYINPVTVECST-HSZRJFAPSA-N 474.561 4.126 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865025891 FANWNXCYEJRORL-QHOOGPDPSA-N 480.609 4.135 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccc(Cl)cc5)C4)nc(C)n3)CC2)cc1 1869300977 UDZDIOGPTSOSHN-XMMPIXPASA-N 480.012 4.352 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873168259 ORHNDXNGHKLUAX-UHFFFAOYSA-N 479.584 4.251 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1Cl 2294124690 ZBCOUWIVKLSHDW-UHFFFAOYSA-N 477.904 4.451 10 10 JICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)cc1O 2313466157 JHZNGTWOPUNRAO-UHFFFAOYSA-N 458.514 4.232 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1C 2313560265 OGHPRCPFNUBYRG-UHFFFAOYSA-N 471.513 4.198 10 10 JICE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(C)C2=O)CC1 2314647538 BBBVUGVJHDCMOJ-UHFFFAOYSA-N 455.605 4.154 10 10 JICE CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 18402872 ZFVNUTDNTQYMLQ-MRXNPFEDSA-N 484.691 4.419 10 10 JICE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OCC 33417531 ZZSZRVAMAAAPFK-UNOMPAQXSA-N 466.490 4.151 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(-c4cnc5ccccc5n4)cc3)CC2)cc1 35536927 JIHALINLHOHVRA-HXUWFJFHSA-N 468.557 4.422 10 10 JICE CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862158614 HYGDXDBETQUCIL-VKUFTZFMSA-N 499.611 4.313 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864016874 ZIWWEENLVDNSAR-NRFANRHFSA-N 476.577 4.372 10 10 JICE CCOC(=O)c1c(NC(=O)Cn2cccc(Br)c2=O)sc(C)c1-c1ccccc1 1865785364 CRWUVSMJXNJEDU-UHFFFAOYSA-N 475.364 4.463 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)N2CCCCC2)cc1 1866073399 LEGUJOHJNRSFNF-HSZRJFAPSA-N 452.986 4.205 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873165167 GUZYYQNTTXBDEU-UHFFFAOYSA-N 457.574 4.043 10 10 JICE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2296703990 GQMBIJPXSLTYHK-UHFFFAOYSA-N 476.627 4.395 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(C(=O)O)cc1 2297307230 SBDIEKFTTCVYDE-UHFFFAOYSA-N 491.388 4.377 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1Cl 2297347557 IAKHFXXEXWPVPY-UHFFFAOYSA-N 453.882 4.257 10 10 JICE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 2313621364 HFXZSOBVYNMDQI-UHFFFAOYSA-N 458.948 4.026 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OC)C(=O)O 2314931321 FAUBXWZHIRPEKX-KRWDZBQOSA-N 473.572 4.087 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 96450477 AJPWBOQCTKUMJN-CYPXAJCBSA-N 482.587 4.401 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(C)c(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)c1 729688266 MOFUEXTYELQEFH-NDENLUEZSA-N 486.644 4.079 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019120 GQMQXNSSTFVUKA-RBZFPXEDSA-N 482.968 4.109 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867842781 KRGVLZMGQUKYFT-SHQCIBLASA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)ccc5[C@H]4C)nc(C)n3)CC2)cc1 1869292394 XPXINWIZIOZAPN-LJQANCHMSA-N 459.594 4.253 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048555 UROSIYFQTVRKPC-MRXNPFEDSA-N 454.308 4.311 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]4C3)ccc(N)c2C1 2168776809 CACZAVZXSMWICH-ZWKOTPCHSA-N 472.630 4.255 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC 2296881434 HJTFPAUOAXRFKW-UHFFFAOYSA-N 478.979 4.206 10 10 JICE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N2O1 2297347668 RNVCDIQGRULNMP-UHFFFAOYSA-N 468.307 4.357 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314837018 NBBJAHUQMDLNMT-OAHLLOKOSA-N 454.573 4.400 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2ccc(CC(=O)O)cc2)C1=O 2314936113 VKKRRDNGCNIDLZ-UHFFFAOYSA-N 452.557 4.100 10 10 JICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)SC1=S 2326944738 ICEKUYXSHAHZPL-UHFFFAOYSA-N 476.938 4.072 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1146487 XVVUUYCPHOTICT-GZTJUZNOSA-N 454.236 4.079 10 10 JICE O=C(O)c1ccc(S(=O)(=O)Nc2cc(SC3=NCCS3)c(O)c3ccccc23)cc1 8870463 JNYITTUWDAYYJZ-UHFFFAOYSA-N 460.558 4.239 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)CC2)cc1 8979737 IVFZYETZJRKPRH-FQEVSTJZSA-N 497.020 4.436 10 10 JICE CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c1 20356528 LOPVNXGTOIKKOU-GHSJBHEOSA-N 477.546 4.186 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CC=C[C@@H]32)CC1 20704492 UFMFRVOEBNSNNA-HYFFOGBASA-N 452.942 4.462 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 33378473 BHALOHGXDQSXLQ-RABKVMQJSA-N 487.516 4.476 10 10 JICE CCOC(=O)c1c(NC(=O)C[C@H]2SC3=NCCCN3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 64980975 CHVBTSJNPWXUMV-XJKSGUPXSA-N 477.652 4.108 10 10 JICE O=C1/C(=C\c2cc(I)ccc2O)SC(=S)N1Cc1ccccc1 83327560 BSVAUJOPEJLBTG-OQLLNIDSSA-N 453.326 4.398 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N12 96459435 MBGYQXRYWTVMHE-LEBISVFGSA-N 452.561 4.474 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc(C(=O)O)c1 105571450 YERKKLCYLPWKMY-DUPNKOKHSA-N 450.436 4.292 10 10 JICE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)C2)cc1 110611539 SXERKUGUKQFWAQ-JOCHJYFZSA-N 465.619 4.233 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)c1 526284141 KRRDDECVQQSULG-HSZRJFAPSA-N 459.458 4.049 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526450253 KDCRQXUCTNPNQQ-DEOSSOPVSA-N 463.486 4.489 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@@H]2CCOc2ccc(-c3cccnc3)cc2N1 1616061144 LYEMIZCHAWISLY-IRLDBZIGSA-N 459.546 4.409 10 10 JICE CC(C)COC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858856299 RJEVKEZHHHHZON-UHFFFAOYSA-N 473.485 4.079 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)C2CCC2)cc1 1858906753 CQCVAKBWVZJUQM-UHFFFAOYSA-N 454.482 4.489 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034061 ODLSRXZJQMFZBQ-QGZVFWFLSA-N 494.514 4.066 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(N4CCCC4)cc3c2=O)N2CCCCC2)cc1 1866469235 DXZFLFWMJUNYTQ-HHHXNRCGSA-N 487.648 4.151 10 10 JICE O=C(C[C@@H]1CCCCO1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867253793 FURPWDBKACANNU-SIBVEZHUSA-N 482.536 4.217 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868704371 HSSBOORMSQSVOT-DVECYGJZSA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871475645 GWATVJHEKFSYOY-UHFFFAOYSA-N 499.594 4.432 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3ccco3)C2=O)cc1 1873168490 WXRXDGSZLFIERA-UHFFFAOYSA-N 495.535 4.486 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 2296055655 YIQNFIUTDVDBGB-UHFFFAOYSA-N 474.590 4.034 10 10 JICE COC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2313617344 JNNDWPYQHXDYFR-UHFFFAOYSA-N 479.366 4.289 10 10 JICE CCCOC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945447 XAWPOXBTRAXJDA-AWEZNQCLSA-N 460.577 4.222 10 10 JICE Cc1nnc(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2nn(-c3ccccc3)c(C)c12 8594017 BMZRCDXAQIDDDV-UHFFFAOYSA-N 483.620 4.031 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15047281 SHJSQIQIQAULAR-OKHBPPCESA-N 491.388 4.376 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C(C)C)CC2)cc1 15942721 UUPCDJSKOYUZPD-UHFFFAOYSA-N 455.580 4.293 10 10 JICE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)Cc4ccccc4)C(=O)[C@@H]23)c1 59428043 BUQUPBXEZGIWSE-LVEBQJTPSA-N 479.532 4.117 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 103985364 BOXNNZUTPSPSNV-LDADJPATSA-N 484.297 4.297 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 108757402 MVZQIOBRMIVJHK-SFHVURJKSA-N 461.522 4.134 10 10 JICE O=C(CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 210672432 TXVMVROHNSDRAZ-OQLLNIDSSA-N 467.450 4.454 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC(C)C)[C@@H]3C2)cc1 245326052 CVRMOWDAQZVOLM-GMAHTHKFSA-N 461.528 4.354 10 10 JICE CC[C@H](C)[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865985325 IUBCOMSSTKFVRX-LZYPDUGYSA-N 490.648 4.107 10 10 JICE Cc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866732007 DDWXAZYVVCRNRD-UKILVPOCSA-N 498.579 4.016 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1 1867336469 SFOJDQXMEKJFFZ-MUUNZHRXSA-N 484.644 4.493 10 10 JICE CC[C@](C)(NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868953266 ARRVZMHEXACHDA-SANMLTNESA-N 472.029 4.305 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(C(C)C)cc3)CC2)cc1 1873533050 QPHQBIQFVKKMCX-UHFFFAOYSA-N 455.562 4.239 10 10 JICE Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cccc4nsnc34)ccc1O2 1892188133 BNUGRDIIFAGZMX-UHFFFAOYSA-N 452.517 4.183 10 10 JICE CCCOc1c(Br)cc(Br)cc1C=C1SC(NC(C)=O)=NC1=O 2294956856 SJXFXXIEEPOSPP-UHFFFAOYSA-N 462.163 4.107 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2297307061 CYAKUFKQFGBSPP-UHFFFAOYSA-N 470.323 4.210 10 10 JICE CCc1ccccc1N1C(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)C(=O)NC1=S 2313562380 PWDPJDLZDBTOKM-UHFFFAOYSA-N 474.380 4.036 10 10 JICE O=C(O)CCN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842216 HJFXFRPSNUTRMP-UHFFFAOYSA-N 494.953 4.173 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C(C)(C)C)cc4)n(C)n3)CC2)cc1 2331398713 DRQZXVMSVXJUEJ-UHFFFAOYSA-N 474.609 4.100 10 10 JICE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2364179851 HCJOYRAMBJNGLZ-UHFFFAOYSA-N 471.362 4.297 10 10 JICE COc1ccc(/C=C2\SC(=S)N(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 12368527 KGQKTBJTMCIXBV-ATVHPVEESA-N 489.625 4.358 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 33662018 YSKJADSZTHNNGX-VHEBQXMUSA-N 451.573 4.140 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@H](C)C2)SC1=S 33812044 RMUVKVLIHQBQHB-CCRNYGKSSA-N 458.653 4.193 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 100276463 QXDOBRBJWINPJT-IERINAHZSA-N 476.573 4.271 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526566802 TWPIBPLHXMNSCU-HSZRJFAPSA-N 479.460 4.097 10 10 JICE C[C@H](Nc1cc(I)cc(I)c1)c1cc(O)ccc1O 690409944 SJEZPICMMQKYMK-QMMMGPOBSA-N 481.071 4.480 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(C)n1-c1ccccc1 727033197 NLOONNKCBGNLGZ-UHFFFAOYSA-N 497.477 4.460 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCc3cc(C)no3)c2)CC1 1435910377 GFZIAMZTZOVHOM-UHFFFAOYSA-N 450.564 4.196 10 10 JICE CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859004230 KEWOJVDESLAGSX-UHFFFAOYSA-N 495.601 4.016 10 10 JICE CC[C@](C)(NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862103052 TZSJRVNWQROABY-NDEPHWFRSA-N 491.636 4.116 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012775 IZFCGWIHKBIVDA-QHCPKHFHSA-N 488.588 4.049 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(OC)cc(OC)c4)cc3)CC2)cc1 1872884133 MJUSPWKCFWOUCM-UHFFFAOYSA-N 461.562 4.287 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4cccs4)c4ccccc34)[C@H]21 1873882418 WIHGJTAUGPNMHD-SANMLTNESA-N 470.598 4.209 10 10 JICE COc1ccc([C@H](n2nc(C3CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080001394 IENPQPOKZXGZEB-INIZCTEOSA-N 470.307 4.413 10 10 JICE Cc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2CSc2nnnn2-c2ccccc2)cc1 2294073329 MUQWVZMKBMCDNX-UHFFFAOYSA-N 467.558 4.462 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541969 YWOSSKMTUSOWCT-IRXDYDNUSA-N 470.664 4.487 10 10 JICE CCc1ccccc1NC(=O)CN1C(=O)NC(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 2297620129 PMVUWQVJJAWAES-UHFFFAOYSA-N 493.903 4.392 10 10 JICE CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@@H]2CCOC2)C1 2297719274 FLTYKXCCCAPRLV-LJQANCHMSA-N 496.562 4.172 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1cccs1 33447183 MDQNVSMLIKSZIY-BWCWTBITSA-N 478.511 4.236 10 10 JICE Cc1nnc(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(Cc3ccccc3)C2=O)s1 39793668 NMMJHTYBOUWZRB-ISLYRVAYSA-N 466.613 4.342 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 47133650 BEVDOSLYXCCUPQ-YVLHZVERSA-N 468.535 4.332 10 10 JICE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074290 BDMUFAPWLFUIES-VWLOTQADSA-N 463.603 4.297 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453466 CLMQLWDVCBGJEJ-GQBVICOWSA-N 470.554 4.450 10 10 JICE COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 103040858 YQQZMIUJZMDBKE-NWGMWSOJSA-N 465.600 4.125 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210749638 FJOCNOCENBITCU-RCCKNPSSSA-N 498.626 4.228 10 10 JICE O=C(Nc1ccc(C(=O)NCc2ccncc2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692263 IEWZTNWPAHZCFM-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CCc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(N3CCCC3)o2)C(=O)NC1=S 1084419731 PWDPJDLZDBTOKM-PTNGSMBKSA-N 474.380 4.036 10 10 JICE CCOC(=O)N1CCN(c2nc3ccccc3[nH]c2=Nc2c(O)cc(C)c(Cl)c2C)CC1 1859509909 LOURGAAPLTUUDK-UHFFFAOYSA-N 455.946 4.050 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4F)n(CC(C)C)n3)CC2)cc1 1862339263 RTOQHBVZIKIOHM-UHFFFAOYSA-N 454.521 4.455 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@H]2c1ccc(O)c(O)c1 1865035257 PMWJQZZRNCEVPE-QHCPKHFHSA-N 490.604 4.399 10 10 JICE CCCN1N=C(c2ccccc2)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)C1=O 1865677718 ZDGJHYHBITYGHG-XLNRJJMWSA-N 463.578 4.372 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 2294093707 HFQYIZDCGOBWJF-UHFFFAOYSA-N 450.834 4.273 10 10 JICE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2297307030 OMXNLZMTGCPABS-UHFFFAOYSA-N 495.285 4.382 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)c1 2313510397 BYAZIANQBCUNOU-UHFFFAOYSA-N 494.139 4.200 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1OC 2313549532 YQAISXGWGQDWLJ-UHFFFAOYSA-N 481.302 4.286 10 10 JICE COc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 16977452 GNOKSKSGCZHGDS-UHFFFAOYSA-N 495.605 4.086 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OC 21270685 PKQLNTGNKXVZJR-WJDWOHSUSA-N 493.404 4.403 10 10 JICE NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 33552871 QRXDEWRUKAAJNY-CHHVJCJISA-N 483.796 4.372 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCOCC2)SC1=S 39990291 AVRCNDIIQCJEBX-HKWRFOASSA-N 488.679 4.057 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1Br 40846647 WUHSIVHKEUKBKU-MHWRWJLKSA-N 463.378 4.312 10 10 JICE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(C)=O 1772761086 UALSCWNRNMBTNT-ZIPUBWIGSA-N 469.584 4.330 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N[C@H](CO)c4ccccc4)c4ccccc34)[C@H]21 1860347254 FIMMBRIYSQURTE-GIGWZHCTSA-N 494.595 4.028 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007214 HVCNMWGOTFWGNM-IBGZPJMESA-N 489.359 4.120 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034060 ODLSRXZJQMFZBQ-KRWDZBQOSA-N 494.514 4.066 10 10 JICE CC(C)COc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867724646 DLOQNHIGWHRPPT-WXVAWEFUSA-N 494.680 4.249 10 10 JICE CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017285 MVQFFCSNJPFPLU-QHCPKHFHSA-N 495.535 4.429 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 1891800279 SQLFRNQJZUUVMD-CVDCTZTESA-N 451.526 4.406 10 10 JICE CC(C)(C)OC(=O)N1CCN[C@@H](c2cc(Br)cc(Br)c2O)CC1 1952076039 VEDCZTVKDGTNCK-CYBMUJFWSA-N 450.171 4.189 10 10 JICE CC(C)(C)OC(=O)N1CCC(N)(c2cc(Br)cc(Br)c2O)CC1 1952419440 COUDHFOGRZOMMZ-UHFFFAOYSA-N 450.171 4.102 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cc(O)cc1O 1952829034 HIHBCQAOYLEJTQ-YADARESESA-N 461.470 4.200 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@]4(C)C3)ccc(N)c2C1 2163166266 XWKIZXZBMDGDLB-MRDQGFSESA-N 472.630 4.255 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 2293606195 GTZPBWRGYMWEIK-UHFFFAOYSA-N 496.479 4.273 10 10 JICE Cc1ccc(N2C(=O)C(=C3C(=O)N([C@H](C)C(=O)O)c4ccccc43)SC2=S)cc1Cl 2313617642 WAKTUHGEJWAWOI-LLVKDONJSA-N 458.948 4.244 10 10 JICE O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(O[C@@H]2C=Cc2ccccc2)C(=O)c2ccccc2C1=O 2313626320 REFKVHSIRLCZNS-DNVJHFABSA-N 483.907 4.376 10 10 JICE CCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 2323866125 SSJZFABYKDOEIF-QGZVFWFLSA-N 457.573 4.381 10 10 JICE COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 2830593 XBJDSIAHIXIMBB-NDENLUEZSA-N 486.596 4.004 10 10 JICE CCN(CC)c1nc(C)nc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c12 2925984 HPRSLBJYEUGNPZ-UHFFFAOYSA-N 453.612 4.125 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 20324755 YKHQYEZFTJZNOU-ICZFKYGZSA-N 495.007 4.237 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC2)cc1 33058221 SUYAYNMIZWLLNS-UHFFFAOYSA-N 474.536 4.195 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1 56896150 ZPVWRXFBRZSFAZ-XMMPIXPASA-N 450.970 4.037 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3cccc(F)c3)C(=O)c3ccccc3C2=O)cc1C 253563717 FTGGWTNJLUIKFI-ZRBLBEILSA-N 469.468 4.138 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526450091 IAZQAKUEPFMVNI-DEOSSOPVSA-N 463.486 4.489 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c(C)c1 1084138880 ICMGNNAEBNRWNO-UYRXBGFRSA-N 491.544 4.160 10 10 JICE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc21 1859572779 HOTBQOSUPMPDCC-UHFFFAOYSA-N 492.966 4.472 10 10 JICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010715 VWPVAOFNGURYOF-FYSMJZIKSA-N 490.604 4.393 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019502 KNZKXBQETWWZQH-NRFANRHFSA-N 494.979 4.253 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](C)c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868680532 ANVNTDZVJZLJIB-CLOONOSVSA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245265 BLXZARDHGNBSMI-IBGZPJMESA-N 480.012 4.357 10 10 JICE CCCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234405 SCPHGGMYNMZGAL-UHFFFAOYSA-N 465.550 4.182 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3cccs3)C2=O)cc1 1873167296 AAFNXZKMOZCRBP-UHFFFAOYSA-N 499.640 4.355 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422486 ZSVXWXUTIBICDB-UHFFFAOYSA-N 490.991 4.384 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(OC(F)F)cc3)SC2=S)c1 2042446611 SZMQTCIZBHXMFU-UHFFFAOYSA-N 451.428 4.090 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2ccc3c(c2)CCCO3)C1 2140598503 WWDYPSWZYKVCHZ-XMMPIXPASA-N 451.611 4.223 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1 2294204936 VOZQUULSRWWGIC-UHFFFAOYSA-N 452.539 4.474 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296730284 QRZICEPPPWMPQQ-UHFFFAOYSA-N 480.615 4.317 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 2297324652 BLHBGYNHACZPKQ-UHFFFAOYSA-N 472.497 4.339 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(C)=O 2314926841 UALSCWNRNMBTNT-RTBURBONSA-N 469.584 4.330 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15047435 RVCHQUCCVBDAOC-QXGSTRBFSA-N 488.587 4.037 10 10 JICE O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 34857721 XKRWKTRBCUCQIC-ZHZULCJRSA-N 466.519 4.260 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 226743563 WJDXLXIDDCECNC-PNCHPQGNSA-N 488.997 4.011 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)[C@H]2C1 1637124552 LNEKIBYKVXNROK-HFSMHLIXSA-N 458.400 4.233 10 10 JICE CCN1C(=O)Cc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc21 1859572724 CSRIYUFVSDEBRZ-UHFFFAOYSA-N 478.939 4.082 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864009287 DJLUDXXYMHLLKH-OYLFLEFRSA-N 488.588 4.073 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(Cc4ccccc4)cc3c2=O)c2nccn2C)cc1 1866465201 DPIQFMRTZZGQQT-MHZLTWQESA-N 491.595 4.438 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1869211275 JJHNJXDHCMJFIN-FQEVSTJZSA-N 481.604 4.326 10 10 JICE CCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870603909 NSVDXXFAEAGVEP-UHFFFAOYSA-N 491.632 4.219 10 10 JICE CSc1ccc(C=C2SC(=O)N(CCNC(=O)CSCc3c(C)noc3C)C2=O)cc1 2040437524 WTPVNIANEPEAEG-UHFFFAOYSA-N 477.633 4.099 10 10 JICE CC(=O)N(c1nc(C=C2SC(=S)N(CCC(=O)O)C2=O)cs1)c1cccc(C)c1C 2040447895 YVTBAOUAXICMNH-UHFFFAOYSA-N 461.590 4.120 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079984793 HYMHOMBEOIHXAF-KRWDZBQOSA-N 452.292 4.385 10 10 JICE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106846539 OJSJLORBLZCLQV-KRWDZBQOSA-N 460.619 4.398 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3ccc(I)o3)SC2=S)cc1 2293355667 MVDAOXXBZIEKRU-UHFFFAOYSA-N 457.314 4.294 10 10 JICE Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)c1 2294216989 WPMVJIXDIGBDCC-UHFFFAOYSA-N 473.554 4.240 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OC 2313548699 CIXNTBIAFUFITC-UHFFFAOYSA-N 479.714 4.095 10 10 JICE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323812863 WFQDFKHCWRWKGB-SNVBAGLBSA-N 450.763 4.263 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc2NC1=O 11858028 PAHZZIQIAIEBLZ-MRVPVSSYSA-N 486.394 4.154 10 10 JICE CN1CCN(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 20902543 PRWBWRVXVIBQPH-UHFFFAOYSA-N 456.634 4.390 10 10 JICE COc1ccc(N2CCN(CCN[C@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 22937424 SILRNLKOTYJQAQ-SANMLTNESA-N 487.579 4.386 10 10 JICE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccccc1C 27531695 QHFHVEJNTAAPKX-RCCKNPSSSA-N 459.589 4.309 10 10 JICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 33469494 CMJWPOBIFRUZCP-KGENOOAVSA-N 478.643 4.440 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54430615 POEKBHOIVGPMAK-NRFANRHFSA-N 450.004 4.407 10 10 JICE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc(F)ccc4F)C3=O)c2C)c1 59271030 CDMMPDGIIMTUKV-RUZDIDTESA-N 451.473 4.331 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 210757967 UIODBTKCPLAULJ-FOWTUZBSSA-N 493.632 4.266 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)CC2)cc1 248124692 HCDRBAGZXYKNCR-RZFJZAQRSA-N 461.606 4.207 10 10 JICE Cc1csc([C@H](C)NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1 727669851 TXWHOXMIESPIKQ-ODYDIQAQSA-N 482.450 4.293 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)[C@@H](C)C1 1286877220 VISNGOAGLBKFRV-HNNXBMFYSA-N 477.059 4.294 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC[C@@H]1CCOC1 1705479736 OHCPEPMQMANIEM-OFNKIYASSA-N 461.610 4.254 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(C)cccc4C)n4ccccc34)CC2)cc1 1858226953 RIFANCDRZVVXSZ-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 1858591431 LQCQPCAHGWGWNW-RVDMUPIBSA-N 455.399 4.271 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 1858594290 SSJZFABYKDOEIF-HDAKKWKLSA-N 457.573 4.381 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011544 JKXNOKYZNBLWAY-JOCHJYFZSA-N 496.995 4.305 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864021586 QAWIMMQQMOMSNQ-QFIPXVFZSA-N 482.625 4.436 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868661209 NYHOBWNHRGZPRY-QEBGPUIJSA-N 495.689 4.248 10 10 JICE CCCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870656578 LWCAQNKTSGYEIV-UHFFFAOYSA-N 479.596 4.350 10 10 JICE CCCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871678816 DMINOELVYVKCIL-UHFFFAOYSA-N 487.530 4.213 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427425 MPPXDCMFMUDMML-UHFFFAOYSA-N 497.643 4.446 10 10 JICE COc1ccc(OC2(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CCOCC2)cc1 1874178904 ABHAXNKBXKRGDV-UHFFFAOYSA-N 457.482 4.037 10 10 JICE O=C(Cc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccco1 1874179332 YNPNVUUAYRZAJY-UHFFFAOYSA-N 464.477 4.166 10 10 JICE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1874180762 PKTNWKSMELBCMZ-VWLOTQADSA-N 474.516 4.442 10 10 JICE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1cc(Br)cc(Br)c1O 1952223080 ZTQDPHYKWWVWFB-ZDUSSCGKSA-N 450.171 4.189 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 2294208512 PQHZWVQVQQGTCC-UHFFFAOYSA-N 495.782 4.341 10 10 JICE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712334 ZRGWOTDHKNWBGB-UHFFFAOYSA-N 471.991 4.305 10 10 JICE CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c1 2297352684 LOPVNXGTOIKKOU-UHFFFAOYSA-N 477.546 4.186 10 10 JICE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1 2297499608 PFEXZBVEUGDPBI-UHFFFAOYSA-N 488.617 4.343 10 10 JICE O=C(CN1C(=O)SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 2297560191 XKRWKTRBCUCQIC-UHFFFAOYSA-N 466.519 4.260 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 2297617364 UQWHGECUADFBCP-UHFFFAOYSA-N 478.892 4.318 10 10 JICE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl 2313548771 FMMAKUGZLMUXLO-UHFFFAOYSA-N 480.860 4.062 10 10 JICE CCOc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 2314836975 MMUYXTBKOFUDIY-CYBMUJFWSA-N 458.561 4.028 10 10 JICE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccc(F)cc1 15056214 CWPPAWYDIOZJEG-NVNXTCNLSA-N 467.341 4.095 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 33403518 BRPPOZVIVFYVTO-CPNJWEJPSA-N 481.302 4.347 10 10 JICE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066656 IMFKYRVROWZLMF-OCKHKDLRSA-N 470.595 4.174 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 40324273 RRUHRGPEXGZOJJ-BKUYFWCQSA-N 479.583 4.258 10 10 JICE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)cc2C)C1 1705917804 XYDWXZBBMGVQIL-FQEVSTJZSA-N 485.430 4.240 10 10 JICE CCCCOC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858844534 IGURXYXBLXJVRZ-UHFFFAOYSA-N 473.485 4.223 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008370 JCZWUWJMRWCUHT-CRICUBBOSA-N 496.567 4.472 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864009808 FDUPWARURFMBLQ-NRFANRHFSA-N 496.995 4.356 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864020208 WXVYFWJKAOKWOT-SBUREZEXSA-N 490.604 4.131 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869081287 HCHWBEMTLPODOX-SZPZYZBQSA-N 473.621 4.016 10 10 JICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419369 BHISHZFDCYVCCT-VWLOTQADSA-N 498.583 4.424 10 10 JICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873419709 QAGKIASDQLXHEN-JOCHJYFZSA-N 499.567 4.252 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(I)ccc2O)C1 1952447356 FQVXZMVFGZSKJE-RHSMWYFYSA-N 481.286 4.171 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079881360 UPYLEBXJIJIAJA-OAHLLOKOSA-N 462.234 4.342 10 10 JICE O=C1NC(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 2297361601 KAGWAHOQQDEMTB-UHFFFAOYSA-N 490.809 4.359 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2314650503 KOCLNEAVJVKPRK-LBPRGKRZSA-N 474.541 4.076 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S)c1cccc(Cl)c1 2314764900 ORIJSXOZLREDAI-UHFFFAOYSA-N 469.769 4.354 10 10 JICE COc1cc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)ccc1O 12499005 JTNLDPOCXWILIV-VIZOYTHASA-N 455.344 4.254 10 10 JICE CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(C)C2=O)sc(C)c1C 39793583 FVNQTHKLMJNXND-BMRADRMJSA-N 474.629 4.467 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2ccc(Cn3cnnc3)cc2)cc1 205965552 IQWYUYXDKQVWEF-NCELDCMTSA-N 464.529 4.472 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)c1OC 526560009 FDKZQXNZVRCWKC-NRFANRHFSA-N 455.413 4.450 10 10 JICE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1[N+](=O)[O-] 1084030046 XSAQQXIOHVQHEM-WQRHYEAKSA-N 478.505 4.281 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025680 BNEBRNCTKOCYHV-JOCHJYFZSA-N 494.979 4.012 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028211 RRXALTUNEVXIRM-JLCFBVMHSA-N 494.979 4.341 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029069 FLEMEYXTVKCURX-VWLOTQADSA-N 496.567 4.452 10 10 JICE CCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665230 IIEKYFRZPCUWIE-JJIBRWJFSA-N 477.605 4.215 10 10 JICE CCCCC[C@@H](CC)NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873891541 FVQGWNGKLBUVPK-GOSISDBHSA-N 479.529 4.401 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 2294133918 MPKHXZSVLKLQBB-UHFFFAOYSA-N 458.474 4.286 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O 2297351403 CALUWWXSCXQEHY-UHFFFAOYSA-N 451.910 4.246 10 10 JICE Cc1cccc(C)c1OCCCn1cccc1C=C1C(=N)N2N=C(N3CCCC3)SC2=NC1=O 2297499611 PLFCLIMLJLUGHN-UHFFFAOYSA-N 476.606 4.247 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2314414125 QGVAVSYZVLVCSN-INIZCTEOSA-N 464.616 4.349 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C3CCCC3)C2=O)CC1 2314650422 GBNFICRUGGYTGE-UHFFFAOYSA-N 466.632 4.080 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1O 2314765152 WGLAZNSIDWYASB-UHFFFAOYSA-N 499.795 4.363 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC)C(=O)O 2314932259 LICXGDMPACOPKM-QGZVFWFLSA-N 486.571 4.301 10 10 JICE COc1cc(C=C2SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc(OC)c1OC 2321730187 UQXARUNAZYOWIM-UHFFFAOYSA-N 455.561 4.033 10 10 JICE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323865894 ORLNFOBYSGGSKP-OAHLLOKOSA-N 466.353 4.485 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329506818 JARHFTWBBHOIER-MUUNZHRXSA-N 463.622 4.295 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330399278 IBOUPDNARJFCTP-SANMLTNESA-N 495.689 4.419 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2341827858 AYZOMPXRLRPYAK-QHAWAJNXSA-N 462.635 4.168 10 10 JICE O=C1[C@@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 2414190 REFKVHSIRLCZNS-WAZHLZHFSA-N 483.907 4.376 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Br)cc1 20287540 PQTLRTJRUOVCQR-XDHOZWIPSA-N 473.283 4.009 10 10 JICE CCc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 20356593 OSRFPAVQZCBFER-ZRAMOQLOSA-N 476.606 4.192 10 10 JICE Cc1cccc(Oc2cc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)ncn2)c1C 33312042 DBZNBLGENAFPJH-UHFFFAOYSA-N 459.594 4.485 10 10 JICE COC(=O)/C=C\c1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 97288925 QJXZUEMKORVLHN-NGNXSQLZSA-N 452.442 4.354 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCCOC(C)C)cc1 205961042 PBLSBXMSASFTRP-OQKWZONESA-N 452.511 4.033 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247485079 KJSJEXHHOUIIBQ-ZPZUNKDASA-N 482.024 4.266 10 10 JICE O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726725639 DQAZCSAZCXSXDY-UHFFFAOYSA-N 472.536 4.002 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 1084296462 IOFKHIYHVJMTQT-LDADJPATSA-N 461.430 4.147 10 10 JICE Cc1csc(CCNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860344944 JGNKZRUFDISIGQ-UHFFFAOYSA-N 483.597 4.088 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccccc1 1860652114 UCSUKTSXDKJZHP-MOPGFXCFSA-N 470.591 4.256 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccccc1 1860652116 UCSUKTSXDKJZHP-RBUKOAKNSA-N 470.591 4.256 10 10 JICE CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867671594 WNGSAWBKDJFKSG-AHWVRZQESA-N 475.637 4.086 10 10 JICE C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867749420 HAHYASKCBSKDJH-AMGIVPHBSA-N 487.648 4.005 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(Br)cc(F)c2O)C1 1952540014 YLOMBWDPDXMSNZ-SUMWQHHRSA-N 452.276 4.468 10 10 JICE COc1ccc(Br)c(CN[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1O 2236057028 YTADCSROPUEPGM-LSTHTHJFSA-N 475.383 4.443 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 2293512355 OFMIVWNZGWAYEX-UHFFFAOYSA-N 456.079 4.128 10 10 JICE CC(=O)Nc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2296883046 KZOLEDPZTYBDOI-UHFFFAOYSA-N 474.361 4.136 10 10 JICE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S 2297349730 WFXBIEKNJFIUNV-UHFFFAOYSA-N 463.964 4.465 10 10 JICE CCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141099 GWBYMEFOQSXSIQ-UHFFFAOYSA-N 458.268 4.325 10 10 JICE Cc1ccc(CNC(=O)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2380724988 FWNUMJMYDBTEAU-SFHVURJKSA-N 451.308 4.018 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469297 LTPKMFRRZGBUPH-ZYLNGJIFSA-N 450.535 4.213 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15049069 SNSWUNICIJHMRB-NJPLLEPOSA-N 477.405 4.061 10 10 JICE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206468793 GUKWADACQZDNTQ-LTGZKZEYSA-N 471.600 4.471 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526282185 RGOUQEQCDIBKDE-XMMPIXPASA-N 473.485 4.439 10 10 JICE O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1cc2c(cc1Br)OCCO2 727244109 UIDQJBCQSADIKU-UHFFFAOYSA-N 479.377 4.243 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1084048544 GQJWAJYWPOQXPP-YBEGLDIGSA-N 455.785 4.314 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4cccc(F)c4)CC3)cccc21 1860604468 OTWQSXCCKLORFC-VAWYXSNFSA-N 482.511 4.492 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCC5)CC4)nc(C(C)C)n3)CC2)cc1 1867951476 NNJQEJYRXOQIGU-UHFFFAOYSA-N 478.685 4.390 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](c5ccc(F)cc5)C4)nc(C)n3)CC2)cc1 1869298315 MTRVILXUDWBYJL-CLOONOSVSA-N 477.584 4.226 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCN(C)C)C2=O)cc1 1873162510 YZIXYKKDRWVHHT-UHFFFAOYSA-N 495.627 4.049 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422267 OAVYOCYRUUXNJG-UHFFFAOYSA-N 490.991 4.384 10 10 JICE COc1ccc([C@@H](C)NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OC 1873994728 KKESOCNIWIWAEB-OAHLLOKOSA-N 454.482 4.223 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079007601 VYZVEJCOBGVOEZ-QGZVFWFLSA-N 452.292 4.467 10 10 JICE Cc1ccc(O)c(Cn2nc(Br)c(I)c2C(F)(F)F)c1 2079161669 YCTBAPLTCPSGNR-UHFFFAOYSA-N 461.019 4.331 10 10 JICE C[C@H]1N(Cc2ccccc2)CC[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194864571 SOIRKEDJLLKSCZ-LYZGTLIUSA-N 464.654 4.456 10 10 JICE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2201734269 KTHBJYHRYWNUDZ-KUHUBIRLSA-N 461.784 4.066 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc(OC)c1OC 2296881341 BVLFUQWCXMYPBG-UHFFFAOYSA-N 498.626 4.283 10 10 JICE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314760625 RPEBKYBJOVJTDA-HNNXBMFYSA-N 450.335 4.182 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 20114649 FYCPMSHPWOEFOB-QNBSHATCSA-N 476.923 4.100 10 10 JICE COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1Br 33317803 HYRDDIBVLOBLEB-SXGWCWSVSA-N 487.306 4.124 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 33888674 ULXBGQGVAUPDHV-FUNKKEAFSA-N 494.642 4.006 10 10 JICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989996 OBNQACAEBQDHNG-JWGURIENSA-N 492.670 4.483 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 526513537 ZYKVPSXORUMNOK-RUZDIDTESA-N 490.512 4.439 10 10 JICE CCN1C(=O)/C(=C/C=C/C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S 642773437 JLOOCJQAEWGRMY-RPAWLPDRSA-N 468.647 4.038 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCCC(C)C)CC1 1508235873 FISFPPXNLQGVMS-UHFFFAOYSA-N 492.668 4.474 10 10 JICE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(=O)NC(C)C)C1 1705917574 VZHQOJALOQCDPC-QHCPKHFHSA-N 476.625 4.049 10 10 JICE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860083709 VWRYXUNQXFQFSO-ZDUSSCGKSA-N 455.492 4.488 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1861923327 DDFVJJDTAYTALC-DEOSSOPVSA-N 463.965 4.169 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017036 CXDSVKGWAYLAOX-RBZFPXEDSA-N 482.968 4.109 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865031913 QZSOVIOAEMPWNE-OAQYLSRUSA-N 476.577 4.324 10 10 JICE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865677615 UCJZEJIVUSOHPJ-CAPFRKAQSA-N 464.566 4.314 10 10 JICE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923345 JRLQGFVWHFBVCX-RDPSFJRHSA-N 499.055 4.111 10 10 JICE CC(C)[C@@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868150966 MKHDXRGDXVQEHZ-HSZRJFAPSA-N 458.489 4.096 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4ccccc4C)n3)CC2)cc1 1869153215 SMAWXXUQCLAFGT-OAQYLSRUSA-N 459.594 4.012 10 10 JICE CCCCNC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870954748 DOXJQDHDTJUMTC-UHFFFAOYSA-N 491.636 4.061 10 10 JICE COCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168618 CBUZUIXTLJIYNP-UHFFFAOYSA-N 463.603 4.104 10 10 JICE CC(C)CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc21 1892056330 KOYQEHAYBRXJKZ-UHFFFAOYSA-N 474.608 4.290 10 10 JICE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(F)(F)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952205621 ZJZPKGMZWXZLOB-QFIPXVFZSA-N 469.440 4.268 10 10 JICE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CC2 2205860162 WAGGQXQPIKYCOW-NRFANRHFSA-N 472.630 4.398 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2297461472 BSTGFBNJXBJKRK-UHFFFAOYSA-N 494.642 4.277 10 10 JICE CCCN1C(=O)C(=Cc2cc3c(cc2Br)OCO3)C(=O)N(c2ccccc2)C1=S 2297624893 AVPVJPQWXLCMPA-UHFFFAOYSA-N 473.348 4.132 10 10 JICE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323865893 ORLNFOBYSGGSKP-HNNXBMFYSA-N 466.353 4.485 10 10 JICE COc1cc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc(Br)c1O 2323866166 YLCRPLBFMBHNOD-CQSZACIVSA-N 494.388 4.060 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)c(F)c4)C3=O)c2C)cc1 16462930 DGRSSNSQVCKUTO-RUZDIDTESA-N 451.473 4.331 10 10 JICE COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N2CCOCC2)cc1OC 20496539 QOBBXQALBVWPSO-CYBMUJFWSA-N 455.338 4.253 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1cccc(F)c1 21374683 UKSAJLTZOKJHML-MHZLTWQESA-N 459.521 4.372 10 10 JICE CN(C)c1ccc([C@H]2NC[C@H](CSc3nc(-c4ccccc4Br)n[nH]3)O2)cc1 21743321 GLPKFZHTDVGKQH-BEFAXECRSA-N 460.401 4.080 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc(Br)c1O 34235104 MMMDOHGFEITLLY-XGICHPGQSA-N 467.728 4.488 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccccc2)cc1 39920675 UEIQWASJWDQISI-QHCPKHFHSA-N 495.377 4.192 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54421823 LIFAJHRFMODJBH-RXVVDRJESA-N 479.042 4.169 10 10 JICE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c(OC)c1 59595042 ZEFDZUIRDOWMBX-WOJGMQOQSA-N 493.497 4.012 10 10 JICE CC(=O)N(C)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1519758916 VANIYFVKIOVMLI-UYRXBGFRSA-N 457.552 4.038 10 10 JICE C[C@@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 1772724920 ZDPGDOROYLNGEP-XXXRSFMGSA-N 474.648 4.235 10 10 JICE O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860567990 ZNULUZJSFJBXFC-ACCUITESSA-N 463.449 4.354 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865030456 KBUMZFORBDDDLW-TUQAPMAVSA-N 494.636 4.389 10 10 JICE CCOc1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OCC)c1OCC 1865871306 ANFPHIXTQQPNBH-QHCPKHFHSA-N 466.582 4.202 10 10 JICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)CC1 1867964071 LYCABVMZISAQBM-UHFFFAOYSA-N 486.664 4.319 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4ccccc4)n3)CC2)cc1 1867972366 VJOIEBRCLMEDHY-DEOSSOPVSA-N 473.621 4.220 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccccc3)C3CC3)C(C)C)CC2)cc1 1868684626 WCBPZKKQBOIYRG-AHKZPQOWSA-N 463.622 4.069 10 10 JICE CCCCCOC(=O)COc1cn(CCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870420131 GPULGOZJNDRWIP-UHFFFAOYSA-N 499.652 4.091 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517401 YJTYENVWOWHEJS-UHFFFAOYSA-N 499.594 4.432 10 10 JICE O=C(N[C@]1(c2cc(Br)cc(Br)c2O)C[C@H]1C(=O)O)OCc1ccccc1 1952774362 GRYGKDMNRLTTFT-UGSOOPFHSA-N 485.128 4.143 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2cc(Br)ccc2O)C1 2025234435 SSRCXGFLTUJOAW-NRFANRHFSA-N 490.442 4.366 10 10 JICE Cc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 2293441571 PXUVDBGJDVHLAE-UHFFFAOYSA-N 456.498 4.428 10 10 JICE COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2296659686 LJPDDJBIDWOIET-UHFFFAOYSA-N 456.292 4.113 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2313681970 RSSOZTKLONGUJU-UHFFFAOYSA-N 465.510 4.130 10 10 JICE CCOC(=O)[C@H]1CCCN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 4128295 QAHDWZXCTKMXLH-HNNXBMFYSA-N 477.517 4.095 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)sc2c1CCCC2 9342255 XJEJZGSSAUGQQX-OAHLLOKOSA-N 456.564 4.112 10 10 JICE O=C(O)CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 15034404 XIUYIXOENFSWPD-PDGQHHTCSA-N 490.990 4.424 10 10 JICE Cc1ccc(O)c(NC(=O)CN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)c1 16922614 QOYLIDYUCABPOZ-SXGWCWSVSA-N 450.488 4.142 10 10 JICE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1C 33424065 KBBKLRWVHBMSDT-GRSHGNNSSA-N 487.468 4.336 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 34107191 JBWXSRGHVMUZQI-VZUCSPMQSA-N 457.067 4.126 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)c(C)n1-c1ccc(F)cc1 62694668 OZEKCVLSAOMCCB-UHFFFAOYSA-N 473.470 4.291 10 10 JICE O=C(CNc1ccccc1C(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 257668871 ZAISBOQLLWOMNY-UHFFFAOYSA-N 462.571 4.387 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526285114 WGSMXGOLWVVYKX-QFIPXVFZSA-N 459.458 4.049 10 10 JICE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 1081112807 FQSZSFDJZIMEGW-ZSOIEALJSA-N 496.307 4.241 10 10 JICE Cc1nn(-c2ccccc2)c(C)c1N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1083984669 RJXOHGSKRVRYOU-RCCKNPSSSA-N 451.486 4.221 10 10 JICE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1857992576 UERMJMMEXFIIMJ-UHFFFAOYSA-N 474.586 4.315 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2nc[nH]c2c1 1860345277 ZHLKJZXIRNIQBN-UHFFFAOYSA-N 474.524 4.479 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864008645 OXLKDQMMJJJYPP-QFIPXVFZSA-N 494.979 4.389 10 10 JICE CCOc1cc(NC(=O)c2cc(O)c(O)c(O)c2)c(OCC)cc1NC(=O)c1ccccc1 1865876152 UXGYCEUMUKULSH-UHFFFAOYSA-N 452.463 4.105 10 10 JICE CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867051485 BODHXFWZRFBAJW-VSKRKVRLSA-N 452.510 4.099 10 10 JICE CCCC[C@@H](NC(=O)Cc1ccc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867257666 ANLORXKJNIZZIT-JOCHJYFZSA-N 458.514 4.220 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867403522 LHWWUZMEBSRFDK-HSZRJFAPSA-N 471.045 4.258 10 10 JICE CCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168730 HPFPYPIGLDKMRB-UHFFFAOYSA-N 459.546 4.001 10 10 JICE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)cc1C 2079978704 FVEQCAVAIBHKSW-GOSISDBHSA-N 465.335 4.176 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 2294095092 IRNCXWCSDGNGGD-UHFFFAOYSA-N 470.481 4.193 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2296540698 HRKTTYVRESJCHB-GASCZTMLSA-N 456.637 4.095 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC 2296879809 DJBHCUXUPKZZMS-UHFFFAOYSA-N 479.377 4.013 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 2313548695 CHDMOCNKDBBHHW-UHFFFAOYSA-N 490.487 4.478 10 10 JICE O=C1C(=C2SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc2N1CN1CCCCC1 2313621549 QYLGQNCWTYKTSK-UHFFFAOYSA-N 453.564 4.392 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2314504462 ROQRSNBWVLCIEP-UHFFFAOYSA-N 495.582 4.115 10 10 JICE COC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314754832 DSEIJTVVBPCTRY-UHFFFAOYSA-N 458.399 4.392 10 10 JICE COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20236502 CZFWXJLPTXQFPK-ZIJAOZNWSA-N 463.490 4.002 10 10 JICE O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 33313388 ZPLICDXSNRRYRP-WQLSENKSSA-N 479.670 4.073 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210723275 JOLJPJIHPNIZDT-SFQUDFHCSA-N 472.504 4.123 10 10 JICE CCc1sc(NC(=O)[C@@H]2CCCNC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865973829 HTCXGXBXGCNFMY-CYBMUJFWSA-N 451.386 4.465 10 10 JICE O=C(CCc1ccco1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866578014 GQDHJKNKXAAICW-SANMLTNESA-N 478.504 4.484 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905713 YQHWGXUUFSNBKK-NAKRPHOHSA-N 464.654 4.303 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868662387 JARHFTWBBHOIER-NMUBOVIUSA-N 463.622 4.295 10 10 JICE CCN(CC)CCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871017817 UJYOOSNQCUNMJD-UHFFFAOYSA-N 491.636 4.061 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 2297302363 RSXIHKRPDWZYHF-UHFFFAOYSA-N 455.253 4.385 10 10 JICE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 2297533149 YLQAYOIFFSHJMQ-UHFFFAOYSA-N 465.306 4.492 10 10 JICE CCOC(=O)c1cc(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2)ccc1Cl 2297560771 QPOJCYJILAGTOY-UHFFFAOYSA-N 490.990 4.365 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15035978 FQDVUZHYDJYUMF-BOPFTXTBSA-N 460.964 4.357 10 10 JICE O=C(O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 16906027 VTVYQEPRFJBHJU-VGOFMYFVSA-N 453.328 4.238 10 10 JICE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392966 VEFZQUSGWDKYPJ-UOEVCUDDSA-N 496.683 4.081 10 10 JICE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 96475741 WRLIKXNOVXZFBJ-HOMCDIFHSA-N 457.493 4.193 10 10 JICE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1 170549581 OPXIOQIJKJTBPN-UHFFFAOYSA-N 457.577 4.182 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526278753 GZHAXHWABRHHLT-DEOSSOPVSA-N 491.496 4.349 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c(C)c1 727243802 YGNHMYUEDOWJSB-SFHVURJKSA-N 489.619 4.303 10 10 JICE O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860554559 LMVLPKCNVRMSNX-UHFFFAOYSA-N 461.477 4.291 10 10 JICE Cc1cc(Br)c(N)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1866210805 SNLAWNAGGUPIAW-OAQYLSRUSA-N 459.432 4.363 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(F)cc(Br)cc4c3=O)cccc21 1866441778 ORJNZAQVKFKTGG-UHFFFAOYSA-N 491.272 4.457 10 10 JICE CC(C)COc1cccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867696051 KIKFPAORFGVIQM-AJTFRIOCSA-N 494.680 4.249 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513153 ZDOMHBXKOQQOLL-UHFFFAOYSA-N 496.059 4.358 10 10 JICE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873423217 AAFRUAVWQKBULU-UHFFFAOYSA-N 471.557 4.410 10 10 JICE CC[C@H](N[C@H]1COCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2095856477 HKIXESGVVSIRQE-QUCCMNQESA-N 463.372 4.233 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@@H](NC(=O)OCc4ccccc4)C3)ccc(N)c2C1 2264022295 UVOYUCSMLMBXRD-HXUWFJFHSA-N 480.609 4.457 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F 2297341666 XVHNMPNHOSZPPT-UHFFFAOYSA-N 466.852 4.430 10 10 JICE CS(=O)(=O)Oc1ccc(Br)cc1C=C1SC(=S)N(c2ccc(F)cc2)C1=O 2297356877 SKNYEXJNPOXXLW-UHFFFAOYSA-N 488.381 4.332 10 10 JICE COCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 2314506105 AWQCDRZDENDSFP-UHFFFAOYSA-N 481.599 4.260 10 10 JICE CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)S1 3662777 XWICAQACJOHWTB-PXNMLYILSA-N 465.314 4.377 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639576 DAUSAVXFFABPLT-LZCXECNNSA-N 462.571 4.445 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15044424 KHRWMAQQWVMVGB-RGEXLXHISA-N 470.572 4.491 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCN(C)C(C)C)[C@H](C)C1 1508240659 XPYUXKHMBVFZAH-JOCHJYFZSA-N 491.684 4.140 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@](=O)C(C)(C)C 1705480878 YYLBJTHQXSPSJC-UPTQXZAWSA-N 451.640 4.358 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)sc(C)c1-c1ccccc1 1860747444 JJKAMKUXRMDSKG-UHFFFAOYSA-N 468.531 4.495 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(OC)c(OC)c5)[nH]c4c3)CC2)cc1 1861865929 ZNACAOIZKWSDCX-UHFFFAOYSA-N 486.572 4.142 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864020105 WEVUCZZIBBIPQU-HXUWFJFHSA-N 482.968 4.110 10 10 JICE COc1ccc([C@H](C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868878695 SOHJCINIGFPHFM-AREMUKBSSA-N 493.648 4.221 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651693 DKYKEYDQOSVMLS-UHFFFAOYSA-N 475.641 4.095 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873167803 YFZLZAFOBYKXMQ-UHFFFAOYSA-N 494.680 4.311 10 10 JICE C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017428 PVANBWXVYRUGOS-HNNXBMFYSA-N 479.488 4.463 10 10 JICE CN(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S 2040466695 LMCGKSDEJNHNHN-UHFFFAOYSA-N 480.611 4.036 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1 2293188519 VOZHNSLGMUNXMX-UHFFFAOYSA-N 450.520 4.182 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c(OC)c1 2297499609 PFKMUCJIAOVYNO-UHFFFAOYSA-N 486.557 4.174 10 10 JICE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1Br 2297577764 ZMEJPKHUXAWDLI-UHFFFAOYSA-N 451.367 4.142 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Br)s2)nc1-c1ccc2c(c1)NC(=O)CO2 11858021 VGLOVFZVAUAREC-UHFFFAOYSA-N 486.394 4.074 10 10 JICE Cc1ccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1C 18245270 NQSKVSRRQKTEEL-UHFFFAOYSA-N 472.614 4.477 10 10 JICE O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 27531248 IOUDTOHLUMFKAX-UCQKPKSFSA-N 474.497 4.492 10 10 JICE Cc1ccc(Cn2c(=O)c(SCC(=O)NCc3ccc(N(C)C)cc3)nc3ccccc32)cc1 33006856 TUDOIOALXMWXAW-UHFFFAOYSA-N 472.614 4.228 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152346 PHPJQGWSTDVSAF-FDIDITGRSA-N 457.533 4.222 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)CSc3ccc(F)cc3)c3ccco3)CC2)cc1 56943680 ANZPCENFTRXOCI-HSZRJFAPSA-N 469.582 4.199 10 10 JICE CCN(CC)c1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 256025137 JMGHGIVYNNQPJH-MIZPHKNDSA-N 463.500 4.321 10 10 JICE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1705731081 RWWRNHPHZBNGRM-URXFXBBRSA-N 479.625 4.185 10 10 JICE Cc1cc(=O)c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1Cl 1859616464 JXAVNCHPPHEOHE-UHFFFAOYSA-N 469.884 4.222 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864016267 KVQAMKYNKUMDDE-OAQYLSRUSA-N 476.577 4.372 10 10 JICE CCCOc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871724332 MORLWHGIFOQWTQ-UHFFFAOYSA-N 491.640 4.229 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O 1873169446 AXFDGXLFPIXWMU-UHFFFAOYSA-N 471.557 4.160 10 10 JICE CSc1ccc(C=C2SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)C2=O)cc1 2040437311 PUPDRUGIQARIAX-NRFANRHFSA-N 497.642 4.016 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(N)c2I)c(O)c1 2080042959 NTDBCFFSVFVWEI-GOSISDBHSA-N 453.324 4.441 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2294082197 PQALTSVOMXKWNR-UHFFFAOYSA-N 456.292 4.113 10 10 JICE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2296849533 KWKFNKFIGHGEDZ-UHFFFAOYSA-N 467.572 4.353 10 10 JICE CCOc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc(I)c1O 2297361392 SXFZMAFYSPOUSQ-UHFFFAOYSA-N 487.340 4.390 10 10 JICE O=C(CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15038253 PBRRAWSVUGTJLO-WQRHYEAKSA-N 452.517 4.306 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N12 96450475 ZZGZKKLCWDAUOZ-ZKEXVTLTSA-N 452.561 4.392 10 10 JICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 102463950 UJNJRIWBMGRQOI-INYGCOGDSA-N 475.574 4.125 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526395485 NUWMSSHPNXFZES-XMMPIXPASA-N 476.485 4.131 10 10 JICE CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)SC1=S 915838299 APOBQTUUBZUMTQ-VCHYOVAHSA-N 459.545 4.153 10 10 JICE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2cccc3cccnc23)c(O)nc1=O 1087662728 NZDXMLBLYOJRRA-CCEZHUSRSA-N 469.545 4.126 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)C1 1540938179 VWUCXNZCJYTONH-NEKDWFFYSA-N 492.668 4.064 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861902645 OBWQIZAFCWDNMA-VWLOTQADSA-N 457.574 4.110 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(-c4ccccn4)n3)CC2)cc1 1862310976 NLLFUTIGNLNYTH-UHFFFAOYSA-N 467.573 4.024 10 10 JICE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865973362 VCHUJSGTKNXICD-GOTSBHOMSA-N 460.663 4.335 10 10 JICE COc1ccc(F)cc1-c1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C 1868177867 CNMDOOROJXKTGQ-UHFFFAOYSA-N 455.445 4.263 10 10 JICE COC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870870660 MLVUZWRHJQVBGO-UHFFFAOYSA-N 470.529 4.199 10 10 JICE CCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1873555847 MXWPZWNYVNTKHY-UHFFFAOYSA-N 498.631 4.297 10 10 JICE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2079848932 PIZBXUMEVDYJII-NSHDSACASA-N 472.323 4.285 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@]1(CN)CN(C(=O)OC(C)(C)C)C1(C)C 2194852319 ZTUSWSGDTKSXBR-SANMLTNESA-N 474.646 4.191 10 10 JICE COCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296538222 GNPNFRQZZKYMDJ-UHFFFAOYSA-N 489.416 4.214 10 10 JICE N=C1C(=Cc2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccco3)=NN12 2297346828 KNNAIXKNSMSLHL-UHFFFAOYSA-N 466.866 4.299 10 10 JICE O=C1NN(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2297505987 NPWDBFMYLLMPMX-UHFFFAOYSA-N 472.520 4.032 10 10 JICE COCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672163 GAQXHNDAXMBTFW-VHEBQXMUSA-N 458.992 4.495 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 14470814 QXWUDBBJACCLDB-BSRJHKFKSA-N 488.997 4.011 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(Br)c3)c3ccco3)CC2)cc1 38598218 QNERNZSXUNFAMZ-JOCHJYFZSA-N 484.394 4.344 10 10 JICE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccccc1OCC(=O)NC1CCCCC1 101573341 UYYATIPMTHRFMY-JCMHNJIXSA-N 461.518 4.019 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)sc2c1 208741803 DHYMCKYWXXYJDM-RQZCQDPDSA-N 455.586 4.453 10 10 JICE CCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@H]34)cc12 1614473000 ZJECBEHNJWVTRZ-ZJSXRUAMSA-N 456.627 4.472 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864014559 YGKGTMYWQFJHBA-UWJYYQICSA-N 470.614 4.436 10 10 JICE CCc1sc(NC(=O)C2(C(=O)OC)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866182779 AGPLAFHBACQLQG-UHFFFAOYSA-N 466.353 4.418 10 10 JICE CC1(C)[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1c1nc(O)c2ccccc2n1 1874179253 VLMTYKVYUGLSBE-VXKWHMMOSA-N 463.493 4.489 10 10 JICE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 2146729886 YCYFTEWCCKWPBV-CVEARBPZSA-N 463.800 4.312 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)NC1=S 2293826916 GHAMRYJYPRHWPW-UHFFFAOYSA-N 482.359 4.085 10 10 JICE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296541949 SRSFAKRJXVODQU-IAGOWNOFSA-N 470.664 4.342 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 2296740233 NRCYFYJUYFAIHO-UHFFFAOYSA-N 451.573 4.058 10 10 JICE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296848574 HBBRLLJTEURWSH-UHFFFAOYSA-N 488.638 4.401 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2313499145 QXDOBRBJWINPJT-LJQANCHMSA-N 476.573 4.271 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCOC)C2=O)cc1 2314504403 MRAAMTKFJBZYKM-UHFFFAOYSA-N 481.599 4.287 10 10 JICE CCCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105170 DWWHDBSGONUYER-UHFFFAOYSA-N 481.568 4.127 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(F)cc(F)c3)ccc21 15962024 XEDZGHNWQGOKNU-UHFFFAOYSA-N 474.621 4.269 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 20236639 QRPUWWOTZVMKJQ-HPFDFQMNSA-N 451.866 4.408 10 10 JICE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCC(C)CC2)SC1=S 33470195 QUYRCSLYMSAORU-CPNJWEJPSA-N 458.653 4.286 10 10 JICE COc1cc(C)c2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(O)c2c1 1866508343 CKPPCUGFDCCXQR-DEOSSOPVSA-N 462.594 4.280 10 10 JICE Cc1ccc(CC(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1867258892 OHUWFONNBGXRTL-AREMUKBSSA-N 478.504 4.402 10 10 JICE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873168139 KFUNYSXHOYUSDZ-KRWDZBQOSA-N 471.557 4.491 10 10 JICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873420221 KMCKPYBFZJGFOS-UHFFFAOYSA-N 487.556 4.109 10 10 JICE COc1ccc(CN=c2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1874179125 OOMJONTXBHQKPQ-UHFFFAOYSA-N 469.522 4.213 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079037115 DBKXHDXDYXSCID-CYBMUJFWSA-N 480.224 4.307 10 10 JICE O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2 2296939462 GAAXWCLLIVPWDC-UHFFFAOYSA-N 471.504 4.236 10 10 JICE CCN1C(=O)C(=Cc2cn(CC(C)C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509106 WRSGTDYQTUMXSE-UHFFFAOYSA-N 493.629 4.225 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 20235838 ODNJSTHRZVNKMZ-QDTGPSGXSA-N 453.882 4.257 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2ccc3c(c2)OCO3)cc1 20288650 IEXWAIKMZNNEHX-KOEQRZSOSA-N 471.513 4.247 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCC(C)CC3)nc12 33528816 XVANZZYMXGNANB-GBWPRGQCSA-N 498.674 4.374 10 10 JICE Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]23)c1 105526423 SMMJTBMRNQENQR-NSXWQBIQSA-N 465.505 4.247 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1nnc(-c2ccccc2)o1 206725860 RXCMWKJZUNTFRY-SAPNQHFASA-N 484.628 4.138 10 10 JICE O=C(Nc1cccc(C(=O)NCc2ccccn2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699836 ZFBCYSPDCLHDGQ-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1OC 1084088484 YQAISXGWGQDWLJ-YBEGLDIGSA-N 481.302 4.286 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)c2)CC1 1556218854 DQIPWCIPIKVRJD-UHFFFAOYSA-N 455.558 4.455 10 10 JICE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)sc(C)c1-c1ccccc1 1866269967 KHEYJFMGUVFSKY-UHFFFAOYSA-N 491.525 4.023 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 1871343503 PICHQYRMBKHUHV-UHFFFAOYSA-N 460.577 4.349 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cccc([N+](=O)[O-])c5)[nH]c4c3)CC2)cc1 1873506804 QJQHXKIQYWORLS-UHFFFAOYSA-N 457.490 4.109 10 10 JICE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c(O)c1 1873875439 GUHIQPUQGMFOFD-UHFFFAOYSA-N 450.498 4.227 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@]4(CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2106804250 ZHBRCOCAMWQQKZ-RUZDIDTESA-N 458.603 4.152 10 10 JICE CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194843507 KBVSPGVWUBYFPR-OAQYLSRUSA-N 476.662 4.437 10 10 JICE Cc1ccc(N2NC(=O)C(=Cc3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1Cl 2296971339 IEJUZSVZVPQRNT-UHFFFAOYSA-N 454.914 4.254 10 10 JICE COc1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 2297321056 GSESWXDXTBILJW-UHFFFAOYSA-N 459.527 4.365 10 10 JICE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297352874 QMOGHIPXJVAOMB-UHFFFAOYSA-N 489.601 4.434 10 10 JICE C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397556 XSPWMYDZDRQXEU-LLVKDONJSA-N 494.953 4.171 10 10 JICE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c1 2314817673 NAPMUNJCJQJCJO-UHFFFAOYSA-N 492.626 4.432 10 10 JICE COC(=O)[C@H](C)N1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1810205 GRECDUDMDXANTA-HNAMICAMSA-N 472.975 4.020 10 10 JICE Cc1cc(O)ccc1NC(=O)CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S 16922611 VOPKNPVTMKQKIV-SXGWCWSVSA-N 450.488 4.142 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(c3ccccc3F)=NN12 20210742 RGTKLKVZVSNWNR-HGPWHKJCSA-N 460.450 4.192 10 10 JICE COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 33330751 LJPDDJBIDWOIET-LDADJPATSA-N 456.292 4.113 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1cccs1 35962097 HVCXGTRSCDIJNR-NRFANRHFSA-N 485.009 4.207 10 10 JICE COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)c2c1 102429401 XFLXVDXTMSSHKP-XDHOZWIPSA-N 471.629 4.188 10 10 JICE O=C1C(O)=C(c2ccc(F)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526502708 XVGGYJVHCQQBPN-DEOSSOPVSA-N 462.477 4.131 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526511941 OKXVBQGXSQKUCY-RUZDIDTESA-N 490.512 4.439 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084312661 FPTSIRJUNKYXFI-BKUYFWCQSA-N 457.486 4.109 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)c2)CC1 1216724489 ZAUSOVAHXZMFHQ-UHFFFAOYSA-N 459.594 4.127 10 10 JICE COc1ccc2c(c1)c(CNCCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)cn2C 1860715385 HOQTWYLTYWBKAF-UHFFFAOYSA-N 467.525 4.081 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028659 XKICMXLQNOJWOX-QFIPXVFZSA-N 494.979 4.198 10 10 JICE CCCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857033 OVYPKOPOGXKGEV-KAYWLYCHSA-N 495.664 4.467 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(C(F)(F)F)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871309272 VXLNTPZLFWFIRS-UHFFFAOYSA-N 474.443 4.482 10 10 JICE CCN(CC)CCN1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164061 KJJBHLHEEORQSP-UHFFFAOYSA-N 470.617 4.306 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873164579 IDWIEKHOXNRERE-XMMPIXPASA-N 473.548 4.282 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1c1cc(Br)cc(Br)c1O 1952826176 VJDLHIFOFOVXGK-BXKDBHETSA-N 465.138 4.300 10 10 JICE CN(C)Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1O 1952950656 MODWLWMPGBCBLB-YWEHKCAJSA-N 472.541 4.292 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080053021 FKDDCURAWWSVBN-CQSZACIVSA-N 466.241 4.321 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O 2297322415 BAHWDLGBNVSDJN-UHFFFAOYSA-N 481.755 4.038 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560335 QGLKAVKPIBZCQB-UHFFFAOYSA-N 456.502 4.061 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 2323812574 DQQRFJJLIIZHJG-KRWDZBQOSA-N 473.572 4.087 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 15044867 HZFIAJDBBRLFSG-SSZFMOIBSA-N 455.001 4.083 10 10 JICE O=[N+]([O-])c1ccc(/N=N/C(Cl)(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 25500935 SRWLWPXMRGDQJW-QURGRASLSA-N 479.923 4.476 10 10 JICE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCOCCOc1ccccc1 27531764 JPWOLFZOMNMLSM-PTGBLXJZSA-N 478.932 4.276 10 10 JICE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCCCC5)cc34)CC2)cc1 65002087 ODKAWQSFZYYJQR-UHFFFAOYSA-N 487.648 4.176 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N(C)c2ccccc2C(=O)O)C1=O 210494716 HXPXUDCSHJUPLA-CAOIWOLBSA-N 452.557 4.195 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526395448 MUGBGQWIBIZLIR-HSZRJFAPSA-N 476.485 4.131 10 10 JICE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 792099322 CJOJZDFQJBRWGP-VWLOTQADSA-N 462.521 4.495 10 10 JICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864007573 PPZZKNGPFNZOHI-LJQANCHMSA-N 489.359 4.118 10 10 JICE CCCCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552848 WSGTXXDSJCULTB-OAQYLSRUSA-N 490.652 4.439 10 10 JICE CCN1C(=O)c2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2Oc2ccccc21 1892197294 TXWMVITZVBGFLZ-UHFFFAOYSA-N 452.517 4.265 10 10 JICE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 2314717463 ZWDZWMASIVCQRW-UHFFFAOYSA-N 458.948 4.026 10 10 JICE O=C(O)Cc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)cc1 2314935386 OOCUUVHZQUNCEC-UHFFFAOYSA-N 492.525 4.145 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3cccc(Br)c3)C2=O)c1 2320656222 YUWUIXLMLRVQSU-UHFFFAOYSA-N 477.405 4.089 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 103218928 NNJKUHSCYCCMPK-DEDYPNTBSA-N 463.446 4.358 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526264417 MLIQDXABJLDBJP-HSZRJFAPSA-N 461.470 4.375 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 1859573602 NYXWMPLEBYCOQX-UHFFFAOYSA-N 484.559 4.020 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2ccccc2F)CC1 1860484604 VVNLDMFFWAZSJY-CYYJNZCTSA-N 457.550 4.281 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862118563 QVEREBIKANAXDL-SANMLTNESA-N 487.625 4.226 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028466 VQIQLNFACVFXRR-FPTDNZKUSA-N 494.979 4.341 10 10 JICE CCOc1ccc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1 1866291553 GDMJPXRIEPZORC-XMMPIXPASA-N 463.578 4.215 10 10 JICE C[C@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866711663 FWJLTAXHWQHDOH-GAJHUEQPSA-N 466.537 4.489 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867972238 SGZPFDRUDVNDBN-UHFFFAOYSA-N 461.610 4.078 10 10 JICE O=C(C[C@@H](c1ccccc1)C1CC1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868140001 GLCHPIDGSZKGEN-QFIPXVFZSA-N 452.510 4.101 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079137980 FNLLLFNJLMVVFJ-QGZVFWFLSA-N 453.324 4.114 10 10 JICE O=[N+]([O-])c1c(I)nn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)(F)F 2079214471 HBDNSIDPYSNVNV-UHFFFAOYSA-N 481.090 4.187 10 10 JICE CC(C)(C)OC(=O)N[C@]1([C@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106821056 QLJPEYDPQCNRDK-SHQCIBLASA-N 451.611 4.490 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541928 NZOSLJZTDWCHRR-IYBDPMFKSA-N 456.637 4.096 10 10 JICE Cc1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)cc1 2297306634 MAYOCCAKHAMZLB-UHFFFAOYSA-N 474.560 4.209 10 10 JICE COCCCN1C(=O)C(=Cc2ccc(O[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc2)SC1=S 2297498107 OFUMYCOWTTZZHM-INIZCTEOSA-N 497.853 4.136 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313565085 QVLUBUQWBQJJQL-UHFFFAOYSA-N 480.771 4.127 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S)c1ccccc1Cl 2314764859 OAZUXDJTFILOPF-UHFFFAOYSA-N 469.769 4.354 10 10 JICE O=C(O)COc1ccccc1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O 2314931805 QYBLTQHTIDGTQS-UHFFFAOYSA-N 450.335 4.318 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 2323812575 DQQRFJJLIIZHJG-QGZVFWFLSA-N 473.572 4.087 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C(=N)N12 20154852 HHGHHTNBXWPYNF-STFAQDPBSA-N 490.950 4.491 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 32961236 ZRLKXHIKYHNPAQ-MKBIQDCJSA-N 483.358 4.265 10 10 JICE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066703 KGQBBGMNQSIENI-ZHZULCJRSA-N 466.632 4.314 10 10 JICE CC(=O)Nc1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 103039566 KZOLEDPZTYBDOI-FOCLMDBBSA-N 474.361 4.136 10 10 JICE Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]23)c1 253574350 SMMJTBMRNQENQR-WFBMQCHUSA-N 465.505 4.247 10 10 JICE CSCC[C@@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746424251 HBSNKQSZYODWTD-VXNXHJTFSA-N 481.662 4.050 10 10 JICE Cc1cc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c(C)n1-c1ccccc1 746427560 YRZRHICJTZRHQX-UHFFFAOYSA-N 485.675 4.232 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(OC)cc4)sc3C)ccc21 1859571655 OAUUSAZSJYRZHY-UHFFFAOYSA-N 457.577 4.227 10 10 JICE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(I)cc2)cc1 1860709584 ZBIDLBBSEISWBF-UHFFFAOYSA-N 451.352 4.256 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C(=O)OC)sc(C)c1-c1ccccc1 1860747304 CVCLZWRRWLYSAC-UHFFFAOYSA-N 466.515 4.264 10 10 JICE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665865 PJDGDZDHRGLLMJ-PTGBLXJZSA-N 479.577 4.001 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4cc(Cl)ccc4C)ncc3[N+](=O)[O-])CC2)cc1 1871310829 GPYWBKQALYVIDQ-UHFFFAOYSA-N 454.918 4.425 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873168110 JIDYPAHGMHEAQI-OAQYLSRUSA-N 479.584 4.491 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079853768 CJNRLQFJNXLDRH-CQSZACIVSA-N 480.224 4.423 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O 2293034976 GXNSHKNNFOEPCC-UHFFFAOYSA-N 479.377 4.100 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 2296851850 OMARYOCHCGVSOQ-UHFFFAOYSA-N 458.474 4.286 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 2296885154 GFBPVOQQJFGWQG-UHFFFAOYSA-N 480.567 4.422 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=N)N12 2297345051 MBGYQXRYWTVMHE-UHFFFAOYSA-N 452.561 4.474 10 10 JICE COc1ccc(C(=O)Oc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 2297347707 VOPFXSYYTAIAAP-UHFFFAOYSA-N 497.891 4.035 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314831578 NTLTZQUUXGRHKR-UHFFFAOYSA-N 499.570 4.392 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314837774 WNYRUHJWRXWJED-CYBMUJFWSA-N 458.536 4.231 10 10 JICE COc1ccc(N2CCN(c3nnc(C(=O)Nc4cccc(OC)c4)c4ccccc34)CC2)cc1 34838551 OWURSXOYCIJQEH-UHFFFAOYSA-N 469.545 4.226 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 39835822 XLGOSUSLZQOKCI-XDJHFCHBSA-N 497.598 4.123 10 10 JICE CCSc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 209422118 ALWQJHYDMLGBBY-JLHYYAGUSA-N 450.636 4.189 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 210727453 DDYMSRQZQMZURG-MYVPOTEISA-N 460.621 4.376 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC2)cc1 743362456 CTGQPOALXXSACM-UHFFFAOYSA-N 476.543 4.210 10 10 JICE COc1ccc(Cc2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1 1861865794 SBHPSGDCXVSVKX-UHFFFAOYSA-N 456.546 4.133 10 10 JICE CCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202306 HWJZTICNOQVAJN-OAQYLSRUSA-N 494.419 4.015 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864010223 KMCDLYIEAVAKQS-HXUWFJFHSA-N 482.968 4.110 10 10 JICE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)sc(C)c1-c1ccccc1 1866268432 WCPLJQQTJTYTNE-UHFFFAOYSA-N 479.489 4.153 10 10 JICE Cc1cccc(-n2nc(C(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C)c1 1866839016 LTOIJPDPFHCGOH-GOSISDBHSA-N 492.535 4.022 10 10 JICE C[C@H]1CCCC[C@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873866149 BVBZQDBDFPNQCK-IFTMGIRTSA-N 456.590 4.483 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2[nH]cc(CN3CCOCC3)c2c1 1874179355 ZZJGARPMSBNPNJ-UHFFFAOYSA-N 465.509 4.028 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2297333571 VXNXOKJTMZRMQD-UHFFFAOYSA-N 452.422 4.464 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1F 2297341521 DCTIJHJFIGBAQT-UHFFFAOYSA-N 476.460 4.175 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 2297344592 SSWRVQAPEZVCPP-UHFFFAOYSA-N 460.461 4.470 10 10 JICE CCOC(=O)CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1ccc(N(C)C)cc1 2313512353 LQMPAOHBLYZBTI-UHFFFAOYSA-N 467.394 4.188 10 10 JICE Cc1ccc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)s2)c(O)c1Br 2381143218 PNAGPTZNHBNVFY-UHFFFAOYSA-N 455.374 4.479 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33780707 TWDCBDLAJFPNBK-XDJHFCHBSA-N 486.663 4.375 10 10 JICE O=C1OC(c2ccccc2Br)=N/C1=C/Nc1ccc(Br)cc1C(=O)O 36068793 MIKOVXIVHHSRFQ-RIYZIHGNSA-N 466.085 4.167 10 10 JICE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 205951398 YXNSYYNKPUHFRL-HKOYGPOVSA-N 456.502 4.461 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)[C@H](C)C1 1286870564 CJGNEGZAFINBHX-GOSISDBHSA-N 470.568 4.455 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)c(Br)c(Cl)c3)c2)CC1 1459049195 JJPJVGKUNLMMNA-UHFFFAOYSA-N 450.764 4.332 10 10 JICE CCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860768904 JOXPETBZUFGHJE-UHFFFAOYSA-N 453.520 4.189 10 10 JICE CCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867050123 JAPNWIHDCUWFTG-FIXSFTCYSA-N 466.537 4.489 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(C3CCCCCC3)C2=O)cc1 1873165898 VUVMMBRWOMPXFG-UHFFFAOYSA-N 462.638 4.438 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419432 FDRAOBFCBYXOKV-XMMPIXPASA-N 471.557 4.474 10 10 JICE COc1cc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc(O)c1O 1951857487 SSQATKWAMYXQSG-NHCUHLMSSA-N 475.497 4.156 10 10 JICE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2146729887 YCYFTEWCCKWPBV-HOTGVXAUSA-N 463.800 4.312 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 2296660075 CJANYKJQAFKYFC-UHFFFAOYSA-N 465.491 4.082 10 10 JICE CCN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC1=S 2297358831 ZSBRTQWTKXCTQW-UHFFFAOYSA-N 462.325 4.014 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650645 TVZDWQOKTPTPRS-OAHLLOKOSA-N 468.648 4.245 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)O)cc3)c3ccccc23)SC1=S 2326951845 QPIIIAKDQVBXDA-UHFFFAOYSA-N 480.567 4.454 10 10 JICE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14461264 MHIZRKNXZNZECY-DRSNIGMVSA-N 455.352 4.454 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc(C(F)(F)F)c4)c3[N+](=O)[O-])CC2)cc1 40611197 VHEATPSXBKIZHR-UHFFFAOYSA-N 474.443 4.482 10 10 JICE COC(=O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 40938541 UFQFKOMBUAEDEU-VXPUYCOJSA-N 487.002 4.411 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OC 40940452 QOMBMAVFHQWOOG-BOPFTXTBSA-N 493.404 4.403 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 526501949 NKHZEBYSZXVYPI-RUZDIDTESA-N 458.514 4.300 10 10 JICE CC(C)(C)OC(=O)NC[C@@H](NCc1c(O)cccc1Br)C(F)(F)C(F)(F)F 722725297 HHVADRKMOWTOGE-GFCCVEGCSA-N 463.241 4.335 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N3CC=C(c4c(C)[nH]c5ccccc45)CC3)CC2)cc1 743362531 FJQZGUDUXJKLNM-UHFFFAOYSA-N 473.621 4.106 10 10 JICE O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 750142040 CJAMVEBFLFODMO-DEOSSOPVSA-N 467.529 4.192 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)C1=O 1084124398 BDYUTERUJWKYPA-MFOYZWKCSA-N 470.298 4.073 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 1858591961 DQQRFJJLIIZHJG-NNIWKIFQSA-N 473.572 4.087 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)SC1=S 1860826730 KSVKXGYLFGWAFD-VCHYOVAHSA-N 470.528 4.047 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864009142 AJQROIMZUKSXSN-MBSDFSHPSA-N 491.592 4.157 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865033853 IXIPACAKMVXULY-SUMWQHHRSA-N 494.514 4.065 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865926949 NSEDHCBGOGUYIV-CQSZACIVSA-N 479.396 4.468 10 10 JICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC)C1=O 1873422612 GGEAENPXAMOEDT-UHFFFAOYSA-N 457.530 4.483 10 10 JICE CCCCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552491 ODCNDKFVYGFTJF-UHFFFAOYSA-N 490.652 4.439 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)c1C 2293261832 VFQQQKFKVWHFNC-UHFFFAOYSA-N 468.101 4.088 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 2294204958 YEZHNURGJKGJIB-UHFFFAOYSA-N 451.935 4.361 10 10 JICE COc1cccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1OC(C)C 2294229100 TZUOVWGHHMDDQR-UHFFFAOYSA-N 489.391 4.385 10 10 JICE CCCC[C@H](CC)COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819107 JKMCGPMYIWZPKS-BXKMTCNYSA-N 472.534 4.436 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2297334507 PLYKKHGPDFAEAP-UHFFFAOYSA-N 455.785 4.314 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C 2313683098 RQZOKUQVBIYUBO-UHFFFAOYSA-N 465.491 4.165 10 10 JICE CCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(Br)c1O 2380739369 JHIKSOYZVDXISR-AWEZNQCLSA-N 461.422 4.116 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2cccc(Br)c2)N1c1nccs1 2355057 FMEGEGTYMBLUOR-OVCLIPMQSA-N 454.305 4.469 10 10 JICE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OC(=O)c1cccs1 33447203 WBKAHUJAORHSMD-ATVHPVEESA-N 462.483 4.478 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33468506 ZYQOKLULUGOBSP-JXAWBTAJSA-N 456.637 4.385 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1nnc(-c2ccccc2)o1 40324088 RXCMWKJZUNTFRY-VKAVYKQESA-N 484.628 4.138 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3)O4)CC2)cc1 95550760 AYQKPHZZJKEGSJ-UQQQWYQISA-N 455.514 4.030 10 10 JICE O=C1N=C(O)/C(=C\Nc2ncc(Br)cc2Br)C(=O)N1c1ccccc1 100464191 GKTJXYVGWKJKHS-DHZHZOJOSA-N 466.089 4.026 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 102687992 UTZZSKZZKFGXBJ-CPNJWEJPSA-N 486.663 4.374 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 208742026 NWNOTLCYOWDDQN-RQZCQDPDSA-N 471.585 4.153 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865032138 WLANNNXBSUTLKB-NRFANRHFSA-N 474.561 4.078 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(Br)ccc2[nH]1 1866531330 XFWZLPUTVPGTDC-UHFFFAOYSA-N 473.282 4.318 10 10 JICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NC1CCCCC1 1870926127 MSFIFLUFOCYVFT-UHFFFAOYSA-N 490.604 4.024 10 10 JICE CCOC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871147217 XAQYGRZEQFOBCZ-UHFFFAOYSA-N 479.577 4.309 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871514721 RARSUWNAQUEYID-UHFFFAOYSA-N 496.059 4.214 10 10 JICE C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCc4ccc(N5C[C@H]6CC[C@H]5C6)cc4)cn1c23 1890949752 XRBJTWWQKSLSNC-ZVZYQTTQSA-N 465.500 4.152 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079958455 VHOFGTQRHOMOQR-MRXNPFEDSA-N 472.323 4.323 10 10 JICE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)OC(C)(C)C 2106881686 WCMJWDCUKIWLHX-JXFKEZNVSA-N 460.619 4.302 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 2294259067 GCGVQFFVKSWBAD-UHFFFAOYSA-N 492.528 4.253 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2296777204 ZUBLSBWGELJMRJ-UHFFFAOYSA-N 475.476 4.076 10 10 JICE CCCOc1ccccc1C=C1SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 2296944624 BAPFACDJZAIVOD-UHFFFAOYSA-N 452.536 4.176 10 10 JICE CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 2313559214 UIQPIYAEDGJVBN-UHFFFAOYSA-N 477.286 4.052 10 10 JICE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33445504 RIEUEWFIUVBSCJ-XLNRJJMWSA-N 465.579 4.234 10 10 JICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccs2)c(OS(=O)(=O)CC)c1 36009405 GRMWAMBBGTWKOY-HXUWFJFHSA-N 480.652 4.144 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1C 213166091 UUPUZMJEOQQNPA-VJOZSWGJSA-N 493.610 4.484 10 10 JICE CC[C@H](C)[C@H](NC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1)C(=O)O 1081156781 GIMAHZLTMPHYGX-WNZHHWCESA-N 454.573 4.322 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)c1 1860869255 CDCVAXILRDWBDD-UHFFFAOYSA-N 457.578 4.355 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862144766 LMSKXXOHXHZYBF-VZUCSPMQSA-N 476.404 4.259 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028441 UZPRDJBBCYRTKY-JLCFBVMHSA-N 494.979 4.198 10 10 JICE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685192 ZOPZPOXAHIAOAW-IZZNHLLZSA-N 463.622 4.213 10 10 JICE CCCC[C@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868976404 DGKXNHWOCVUIKQ-NRFANRHFSA-N 472.655 4.221 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1869130263 CRNOIRLCVBBUCU-UHFFFAOYSA-N 498.631 4.427 10 10 JICE Cn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1NC(=O)CCc1ccccc1 1871333084 DSHXXAOTKCZYDQ-UHFFFAOYSA-N 478.508 4.019 10 10 JICE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1906085734 MXJZLKLNWYIYDR-MQSCRBSSSA-N 459.498 4.268 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080003492 NMYRSTCUTQQJMC-GFCCVEGCSA-N 454.308 4.258 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080036579 WPKPSHNDKUXIQN-VIFPVBQESA-N 468.213 4.225 10 10 JICE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296727124 UQHDRDNIBDZZFL-UHFFFAOYSA-N 488.594 4.344 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 2313630082 GRQHINITKZRCGC-MRXNPFEDSA-N 478.401 4.422 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c1)C(=O)O 2314926864 UNYNBARYOIYMLG-QGZVFWFLSA-N 457.529 4.341 10 10 JICE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2318660914 XCTDPUKWNWUDDX-UHFFFAOYSA-N 472.541 4.300 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641941 VBZMUSLGHQWUMJ-GBWYYYKWSA-N 464.562 4.448 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 33517584 RDTYPFLESUSFEN-LUJRCDHRSA-N 450.589 4.397 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812145 OSQGJEXOHGLVHZ-SYZMQFJCSA-N 496.633 4.342 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066563 IASPKYQOYKCMTD-HYTQYMIGSA-N 466.632 4.220 10 10 JICE Cc1c(Br)c2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 108046979 SMTAJUZAJRVOKL-UHFFFAOYSA-N 456.384 4.207 10 10 JICE COc1ccc(N2CCCN(C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)CC2)cc1 109885007 CHVHDDWCKJFSEZ-UHFFFAOYSA-N 459.575 4.357 10 10 JICE COc1ccc2cc(CCNC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)[nH]c2c1 1081155515 PCJYSQJPWVHJIY-CPNJWEJPSA-N 471.629 4.188 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864014541 XTOQUNMMRIZVJZ-OAQYLSRUSA-N 496.633 4.018 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016394 NXFDSZDDMYNFLV-HSZRJFAPSA-N 496.567 4.230 10 10 JICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864020236 WZYUNIPKWSDWBQ-QHCPKHFHSA-N 490.604 4.070 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)N2CCCCC2)cc1 1866037325 SBTQXSODSFPAIX-OAQYLSRUSA-N 462.516 4.210 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)CC2)cc1 1866306016 LZPJFQCVRQMCKS-UHFFFAOYSA-N 469.541 4.075 10 10 JICE CCOc1cccc2c(O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866507064 YMXCXCUBCGRUJQ-QHCPKHFHSA-N 462.594 4.362 10 10 JICE CCC[C@H](NC(=O)/C=C(\C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868662336 HOVIKFDMORKLAQ-RJOAZTIESA-N 463.622 4.295 10 10 JICE CCN(CC)CCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871267169 XJGKHVVRBZHJKV-UHFFFAOYSA-N 464.610 4.307 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(Cl)cc5)ncnc4n3C)CC2)cc1 1875198946 QLDRYEGKPHXILT-UHFFFAOYSA-N 490.995 4.205 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(C)cc3)ncnc21 1875201896 APVZUFUIKWQVIJ-UHFFFAOYSA-N 484.604 4.343 10 10 JICE CN(C)c1ccc([C@](C)(O)[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2058200434 WDDBXMPLWVFSTR-NSOVKSMOSA-N 474.557 4.342 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296604164 AOIWBSXIBDXSNW-UHFFFAOYSA-N 487.585 4.287 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc([N+](=O)[O-])c1O 2321698131 LBTBKEHSVRHLJV-UHFFFAOYSA-N 457.533 4.315 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)cc1 8808430 UKGSGPNZBIETLW-UHFFFAOYSA-N 456.955 4.020 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(NC(C)=O)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1 13914054 AHSZSALZYNMFJT-IWIPYMOSSA-N 498.539 4.477 10 10 JICE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)c1 14472814 RFJHWUUUBYSOLP-JKSBSHDWSA-N 475.954 4.096 10 10 JICE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15048718 CFDSSAQFKPUBJM-XFOCEJHJSA-N 464.568 4.172 10 10 JICE COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 32964486 IKPGWSWMGQOFCP-AKDZLLARSA-N 453.833 4.321 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 213163629 XUKHLUWYMRKVQM-AQTBWJFISA-N 495.582 4.170 10 10 JICE O=C(c1ccc(F)cc1)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 913102529 GBKJGSPHGUPJEN-XMMPIXPASA-N 485.519 4.331 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864022134 UKAIKRHMZLGZQO-AOMKIAJQSA-N 476.577 4.085 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033362 YASIHYMQQUNSRL-HSZRJFAPSA-N 488.588 4.002 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cn(C3CC3)c3cc(F)ccc3c2=O)N2CCCCC2)cc1 1866266718 KFDLTSRQZVKIKN-SANMLTNESA-N 476.596 4.499 10 10 JICE C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867749421 HAHYASKCBSKDJH-CUNXSJBXSA-N 487.648 4.005 10 10 JICE O=C(C[C@H](c1ccccc1)C1CC1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868140000 GLCHPIDGSZKGEN-JOCHJYFZSA-N 452.510 4.101 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711615 QFZYGOIFPWXVRU-HYBUGGRVSA-N 469.601 4.126 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C(C)=C/c3ccccc3)c3ccccc3)CC2)cc1 1868748008 FGQPXVCZJTVTII-MTEPZQBTSA-N 469.585 4.305 10 10 JICE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873168140 KFUNYSXHOYUSDZ-QGZVFWFLSA-N 471.557 4.491 10 10 JICE CCCCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581718 YLOMVCIQVLJEFM-UHFFFAOYSA-N 488.592 4.090 10 10 JICE O=C1C(=O)[C@H](N[C@@H]2CCCC[C@H]2N2CCCC2)[C@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395933 YPXGJWCPLUUHRX-BRSBDYLESA-N 477.449 4.022 10 10 JICE CN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106853505 RQXAEKHVDZUFOU-IGKIAQTJSA-N 450.627 4.109 10 10 JICE COc1ccc([C@@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(O)c1 2140603780 SCYOMHFTNQAYAV-CTNGQTDRSA-N 455.599 4.173 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 2297358215 QRLPTODCBPZLIY-UHFFFAOYSA-N 480.480 4.260 10 10 JICE O=C1/C(=C/c2cccc(Br)c2)NC(=S)N1CNc1ccc(Br)cc1 104035649 RDTZZNZBVGUXLD-DHDCSXOGSA-N 467.186 4.339 10 10 JICE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCCc4cc(S(C)(=O)=O)ccc43)c2C)cc1 106176647 ZPCQERKNEUJRSQ-WYMLVPIESA-N 463.603 4.253 10 10 JICE C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 110585767 QMVVZORBGKWGLW-FUTPGTCUSA-N 461.606 4.174 10 10 JICE COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 731038039 CGUYMEXBVCKQOX-UHFFFAOYSA-N 453.402 4.173 10 10 JICE C/C(=C\c1cccc(Cl)c1)C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868145391 RHQQZLMIYXMLQY-NTCAYCPXSA-N 458.901 4.274 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(N5CCCC5)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871308890 LMBPTTXJPIRPSB-UHFFFAOYSA-N 475.553 4.064 10 10 JICE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136252307 BLIPEWRRCCCLSZ-UTKZUKDTSA-N 454.567 4.361 10 10 JICE COc1ccc(Br)c(CNCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1O 2236052081 BHGFEPGMZPGCOU-CYBMUJFWSA-N 457.287 4.099 10 10 JICE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1 2296557133 KACPTEVDOLDBCA-UHFFFAOYSA-N 480.860 4.363 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC)C(=O)O 2314933077 SHPFFRICLWONAJ-OAHLLOKOSA-N 489.531 4.074 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCc4sc(NC(=O)c5ccc(C)cc5)nc43)CC2)cc1 8979504 HQYNLBDZUZJRAF-QFIPXVFZSA-N 490.629 4.481 10 10 JICE CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccc(C)cc2)cc1 13838985 LENIYGXSMPHNPH-UHFFFAOYSA-N 476.606 4.344 10 10 JICE CCOCCCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586691180 DHCGECYZKCBCSK-UHFFFAOYSA-N 471.513 4.262 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1cccc(C(=O)O)c1 1084028655 YERKKLCYLPWKMY-KRWDZBQOSA-N 450.436 4.292 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2c(C)nn(Cc3ccccc3)c2C)C1=O 1084528775 JPTOBAKXKYCHRR-UDWIEESQSA-N 493.361 4.286 10 10 JICE CC[C@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861966073 ZJWBDEHHWWAJHC-DEOSSOPVSA-N 494.419 4.258 10 10 JICE CCc1ccc(OCCCC(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862229866 HUGKKHQHGFHSBN-MUUNZHRXSA-N 481.637 4.050 10 10 JICE COc1cc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1OC(C)=O 1865912968 BPWPUSKEWPEVLP-RGCCYVKUSA-N 465.594 4.043 10 10 JICE O=C(CCc1ccco1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866580130 SGCODCVRFIOQPW-VWLOTQADSA-N 492.531 4.354 10 10 JICE CCCc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867973709 GVNMIVHZLVSYJD-UHFFFAOYSA-N 490.627 4.230 10 10 JICE CCCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868585334 NQWARLNYZYDJCE-AREMUKBSSA-N 476.621 4.133 10 10 JICE CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870488867 WOEBEGSWULDLRS-UHFFFAOYSA-N 461.606 4.395 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(CO)c2I)c(O)c1 2079875803 ZOVISYNLXUILIW-OAHLLOKOSA-N 464.250 4.021 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079876465 JXJIQEHFJRMCEN-ZDUSSCGKSA-N 480.249 4.473 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079877127 SZFGZHXEOXQZBU-ZDUSSCGKSA-N 478.233 4.227 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080036574 WPKPSHNDKUXIQN-SECBINFHSA-N 468.213 4.225 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2080037315 ZBVLLNIPQFEQEC-CQSZACIVSA-N 484.334 4.430 10 10 JICE CC[C@H](N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 2092393247 ODZLIBQNUDNFAA-ZCNNSNEGSA-N 463.372 4.279 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541968 YWOSSKMTUSOWCT-IAGOWNOFSA-N 470.664 4.487 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2296660289 UFBIMAGERBJZGI-UHFFFAOYSA-N 498.586 4.191 10 10 JICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836652 HZOPCEQTHHQTLH-LBPRGKRZSA-N 452.517 4.305 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314837466 SNSWUNICIJHMRB-LBPRGKRZSA-N 477.405 4.061 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)SC1=S 2326954634 KSVKXGYLFGWAFD-UHFFFAOYSA-N 470.528 4.047 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15047269 CMWGQMWNWAAIAQ-OKHBPPCESA-N 491.388 4.376 10 10 JICE COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 20288551 XSXGKVNDNFJXIH-JJIBRWJFSA-N 472.501 4.427 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCC(C)C)CC1 1596091046 BWSOJZXVHDCQGM-UHFFFAOYSA-N 492.668 4.474 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1860749189 XCZPKYFYXSWVJU-UHFFFAOYSA-N 453.476 4.304 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008474 KYBNEQWPVLGZOG-NRFANRHFSA-N 482.968 4.246 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033098 ROGXPAGEQOCSJG-JOCHJYFZSA-N 476.577 4.189 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)N2CCCCC2)cc1 1865917641 XJNCHMOXFASSJZ-AREMUKBSSA-N 489.616 4.070 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868842412 MPJDKCRPJBXCJD-IZZNHLLZSA-N 497.705 4.330 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873164794 RYIDBPZDKNVHEQ-UHFFFAOYSA-N 488.607 4.445 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOCC)C1=O 1873170408 YJWYXNMWAFUDTD-UHFFFAOYSA-N 481.637 4.397 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Cl)cc3C)CC2)cc1 1873536171 IWFMGOZLUNUOHT-UHFFFAOYSA-N 461.953 4.078 10 10 JICE COc1cccc(C=C2SC(=S)N(c3ccc4c(c3)OCCO4)C2=O)c1OC(F)F 2042449598 NVDYDBNZCQCJTB-UHFFFAOYSA-N 451.472 4.474 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079006910 KBXOWUODRMPOIW-SFHVURJKSA-N 465.335 4.258 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(F)F 2163121177 QGUNHLYZPQYYPX-FUHWJXTLSA-N 482.572 4.157 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O 2296879830 FHKYJLKQZPKZEQ-UHFFFAOYSA-N 479.377 4.100 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(F)cc1 2297303335 OTFRQSQQMOVVTL-UHFFFAOYSA-N 474.444 4.028 10 10 JICE CCOc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 2297498988 BHHSUHREGHITLM-UHFFFAOYSA-N 493.404 4.403 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314755196 XVSDFXUFVKBDDR-UHFFFAOYSA-N 458.399 4.479 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 2854770 SJUSNSIEIKNHNB-GZTJUZNOSA-N 450.834 4.273 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641922 RNPAWDXGROARIG-JXQFQVJHSA-N 452.551 4.305 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CC=C[C@H]32)CC1 14471000 UFMFRVOEBNSNNA-GSHUGGBRSA-N 452.942 4.462 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)C(C)(C)C)ccc4n3)CC2)cc1 33260759 RYLVRWQSKQSVKV-UHFFFAOYSA-N 462.550 4.253 10 10 JICE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33525507 OCUYLTTZJIJELY-QGOAFFKASA-N 466.588 4.434 10 10 JICE O=C1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)SC(=S)N1CCc1ccccc1 35655897 BWJFSFWZCLQQDB-ZCXUNETKSA-N 470.666 4.404 10 10 JICE CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)cc1 59679457 NBEUAIJWDGVBQN-ZHZULCJRSA-N 464.319 4.469 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCc4cccnc4)[C@@H]3C2)cc1 96457013 LCQQBSDQSFFKDT-ZCYQVOJMSA-N 496.533 4.293 10 10 JICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O 102455033 NLKLMKNSNRHULV-VIZOYTHASA-N 455.344 4.254 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCC(=O)O 210465711 VKOJVDLXZGHLKY-PDGQHHTCSA-N 489.531 4.075 10 10 JICE COc1ccc(C)cc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526452010 WNEKWKIMNMILSD-HSZRJFAPSA-N 463.486 4.489 10 10 JICE CCC(=C/c1sc2cc(OC)ccc2[n+]1CCO)/C=C1/Sc2cc(OC)ccc2N1CCO 581722309 QZTFAUYPDZBYBU-UHFFFAOYSA-N 485.651 4.438 10 10 JICE CC(=O)CCc1ccc(OCCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1137437766 CCMWOFUGBCHAEB-QFIPXVFZSA-N 458.986 4.117 10 10 JICE CCOC(=O)N1CCN(c2nc3ccccc3[nH]c2=Nc2cc(Cl)cc(Cl)c2O)CC1 1859509833 IMQLHWIBUVJGLX-UHFFFAOYSA-N 462.337 4.086 10 10 JICE CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217609 ILTCKKUPVJRARZ-YADARESESA-N 488.028 4.140 10 10 JICE COc1ccc(Br)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865981318 PAFQLDHQOFNPIC-OAQYLSRUSA-N 460.416 4.481 10 10 JICE COc1ccc(Br)c(CN[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1O 2236055909 SKTLNVONLXIUOI-FQEVSTJZSA-N 475.383 4.444 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCOc2ccccc2)cc1 2293311838 NGIKNNJVCSRTGD-UHFFFAOYSA-N 462.889 4.464 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1 2294093803 QYZPCBLVJLOODE-UHFFFAOYSA-N 478.508 4.255 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(OC)cc1 2297347522 DKBCFUIWZAECCL-UHFFFAOYSA-N 477.517 4.392 10 10 JICE CC[C@H](C)[C@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580225 GIMAHZLTMPHYGX-LIRRHRJNSA-N 454.573 4.322 10 10 JICE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2313558375 ZHWIKOQNZXXSDX-UHFFFAOYSA-N 495.894 4.340 10 10 JICE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560360 QUGQWRRIECBYFF-UHFFFAOYSA-N 457.486 4.109 10 10 JICE C[C@H](NC(=O)CCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314827643 JLHKWQYPYBKZGR-AWEZNQCLSA-N 464.568 4.174 10 10 JICE CCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106721 YTQNBWPMBUUPDN-UHFFFAOYSA-N 469.969 4.256 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 9259597 KMKWZEPDDHUNQT-MOSHPQCFSA-N 452.482 4.208 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(C)c1 47133174 MTAGBSOVTKYUBK-PDGQHHTCSA-N 498.561 4.423 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CCCC2 170578890 FDLXLTPYQPBJTE-KRWDZBQOSA-N 481.618 4.395 10 10 JICE CCOc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 210902451 NONXWBMBJZETGX-LICLKQGHSA-N 465.453 4.051 10 10 JICE CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 726239277 YROJGWXCEYRDKT-UHFFFAOYSA-N 462.573 4.063 10 10 JICE COCCN(Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614472151 LGXMUJAIHACVDI-OXQOHEQNSA-N 468.516 4.230 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1862301950 OSFQGLOSGIBWHL-XMMPIXPASA-N 495.982 4.178 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018065 BSWFVVGQUBDPAS-SZNDQCEHSA-N 496.995 4.168 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030848 SPNVKNILNYEDBG-NRFANRHFSA-N 468.598 4.000 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873167833 ZRHWVCSFRCYKNB-UHFFFAOYSA-N 450.627 4.294 10 10 JICE COC(=O)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873921777 RYZCOTWHKDMGQR-UHFFFAOYSA-N 492.535 4.390 10 10 JICE Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874017577 RYNJOMSOYWUEHM-UHFFFAOYSA-N 490.581 4.248 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(F)cc4)cc3)CC2)cc1 1874739275 ZAXMQDOOSFFQGI-UHFFFAOYSA-N 476.548 4.377 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC(C)C)ncnc21 1875204371 LAUYRWPSGKFWRM-UHFFFAOYSA-N 464.614 4.270 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 2293188294 BBRMDEBOIPCGSA-UHFFFAOYSA-N 492.915 4.473 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2293618969 JVXSSFXDYHUNHZ-UHFFFAOYSA-N 482.246 4.284 10 10 JICE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2297468068 HVRQSOORTKEHJW-UHFFFAOYSA-N 491.550 4.490 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 2313558090 SLPNGZBWFMAXRV-UHFFFAOYSA-N 482.855 4.461 10 10 JICE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313681310 BEDHADHTPABTRI-UHFFFAOYSA-N 465.506 4.157 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314831872 UPTFZBAAOVBHCV-UHFFFAOYSA-N 484.599 4.441 10 10 JICE C[C@@H](C[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335652645 HBJVPNUXZPBYEI-FXAWDEMLSA-N 462.635 4.095 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2533299 KQCTZVXJSYNMET-QZQOTICOSA-N 465.600 4.352 10 10 JICE CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOCCOc3ccc(C)cc3)C(=O)N=C2S1 27531197 CZSRKQXWILUHQI-TUZMOLJKSA-N 478.574 4.499 10 10 JICE Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)n2)cc1 33273553 UIGCBFBJPITQEE-UHFFFAOYSA-N 497.599 4.356 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33574284 PEAXRAADWHSNCY-CPNJWEJPSA-N 499.454 4.137 10 10 JICE O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccnn1C1CCCC1 789316839 FNUVOBLQPOVQBF-UHFFFAOYSA-N 477.904 4.223 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(I)cc1 1083910942 CYIFAYJZSYJSSE-LZYBPNLTSA-N 496.351 4.291 10 10 JICE COc1ccc(Cl)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866535320 HERQCNBYMMASDY-NRFANRHFSA-N 483.012 4.213 10 10 JICE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cc(O)c(O)c(O)c1 1951969419 QSKBSHRFKBEEJU-OAQYLSRUSA-N 477.513 4.463 10 10 JICE O=C(N[C@]1(c2cc([N+](=O)[O-])ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952777185 YKYVAYYNDMFMDX-OFVILXPXSA-N 460.442 4.139 10 10 JICE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(N)=O 2079938654 ZQGDYLXQFXSXBF-INIZCTEOSA-N 455.340 4.107 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296065485 KKTKAYGZOKQUGD-UHFFFAOYSA-N 491.548 4.036 10 10 JICE N=C1C(=Cc2cccn2-c2nnc(-c3ccccc3)s2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297346519 URWNGLXTQKZNBZ-UHFFFAOYSA-N 473.465 4.177 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314831274 HICNQAZUQUTBLP-UHFFFAOYSA-N 484.599 4.441 10 10 JICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc2NC1=O 11857491 CSXCMQDNZKESPO-JTQLQIEISA-N 480.365 4.093 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(C)c(Cl)c4)c3[N+](=O)[O-])CC2)cc1 40590832 PIIZMJKBXIWTHB-UHFFFAOYSA-N 454.918 4.425 10 10 JICE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 102994382 KCJANJYNEUPMRD-RFMKRLFESA-N 461.027 4.415 10 10 JICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(C2CC2)[nH]n1 1867148873 VCQWYDZXGKVLGI-RUZDIDTESA-N 490.519 4.172 10 10 JICE CC(C)COC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870849032 SJTNEIIWJPXVLM-UHFFFAOYSA-N 479.577 4.164 10 10 JICE CC(=O)N(c1nc(C=C2SC(=S)N(CCN(C)C)C2=O)cs1)c1cccc(C)c1C 2040496618 SBYXQJILENTESD-UHFFFAOYSA-N 460.650 4.207 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1 2294216954 TUSDUPSDUZRTMZ-UHFFFAOYSA-N 476.533 4.023 10 10 JICE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC 2294400583 HEIRDDMAIHVMIC-UHFFFAOYSA-N 452.507 4.329 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468655 LMEJHPKFNULDGR-UHFFFAOYSA-N 471.473 4.107 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 2314759326 BJMRSPIPARUPPU-UHFFFAOYSA-N 488.425 4.399 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314769962 XIWUIDSBDMGUMP-QFIPXVFZSA-N 498.626 4.049 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2314831843 TVOHJQOKLUDKED-UHFFFAOYSA-N 484.599 4.492 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1)C(=O)O 2314930518 FJNBRJAQEGWJNU-IBGZPJMESA-N 457.573 4.381 10 10 JICE CN(C)c1ccc(C=c2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1 2326149229 ROTSVNSUIUDBFX-UHFFFAOYSA-N 452.583 4.139 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15037999 GDSYCIRJVQCIBE-RGEXLXHISA-N 454.573 4.402 10 10 JICE CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 102425600 ITCFVNUMLWOXHZ-PGMHBOJBSA-N 452.536 4.176 10 10 JICE COCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 213199716 KLZPGZCKRJXYMR-UYRXBGFRSA-N 481.599 4.260 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C(=O)OC)c2)[C@H]1c1ccc(O)c(O)c1 526471436 ZEKFBEUMEDFARS-QHCPKHFHSA-N 491.496 4.349 10 10 JICE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1Cl 1084025825 SFQKRLBAQKTHGT-AQTBWJFISA-N 464.861 4.395 10 10 JICE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084309881 YGXRIFDBVBTHFA-UNOMPAQXSA-N 477.904 4.454 10 10 JICE BrC1=CCCN(c2nnc([C@@H]3CCCOC3)n2CCCSc2nccs2)C1 1705473861 SUHKWVCDQUIBIH-CQSZACIVSA-N 470.462 4.300 10 10 JICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013193 RXUAPRINJPRVOT-QRQCRPRQSA-N 494.567 4.044 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016001 YFGWFQZMAOCRRJ-XJKSGUPXSA-N 482.503 4.020 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873164578 IDWIEKHOXNRERE-DEOSSOPVSA-N 473.548 4.282 10 10 JICE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873168239 NQSXAZURENMLNV-UHFFFAOYSA-N 450.627 4.296 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCOc4ccccc4)c3)CC2)cc1 1874735594 OSHVHIFPHFWXMF-UHFFFAOYSA-N 488.584 4.465 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 1891862412 QYMXTDXGDLDYDM-REWPJTCUSA-N 450.542 4.304 10 10 JICE COc1cc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952081870 UPMARPRJMLPHGN-SANMLTNESA-N 463.486 4.031 10 10 JICE O=C(NOCCCNCc1ccc(N2CCOCC2)cc1)OCC1c2ccccc2-c2ccccc21 2090342274 JEHUXWDXZRXFMU-UHFFFAOYSA-N 487.600 4.473 10 10 JICE CN(CC[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)C(=O)OC(C)(C)C 2271984752 WKUFDKJVQLXTPJ-FQEVSTJZSA-N 462.635 4.048 10 10 JICE CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)o2)c1 2297353188 PSVVBGHKACATLT-UHFFFAOYSA-N 491.573 4.432 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 2297533651 BSRTYQXOHMXTGL-UHFFFAOYSA-N 479.330 4.498 10 10 JICE CCc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)cc1 2313656715 BZKFUSGSFTVUKC-UHFFFAOYSA-N 481.302 4.431 10 10 JICE O=C1C[C@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314832628 KMHUCBFWVRYDJC-HNNXBMFYSA-N 480.464 4.378 10 10 JICE O=C(O)COc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1 2314930153 YGVPPNSSFPMEPS-UHFFFAOYSA-N 450.335 4.318 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1826359 RIMMVJMQXIEUMH-FMQUCBEESA-N 469.563 4.183 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NCCN/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C 8659781 FBEGYYAFSDCXLT-VOKWCDJLSA-N 497.386 4.086 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1nccs1 15040932 ZUXJHCBNWUHHFA-LCYFTJDESA-N 484.422 4.231 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OC(=O)c1ccco1 33308999 ZERGAVAFPAUQNH-JPXJQDSKSA-N 486.509 4.483 10 10 JICE Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 33420136 JQIGYUULGQKILM-NDENLUEZSA-N 489.509 4.162 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccccc3-c3nc(-c4ccccc4C)no3)CC2)cc1 35528335 HEXJOVKDEGGCSW-UHFFFAOYSA-N 484.556 4.448 10 10 JICE C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 248260979 QMVVZORBGKWGLW-JWWGNVLFSA-N 461.606 4.174 10 10 JICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864014090 NFYXLVCOQWKBCI-HSZRJFAPSA-N 484.556 4.220 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603380 FNLHEWTVRLEVAZ-UHFFFAOYSA-N 495.631 4.023 10 10 JICE COc1ccc(C(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874749281 MBQJSLMBLWCFDY-UHFFFAOYSA-N 473.573 4.351 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2079881166 SLUMIRDGTTXTIA-LLVKDONJSA-N 480.249 4.316 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(Br)c1 2294094862 AUKUKZUXYJIACZ-UHFFFAOYSA-N 456.079 4.128 10 10 JICE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1 2296765287 MTKPGAIYKPHNNO-UHFFFAOYSA-N 450.347 4.388 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(=N)N21 2297345488 BKHBYOGVFPSSMJ-UHFFFAOYSA-N 476.967 4.247 10 10 JICE CCOC(=O)COc1ccc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 2297350166 LFNVKVMSVLARIK-UHFFFAOYSA-N 457.573 4.429 10 10 JICE Cc1ccc(N2C(=O)C(=C3C(=O)N([C@@H](C)C(=O)O)c4ccccc43)SC2=S)cc1Cl 2313617643 WAKTUHGEJWAWOI-NSHDSACASA-N 458.948 4.244 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1cccc(Br)c1 16401624 DPRDVKLYIYJISY-QFIPXVFZSA-N 470.323 4.100 10 10 JICE CCOc1ccc(CC2=NN3C(=N)/C(=C/c4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OCC 33559767 WZPYANCXCXHECH-PDBBVDDMSA-N 478.530 4.075 10 10 JICE COCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 39836070 KLZPGZCKRJXYMR-CPNJWEJPSA-N 481.599 4.260 10 10 JICE COc1ccc(N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39845358 JHRYMJUCZGAWSM-UHFFFAOYSA-N 465.531 4.103 10 10 JICE Cc1nn(C)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 59858296 WDUYYPKIXHGVCH-HMAPJEAMSA-N 473.577 4.084 10 10 JICE COc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3I)CC2)cc1 110477319 JRYLTMVIMSRHST-UHFFFAOYSA-N 470.738 4.352 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1722751559 XKWDWQYJFYSFRN-UHFFFAOYSA-N 488.658 4.094 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCSc2nccs2)CC1 1760609317 RHTMRTSLOWOPFL-UHFFFAOYSA-N 481.022 4.045 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)oc(=O)c3ccccc34)CC2)cc1 1860363056 IBXLDAYKJROJHR-SFHVURJKSA-N 458.514 4.071 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864022760 QNHKTIWIQWPWDZ-INIZCTEOSA-N 482.503 4.114 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032799 KUMPPQLNYAICSJ-SAHWJRBASA-N 488.588 4.045 10 10 JICE CCCCOc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660924 LSHBBAXIMWQUGM-UHFFFAOYSA-N 461.606 4.406 10 10 JICE CN1CCCc2cc([C@H](CN)N(CCCNC(=O)OC(C)(C)C)Cc3ccccc3)ccc21 1881188195 RQUSRJOJHHRPOF-VWLOTQADSA-N 452.643 4.486 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079856431 RYJVXITZPIYMPN-ZDUSSCGKSA-N 467.229 4.192 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 2293579797 OCGGWORBVHTKPW-UHFFFAOYSA-N 488.540 4.021 10 10 JICE Cc1ccc(-n2nc(C)c(NC=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1C 2313548377 URNSNWKSTVFYEU-UHFFFAOYSA-N 457.534 4.302 10 10 JICE CC(NCc1ccc2c(c1)OCO2)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313683247 VNQKYKQXJRIPCN-UHFFFAOYSA-N 456.458 4.138 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCCc1nc2ccccc2s1 2314913679 SSMHCVOYKJSAKI-UHFFFAOYSA-N 471.604 4.386 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C(C)=Cc3cccc(Cl)c3)C(C)C)CC2)cc1 2330119183 WNYJGSDCWBWZSR-XMMPIXPASA-N 470.013 4.242 10 10 JICE CC[C@@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330473456 AYJWOXWFRXDEFE-RUZDIDTESA-N 463.622 4.250 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15035395 CZKRILTWBUSBKY-SXGWCWSVSA-N 463.378 4.303 10 10 JICE O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl 33321749 QZCYEPSXFMAEHS-XGICHPGQSA-N 453.209 4.103 10 10 JICE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 33417745 AZUCUPGXGUBONN-HEHNFIMWSA-N 454.617 4.256 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33470601 MFLOREUEUNFIRV-JXAWBTAJSA-N 474.652 4.233 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 39835881 OBJAVNPVIWGCOZ-XDJHFCHBSA-N 481.599 4.423 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 39919435 ILEFQXQFIYWGOW-NRFANRHFSA-N 465.897 4.226 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S 40888827 HIAZUQPOCVNRSH-PTNGSMBKSA-N 458.399 4.392 10 10 JICE O=C1/C(=C/c2ccccc2)SC(=S)N1C(=O)c1ccc(I)cc1 97578184 GBOCPYUIFSGHFO-UVTDQMKNSA-N 451.310 4.333 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526279663 SBYQDZGXJVXGPU-QHCPKHFHSA-N 491.496 4.349 10 10 JICE CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314225 WOKNPEBPPYAKQW-QFIPXVFZSA-N 483.977 4.111 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)cc1C 1084050460 GMMGMCONAGRBRD-MHWRWJLKSA-N 452.308 4.224 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCCC2 1859478994 UCASKYONNMOASA-CYBMUJFWSA-N 476.982 4.457 10 10 JICE CCCC[C@H](NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862200086 YUGCTLUATWFLLS-VWLOTQADSA-N 481.637 4.023 10 10 JICE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccc(F)cc1 1862313062 FCDGVAGHHAXSPS-UHFFFAOYSA-N 450.558 4.384 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017037 CXDSVKGWAYLAOX-RNODOKPDSA-N 482.968 4.109 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679861 KBVYKWNIHXMNSU-UDWIEESQSA-N 462.477 4.387 10 10 JICE CN(C)c1ccc([C@H](NC(=O)C(C)(C)c2cccc(Br)c2)c2nccn2C)cc1 1866062065 ZWRKVOCZVNTULS-FQEVSTJZSA-N 455.400 4.432 10 10 JICE COc1ccc2c(C)c(CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1 1874179541 JAXKBOSFWZBXOW-UHFFFAOYSA-N 467.477 4.457 10 10 JICE COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C(C)C)cc1 1891477470 YZMQUISIIXPGIW-KQCYOHNVSA-N 493.673 4.394 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)N=C2SCC(=O)c2ccc(O)c(O)c2)cc1 2040420153 UFXYLYZZVXCHIO-UHFFFAOYSA-N 488.521 4.495 10 10 JICE CN(C(=O)OC(C)(C)C)C1([C@@H](CN)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CC1 2194850381 XEHBXOZCLDTJSX-OAQYLSRUSA-N 474.646 4.191 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296540755 NQMYOHCHWKMSMT-HZPDHXFCSA-N 470.664 4.342 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2296846591 ACRYGLLYCIBPJZ-UHFFFAOYSA-N 458.653 4.487 10 10 JICE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1C 2297353191 SAMGONACIUMBPO-UHFFFAOYSA-N 476.606 4.411 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1C 2313548003 IQTPOLSWCWIRIF-UHFFFAOYSA-N 478.140 4.495 10 10 JICE COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40928143 XFHXCHIZTYXDOZ-CAPFRKAQSA-N 490.647 4.013 10 10 JICE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 205962149 UGPKNRLPZHRAKT-XIEYBQDHSA-N 486.528 4.469 10 10 JICE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 728745377 VKQONENTCFWHGU-FQEVSTJZSA-N 450.652 4.365 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)C1 1540938685 YZDWSLPFNFOHQL-HSZRJFAPSA-N 478.641 4.082 10 10 JICE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC12CCCCC2 1722778568 XSFZRBXDSQMVHZ-UHFFFAOYSA-N 470.637 4.200 10 10 JICE COc1ccc(OC)c(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347241 DRVJCEPEUQFNGD-NDEPHWFRSA-N 496.567 4.444 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871480065 NBUNMLWYVBGHSX-UHFFFAOYSA-N 495.631 4.023 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccccc4F)cc3)CC2)cc1 1874750550 PQYRXAXFZRYZRE-UHFFFAOYSA-N 475.564 4.411 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1891711501 ZXIJGKXGAOBFSA-PXNSSMCTSA-N 494.082 4.107 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1 2060619965 TZCBZMFBYSSVFH-GFCCVEGCSA-N 457.272 4.163 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)NC2=S)c1C 2293783169 ICZBKZZEJDYIEH-UHFFFAOYSA-N 460.511 4.401 10 10 JICE COCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2296703980 FEXVZAQTCKSFSD-UHFFFAOYSA-N 469.613 4.002 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4OC)cc3)C(=N)N12 2297341092 UDGSBROQZDPONF-UHFFFAOYSA-N 482.587 4.483 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297356860 ZCIPVYQVXFNFCQ-UHFFFAOYSA-N 469.993 4.483 10 10 JICE CCN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 2313547761 BHSZACJKXNOVPJ-UHFFFAOYSA-N 456.340 4.188 10 10 JICE CCCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650675 VUDMNEKTIVDTHL-UHFFFAOYSA-N 468.648 4.328 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC 2314761695 XEAFVONFKSQZNF-UHFFFAOYSA-N 474.398 4.313 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)cc1 2314932388 VKRLAJSFYJFSAH-UHFFFAOYSA-N 484.599 4.384 10 10 JICE O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 16344640 GYBLUDAPJONEJL-UHFFFAOYSA-N 450.482 4.071 10 10 JICE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1ccccc1O 21659063 DEACEGZIJJWMJV-HSZRJFAPSA-N 464.525 4.224 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33709727 QVXOFOANBNCOPE-RQZCQDPDSA-N 454.577 4.065 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 33780705 VCCGVLUXEKGODZ-OBGWFSINSA-N 472.636 4.067 10 10 JICE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)Nc2ccc(C)cc2)c(OS(=O)(=O)CC)c1 34921764 YDHWVLJLATUANL-UHFFFAOYSA-N 490.670 4.165 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccc(Cl)c3C)c3ccco3)CC2)cc1 38619289 PUTIGULUSFRSQD-QFIPXVFZSA-N 490.025 4.092 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413251 NFDVEAACUPQZST-SANMLTNESA-N 457.530 4.330 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102477778 KKTKAYGZOKQUGD-XDXPSGJKSA-N 491.548 4.036 10 10 JICE Cc1cc(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)c(C)n1-c1ccccc1 728857498 JBTVWJYNYHRREG-UHFFFAOYSA-N 475.408 4.233 10 10 JICE COc1cccc([C@@H](C)CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867107907 SBHQGEAFHSHTQY-IRXDYDNUSA-N 470.525 4.108 10 10 JICE CCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867340916 HORNHOWKNDVVKU-RPBOFIJWSA-N 468.617 4.134 10 10 JICE CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871660095 XJKTVXIBJSCRHC-UHFFFAOYSA-N 495.631 4.395 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(OC)cc4OC)cc3)CC2)cc1 1872884322 QVWLMJUVYYWJAD-UHFFFAOYSA-N 461.562 4.287 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873165946 XNKVQVNYJVIFME-YADARESESA-N 462.638 4.294 10 10 JICE CCN(CC)CCN1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168642 CYACVOGATAATSI-UHFFFAOYSA-N 490.673 4.410 10 10 JICE CC(C)OC(=O)C1CCC(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)CC1 1874005801 ASQMWJIWCXWQFP-UHFFFAOYSA-N 472.541 4.203 10 10 JICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2040499478 ZGSHKWQLBLCJLV-WMZOPIPTSA-N 494.642 4.148 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079048125 RANBUKHZGYVMOH-CYBMUJFWSA-N 463.266 4.174 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2296885331 PILCSXZJUSJLMT-LBPRGKRZSA-N 472.327 4.383 10 10 JICE O=C(COc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(c2ccccc2)C1=O)Nc1nccs1 2314482231 CPXBHKAPPSWFPI-UHFFFAOYSA-N 498.567 4.475 10 10 JICE O=C(COc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nccs1 2314488898 ZODVQPBRLVBXRR-UHFFFAOYSA-N 457.558 4.155 10 10 JICE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(CCC)N=C2C(F)(F)F)cc1OC 2332139279 NUOYMLSNRGXYMN-UHFFFAOYSA-N 469.504 4.277 10 10 JICE C[C@@H](C[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335652646 HBJVPNUXZPBYEI-PXNSSMCTSA-N 462.635 4.095 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCC(C)CC5)c(C)c34)CC2)cc1 10013141 GEMNKNASPXCXOW-UHFFFAOYSA-N 465.623 4.207 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 20154809 MTNPACHTBZQUJY-IQGAPNPZSA-N 466.544 4.162 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N21 20206930 OJGQLLLOFKHRAJ-AUIJKELASA-N 490.010 4.067 10 10 JICE Cc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2ccc(O)c(O)c2)CS4)cc1 20485314 WTYPGCIKGCACHB-UHFFFAOYSA-N 478.555 4.096 10 10 JICE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@H]3c3ccc(O)c(O)c3)cc2)CC1 526389163 OKABPLYROAVFSX-RUZDIDTESA-N 475.520 4.046 10 10 JICE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 1860708984 DNFZXHJFEGIWOI-UHFFFAOYSA-N 499.637 4.057 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027742 KIEBYCKAGHBKTO-PEBXRYMYSA-N 494.979 4.198 10 10 JICE CCC[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309384 CWPONMFVZWRNDN-FTJBHMTQSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868721752 ZGQHXQIEOZRWKP-JIPXPUAJSA-N 489.591 4.210 10 10 JICE CCCCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871562868 RDMQFHKBGVRVIC-UHFFFAOYSA-N 491.640 4.373 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccccc5OC)[nH]c4c3)CC2)cc1 1872798468 XYNIDAZIWJZABZ-UHFFFAOYSA-N 456.546 4.133 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)ccc(N)c2C1 2132358299 ZXVVLJDRKIJINQ-KKSFZXQISA-N 458.603 4.008 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163162751 MCJLMGPHLPBZOD-AREMUKBSSA-N 472.630 4.399 10 10 JICE Cc1csc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)n1 2296755603 QFZLDUUXBGAFHF-UHFFFAOYSA-N 454.396 4.054 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c1 2297470384 LLHNXJBOHDIFPP-UHFFFAOYSA-N 477.468 4.293 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OC(C)C 2313549094 MYBXGCHRSAJUAF-UHFFFAOYSA-N 473.323 4.220 10 10 JICE O=C(O)COc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1 2314932175 TUUVPXOBBYHWRH-UHFFFAOYSA-N 450.335 4.318 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O)C(=O)O 2314933067 SANXGYQCWZCDCX-HNNXBMFYSA-N 476.963 4.128 10 10 JICE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139693 HWFCYOOMXLDCLO-UHFFFAOYSA-N 469.504 4.132 10 10 JICE CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C(C)C)CC2 14540362 BVDWGGXBOZMGJQ-UHFFFAOYSA-N 475.637 4.062 10 10 JICE [N-]=[N+]=N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 35024289 JRYQCEUTVAAQHC-BXXSPATCSA-N 487.468 4.330 10 10 JICE CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 40940519 GDZYFSMGOLONQG-VXPUYCOJSA-N 465.600 4.448 10 10 JICE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 102916508 FKWJWUHHQCBOEN-BRDBGPSPSA-N 478.574 4.499 10 10 JICE COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 169677435 DPGYKIDKNIZLCU-BDYUSTAISA-N 473.573 4.219 10 10 JICE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1OC 210520819 WAXXVPDWDPZISJ-CPNJWEJPSA-N 458.561 4.126 10 10 JICE O=C(O)CCCNC(=O)CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210685458 JEHPQFOPCOOHAI-DEDYPNTBSA-N 464.568 4.175 10 10 JICE C[C@@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)cc2NC1=O 727975531 GOWFHZSAPIUMIE-QFBILLFUSA-N 463.559 4.424 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 1084193448 XCFQBBUAGGUMHD-LGMDPLHJSA-N 464.474 4.094 10 10 JICE Cc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1C 1860591565 ZQTMPKMECDFHJD-UHFFFAOYSA-N 496.563 4.335 10 10 JICE Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cccc1[N+](=O)[O-] 1860602919 JVKGKDSRLOMZTH-UHFFFAOYSA-N 497.507 4.170 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ccc(C)cc3)c3ccccc3)CC2)cc1 1861943639 ZIJRYTPTTUNYDO-NDEPHWFRSA-N 471.601 4.143 10 10 JICE CC(C)(NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866860989 WMXMYYVZISSUEQ-UHFFFAOYSA-N 492.535 4.134 10 10 JICE CC[C@](C)(NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385887 COUSLTIRVZLBRN-NAKRPHOHSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)CC2)cc1 1873506533 JZEZCBHWUKFLQT-UHFFFAOYSA-N 455.562 4.267 10 10 JICE CC(C)(C)OC(=O)NCCCC[C@H](NCc1cc(Cl)cc(Br)c1O)C(=O)O 2289786899 PDTWNXOXRMORRM-AWEZNQCLSA-N 465.772 4.046 10 10 JICE COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2294094848 ADEUYOLVESYYHF-UHFFFAOYSA-N 451.276 4.277 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2294204953 XFYICOUPKCMXPG-UHFFFAOYSA-N 453.863 4.340 10 10 JICE COc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)cc1 2297335296 IIFYBILVFRPKDI-UHFFFAOYSA-N 451.953 4.304 10 10 JICE O=S(=O)(O)c1ccc2c(N=Nc3cccc4cccnc34)c(O)c(S(=O)(=O)O)cc2c1 2297730892 DUACZUDBURWDGK-UHFFFAOYSA-N 459.461 4.002 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC)C(=O)O 2314932972 QTTGTSSSSOWPSE-GOSISDBHSA-N 487.599 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCc4sc(NC(=O)c5ccc(C)cc5)nc43)CC2)cc1 8979776 FYECXSDEPYGBJS-NRFANRHFSA-N 476.602 4.091 10 10 JICE Cc1nonc1CNC1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 12152552 OCJFXDYSZYWHMJ-UHFFFAOYSA-N 459.472 4.408 10 10 JICE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1 14461595 HFRQFDIZLRLUKQ-PPJWLVRDSA-N 467.635 4.380 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475831 ZBPLABDQTAQSKZ-IUKKYPGJSA-N 455.536 4.302 10 10 JICE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 16907910 ANOHPPSGIGPKNT-CXUHLZMHSA-N 497.381 4.393 10 10 JICE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCc2ccc3c(c2)OCO3)cc1 20288652 CQIPQGIRPDLMOY-LFVJCYFKSA-N 459.477 4.378 10 10 JICE COc1ccc(-c2cn3c(CCC(=O)N4CCN(c5ccc(OC)cc5)CC4)csc3n2)cc1 23234383 JPKIDROPUCFMEX-UHFFFAOYSA-N 476.602 4.361 10 10 JICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1O 40940502 NFVVGDJCTMSAEG-OQLLNIDSSA-N 479.377 4.018 10 10 JICE Cc1cc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc2c(c1)OCO2 50575788 VUSDDAGBNCUPBH-STZFKDTASA-N 470.529 4.099 10 10 JICE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccccc4Cl)ncn3)CC2)cc1 65133719 NYSBUBGCVLTHCW-UHFFFAOYSA-N 469.998 4.196 10 10 JICE Cc1ccc2nc(N3CCc4ccccc4C3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 102994422 BIFDZCFJIFTMDN-CIAFOILYSA-N 490.654 4.423 10 10 JICE Cc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)s1 211941114 NMMJHTYBOUWZRB-ZCXUNETKSA-N 466.613 4.342 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc(O)c4)c4ccccc34)[C@H]21 1860347529 TXVWIPGNENWZHT-SANMLTNESA-N 452.514 4.133 10 10 JICE Cc1cc(Br)c2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(O)c2c1 1866541868 JXYUMPSRJOYKAC-OAQYLSRUSA-N 494.393 4.330 10 10 JICE C[C@@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866711664 FWJLTAXHWQHDOH-HXOBKFHXSA-N 466.537 4.489 10 10 JICE CC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054602 UBTXOZKTLWSTRS-SYZUXVNWSA-N 466.537 4.489 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](C)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1868765158 VHWZSCUVXILRCC-JIPXPUAJSA-N 489.591 4.219 10 10 JICE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc(OC)c1 1873422286 OWRABEPSKLQJHK-UHFFFAOYSA-N 457.530 4.466 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080004797 ALULLKJNSMSQBY-SFHVURJKSA-N 482.318 4.255 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080022035 DRXXKJCZUOMLOL-INIZCTEOSA-N 467.351 4.206 10 10 JICE COc1cccc(O)c1CNc1cc(I)cc(I)c1 2104449478 VLPMEGZNFOJDJU-UHFFFAOYSA-N 481.071 4.222 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2124510898 CKDXZXSODQVUSZ-UHFFFAOYSA-N 456.591 4.095 10 10 JICE CC[C@H](N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1)c1cc(Br)ccc1O 2238239410 LBTYFIXTKVOTOO-ZDUSSCGKSA-N 457.394 4.059 10 10 JICE O=C1[C@@H]2[C@@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 2313626326 REFKVHSIRLCZNS-ZLNRFVROSA-N 483.907 4.376 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1)C(=O)O 2314932781 YPCYXACPRHPARL-QGZVFWFLSA-N 459.545 4.352 10 10 JICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CC(=O)O)C1=O 2323688010 HFXHQKKBSPWDKK-UHFFFAOYSA-N 463.890 4.416 10 10 JICE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 8384473 DYZXRYSWOWPPOT-UHFFFAOYSA-N 458.470 4.296 10 10 JICE COCCOC(=O)c1sc2ncnc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c2c1C 19950235 CHORNLMHQAXTAG-UHFFFAOYSA-N 473.510 4.322 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccc(Br)c1 34847151 KRDVBZJJFQTIOV-GZTJUZNOSA-N 458.308 4.344 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@@H](C)C2)SC1=S 39989535 RMUVKVLIHQBQHB-VUFYJBQKSA-N 458.653 4.193 10 10 JICE CCOc1ccc(CC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694600 JTXYSLLJJQJWLR-UHFFFAOYSA-N 477.580 4.202 10 10 JICE COCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1614474204 AICFCMCEHWUVJT-CPJSRVTESA-N 468.638 4.399 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)s2)N2CCCCC2)cc1 1858074934 XNIYHKXDNLNYEW-KRWDZBQOSA-N 472.474 4.082 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3c3ccc(Oc4ccccc4)cc3)CC2)cc1 1858109665 BISSZCVVGAOQPT-AREMUKBSSA-N 471.557 4.332 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccn(Cc4ccc(Cl)c(Cl)c4)c3=O)CC2)cc1 1861867275 XRSLYOIHAVUZNC-UHFFFAOYSA-N 472.372 4.174 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864008057 AULSXZOLOLSEIY-YFBXQHAESA-N 488.588 4.041 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc(O)c(O)c1O 1952863344 UTQNGKKXZPDGAQ-DENIHFKCSA-N 461.470 4.200 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2293250281 MDQNVSMLIKSZIY-UHFFFAOYSA-N 478.511 4.236 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1C 2294092669 ISOIURTWDJVKDJ-UHFFFAOYSA-N 457.486 4.106 10 10 JICE CCN1C(=O)C(=CC=C2N(CC)c3ccc(S(=O)(=O)C(F)(F)F)cc3N2CC)SC1=S 2294737348 DSAKOSBLPJIDNT-UHFFFAOYSA-N 491.582 4.252 10 10 JICE O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 3070893 OYALATUSFJCDJQ-SANMLTNESA-N 450.494 4.437 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 33307092 ABEGMMLQASFCNB-UHFFFAOYSA-N 490.585 4.232 10 10 JICE Cc1ccc(/C=C2/SC(=S)N(CNc3ccccc3I)C2=O)o1 34794997 NRUKJAAQVABQDS-RIYZIHGNSA-N 456.330 4.463 10 10 JICE CCCCCCC(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC 34921509 HUCOVIFREJVTNM-UHFFFAOYSA-N 469.692 4.122 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S 40066447 OKLIEAWUOCFSOU-STZFKDTASA-N 496.658 4.288 10 10 JICE O=C(NCc1ccc(N2CCSCC2)cc1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109774350 OHQUGEDUXZDPAI-UHFFFAOYSA-N 498.450 4.390 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CCCC2 170578889 FDLXLTPYQPBJTE-QGZVFWFLSA-N 481.618 4.395 10 10 JICE Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 207099566 ROTGQWGHYFLQMY-GRSHGNNSSA-N 467.528 4.192 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 210752729 XQFORFXZLSDPKL-OBGWFSINSA-N 466.600 4.349 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(F)(F)F)CC1 1301713095 LWZDVMJVQHTPEB-UHFFFAOYSA-N 492.571 4.274 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1359350703 MHOLCDYXSGHYCC-UHFFFAOYSA-N 466.674 4.307 10 10 JICE CC(=O)N1CC[C@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 1563889989 ABOVYFWESYIBMP-NRFANRHFSA-N 458.509 4.054 10 10 JICE CCOC(=O)[C@H](CC)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848064 AIBRDERYRDZYER-IBGZPJMESA-N 473.485 4.222 10 10 JICE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866440700 SQPBFHBEBWRPIZ-UHFFFAOYSA-N 488.883 4.226 10 10 JICE CC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867935142 HBPCWVWVAIOOCT-GOTSBHOMSA-N 489.035 4.397 10 10 JICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640686 LHEMAIZIOLMDJU-UHFFFAOYSA-N 489.668 4.304 10 10 JICE COCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420092 ITZKLPKUGMKSGR-UHFFFAOYSA-N 486.572 4.281 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1cccs1 1873881542 AXGRYKDOCLCANU-UHFFFAOYSA-N 468.582 4.385 10 10 JICE COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2140603533 QXBXOFRUWVODHX-TZIWHRDSSA-N 455.599 4.173 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296545418 PJZZGHPYUVVZRS-UHFFFAOYSA-N 489.578 4.345 10 10 JICE O=C1C(=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296848733 ZZFTVFSXPQZPHS-UHFFFAOYSA-N 461.524 4.481 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1OC 2297305957 CCAAUFMIRGHUDN-UHFFFAOYSA-N 494.931 4.276 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c(OC)c1 2313543817 LGCMRIOYBBGFHR-UHFFFAOYSA-N 475.570 4.251 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 2313560621 ABRWLNGNHNKJSE-UHFFFAOYSA-N 488.407 4.135 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314831583 NVRHTJQPRCIOMY-UHFFFAOYSA-N 468.600 4.316 10 10 JICE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314836271 CFDSSAQFKPUBJM-KGLIPLIRSA-N 464.568 4.172 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc1OC 15040963 JTZLNYNTMMCNSD-ZHZULCJRSA-N 456.589 4.002 10 10 JICE CCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33334570 ZZTGZDCDJISBGZ-XDJHFCHBSA-N 464.616 4.269 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 33391553 YGQSUWHXWGPSIS-DDNKWHRWSA-N 452.601 4.303 10 10 JICE Nc1cc(Oc2ccccc2)c(N)c2c1C(=O)c1c(N)cc(Oc3ccccc3)c(N)c1C2=O 34130095 RKTOZJRZKCANSB-UHFFFAOYSA-N 452.470 4.375 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N12 34145390 SJOHJWLFHVFSOE-PZRDSRLZSA-N 460.924 4.482 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 34377921 BNDQRTZFGJVLNL-RAOBZKRQSA-N 467.572 4.495 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1cc(-c2ccccc2)no1 206726884 ORZOBUSDCFXUNU-UDWIEESQSA-N 467.547 4.388 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCC(=O)O 210457210 JQBZIVNCBDYYBT-UNOMPAQXSA-N 459.545 4.353 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210749597 HICNQAZUQUTBLP-HMMYKYKNSA-N 484.599 4.441 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccc(F)cc3)nc12 213186641 UQTWXRAJMSBIRA-LSPINASFSA-N 497.573 4.315 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cccs4)C3=O)c2C)cc1 248381484 TYOCZQQACUNYIT-XMMPIXPASA-N 451.548 4.204 10 10 JICE c1ccc(CN(Cc2ccccc2)C2(CNCc3ccc(N4CCOCC4)cc3)COC2)cc1 705704098 YNZGSDVEFSFLFK-UHFFFAOYSA-N 457.618 4.084 10 10 JICE CC[C@@](C)(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862112664 STKFEVXKBROIOP-AREMUKBSSA-N 488.028 4.140 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865030634 NKTLEGICHQKLDZ-HOIFWPIMSA-N 482.625 4.102 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867666389 MOJCBATZLUMQLF-VWLOTQADSA-N 475.637 4.086 10 10 JICE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881516121 OAMGYLNTIPQNET-IDISGSTGSA-N 452.643 4.387 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)cc(Br)c2O)OC(C)(C)C1 1926511600 OCLRJXULHDTQQQ-AWEZNQCLSA-N 463.800 4.312 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(F)F 2163164619 IJGUMYUKOGSNNL-LJQANCHMSA-N 482.572 4.301 10 10 JICE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 2268797420 IKUQNADDMTZRJR-FQEVSTJZSA-N 457.575 4.379 10 10 JICE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 2293771898 OOJXSQJDCRSVRC-UHFFFAOYSA-N 484.296 4.311 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 2296881534 NFAZCRFYOZIGCX-UHFFFAOYSA-N 478.979 4.293 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297469234 KLUJCOUBRIHVCO-UHFFFAOYSA-N 471.473 4.107 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(F)cc4C)n3)cc21 11857599 DIYUCUJPUFASBO-UHFFFAOYSA-N 461.540 4.194 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(C)c(C)cc3C)c3ccco3)CC2)cc1 38619250 NTWUJVNVYBTWJT-DEOSSOPVSA-N 483.634 4.055 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 39729168 ZQGVGGRIHXDETR-BJMRFWQKSA-N 494.642 4.495 10 10 JICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989968 TZAOQWZKWUJKOS-MOSHPQCFSA-N 482.631 4.423 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC(C)CC2)SC1=S 39990019 KYPITDYKMNAXLQ-UYRXBGFRSA-N 458.653 4.286 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1nc2ccccc2s1 206726245 BUFWRNZOZFHCFX-GZTJUZNOSA-N 457.577 4.343 10 10 JICE COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1C 1084432079 QFHFHQSBDGJAQR-ATVHPVEESA-N 464.474 4.012 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084503939 CPDMANAYZJNYKZ-MOSHPQCFSA-N 474.473 4.020 10 10 JICE COc1ccccc1N=c1[nH]c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 1860824804 VRJTUTHDDZWSOH-UHFFFAOYSA-N 455.495 4.345 10 10 JICE CCC[C@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862140799 ZGZCVHWWNPVJPJ-JGMOMGQESA-N 463.622 4.466 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258198 XEHVWIUYWQQHIQ-AREMUKBSSA-N 481.637 4.367 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864014366 SXFWGRVRPWTYGS-HSZRJFAPSA-N 490.604 4.222 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864014463 VMLBDDWNSXBIOU-QFIPXVFZSA-N 482.625 4.436 10 10 JICE CCCC[C@@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868940131 DAQLLVKZWKHNNF-QFQXNSOFSA-N 481.637 4.221 10 10 JICE CCN1CCc2cc([C@@H](NC)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2163123288 KAHHSMZABVJCLF-LEAFIULHSA-N 464.654 4.499 10 10 JICE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)c1 2297352634 IHGPNDFMGDKCQF-UHFFFAOYSA-N 476.606 4.247 10 10 JICE O=C1C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314432540 BQWIKKLWBZUZPJ-NQIIRXRSSA-N 469.609 4.135 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314837465 SNSWUNICIJHMRB-GFCCVEGCSA-N 477.405 4.061 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CCN3CCCCC3)c3ccccc23)SC1=S 2326954608 DYIUBBHVTFZSIM-UHFFFAOYSA-N 457.621 4.193 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OC(C)C 40938416 BOXORGAAYQMCER-ZROIWOOFSA-N 474.398 4.311 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3OC)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413250 CBGIHXTUCNIULG-RUZDIDTESA-N 487.556 4.339 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(OC)cc4)cc3)C(=N)N12 96459458 URWNHJGVQKDVSA-IJFTXDGJSA-N 482.587 4.483 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 102464082 QPRMAHVJIWRWPA-XXWDETEYSA-N 495.586 4.038 10 10 JICE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)n1nnc(-c2cccc(C(F)(F)F)c2)n1 104564634 YFNSOPFNZKBVLW-CYBMUJFWSA-N 491.429 4.334 10 10 JICE COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084214076 DOFIJQWNDOCZLZ-POHAHGRESA-N 469.719 4.082 10 10 JICE Cc1cc(I)ccc1/N=N/N1CCN(Cc2ccc3c(c2)OCO3)CC1 1860486512 HXXWCJZDKIPOJA-QURGRASLSA-N 464.307 4.145 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccnc(Cl)c4)CC3)ccc21 1860603257 DIWCQAWFDWTVLF-UHFFFAOYSA-N 473.916 4.001 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccccc3[nH]2)sc(C)c1-c1ccc(F)cc1 1860747190 YMSJUFZPAKOJFL-UHFFFAOYSA-N 494.548 4.213 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010336 KWUJPLJGDASWDT-JOCHJYFZSA-N 476.577 4.093 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869193142 ZHTTVXGVPDNOPU-XMMPIXPASA-N 488.636 4.082 10 10 JICE CCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170910 WGLUVKZVQRDIHS-UHFFFAOYSA-N 462.638 4.438 10 10 JICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873419710 QAGKIASDQLXHEN-QFIPXVFZSA-N 499.567 4.252 10 10 JICE Cc1cccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1O 2204604970 JWTBHIYRUXNXQB-UHFFFAOYSA-N 467.610 4.266 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294199333 SVNQTRAVBZYHNQ-UHFFFAOYSA-N 470.865 4.269 10 10 JICE CCOC(=O)c1ccc(NC=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCC)C2=O)cc1 2294778318 ZBVCKIMGKHZZGP-IBGZPJMESA-N 484.599 4.151 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc2nc(C)[nH]c2c1 2296820855 PNGMDRAMLIFCDG-UHFFFAOYSA-N 457.275 4.194 10 10 JICE CCOC(=O)CN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2297465484 MUAUKYHOIPRQDK-UHFFFAOYSA-N 472.975 4.021 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Br)c1O 2297506244 JOCMOGYUUXLFTN-UHFFFAOYSA-N 456.079 4.128 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2314413556 ARKCFLQVLUVZBH-UHFFFAOYSA-N 486.663 4.375 10 10 JICE COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccc(C)cc4)s3)=NC2=O)cc1 2314952278 ZABWTIMSDWJHNT-UHFFFAOYSA-N 497.627 4.090 10 10 JICE CCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 33335117 GVFRCDUVZZBMSH-WUKNDPDISA-N 457.964 4.013 10 10 JICE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)N=C2O)cc1OC 33409658 MPOAIJMAUQDJDP-UYRXBGFRSA-N 480.517 4.441 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989564 DRZILUOEOOZAKF-FASCHPMRSA-N 472.680 4.439 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413699 GXNKHIMFKWAXGK-QHCPKHFHSA-N 472.570 4.279 10 10 JICE COc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)N2CCOCC2)cc1OC 247826660 JNTKBQIOUPRJPC-XMMPIXPASA-N 481.568 4.054 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1705574918 SGKVWABKRUWHFD-UHFFFAOYSA-N 498.631 4.292 10 10 JICE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1544631248 XHHOAPCTDDMFFA-QINSGFPZSA-N 452.448 4.405 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1Cl 11857790 ZJCYBIXFQOAJBK-NSHDSACASA-N 479.967 4.017 10 10 JICE CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CCN(Cc1ccc(N3CCCC3)cc1)C2 14741157 PQGJLCQRQHSCBF-UHFFFAOYSA-N 472.637 4.023 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15036596 OHIGVDNDGGBGBY-HKWRFOASSA-N 484.599 4.441 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15049072 SNSWUNICIJHMRB-HJPCULJESA-N 477.405 4.061 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c[nH]nc3c2)sc(C)c1-c1ccc(F)cc1 1860746813 FZXNFNLHPBBOGX-UHFFFAOYSA-N 466.494 4.493 10 10 JICE O=C(C[C@@H]1CCCCO1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867247462 CXKRSATZNCREQY-NBGIEHNGSA-N 496.563 4.087 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)Cc5cc(OC)ccc54)nc(C)n3)CC2)cc1 1869296186 GAQCVSCCHCHZPO-IBGZPJMESA-N 459.594 4.459 10 10 JICE CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870362997 LZGWQGFQVMBENA-UHFFFAOYSA-N 486.616 4.302 10 10 JICE COc1ccccc1N1CCN(C(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)CC1 1873506896 UGFFKFVLFWHWAE-UHFFFAOYSA-N 455.562 4.267 10 10 JICE COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C(C)C)cc1 1891477472 YZMQUISIIXPGIW-VPGCXLQWSA-N 493.673 4.394 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](CNCc2c(O)cccc2Br)(C(F)(F)F)C1 2167683430 MBGAROYTKXKIHB-QGZVFWFLSA-N 453.299 4.434 10 10 JICE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2314414459 ZPBRLKRYQXPPHA-UHFFFAOYSA-N 454.621 4.219 10 10 JICE Cc1ccc(OCCCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944913 IGRSILNFKOFTJY-UHFFFAOYSA-N 496.610 4.247 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468673 HRULZHZPFVIYOY-GLDPYIMESA-N 456.564 4.134 10 10 JICE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 16694525 WMKRZUHPBYVTIQ-UNOMPAQXSA-N 486.347 4.163 10 10 JICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989956 XWNXIGHDXOGMLR-UNOMPAQXSA-N 458.653 4.286 10 10 JICE COc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 104602315 ZMLLKEMGBSLEKQ-LUCDKTHESA-N 492.557 4.278 10 10 JICE CCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1860758243 HRCYLFHZXADVCK-UHFFFAOYSA-N 453.358 4.127 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(N5CCCC5)cc4c3=O)cccc21 1866468620 CUGWMHDMVTYCSA-UHFFFAOYSA-N 463.493 4.156 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(F)cc4)cc3)CC2)cc1 1874741926 QCTRTDYNMBLTGM-UHFFFAOYSA-N 462.521 4.449 10 10 JICE COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C2CC2)cc1 1890883921 WKSBCRIAAZEEOW-PMEUPWEYSA-N 491.657 4.148 10 10 JICE Cc1ccc([C@@H](n2nc(C(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079138734 LFOUWERZFLAKAA-MRXNPFEDSA-N 453.324 4.114 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cccc(C)c1 2296660287 UCXSGPAYORYJBD-UHFFFAOYSA-N 458.514 4.313 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 2313682607 HCHXAKDDKNUNGE-UHFFFAOYSA-N 487.556 4.406 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 2321596614 RXYQDRKQSWUFFX-UHFFFAOYSA-N 456.589 4.348 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)cc4C)n3)cc21 11857643 QPCZTIROYMWQQU-UHFFFAOYSA-N 473.576 4.063 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33393712 LMEJHPKFNULDGR-JDKNLOAYSA-N 471.473 4.107 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 47133165 FAXGJYGIQNDIAY-WJDWOHSUSA-N 486.600 4.345 10 10 JICE CCCCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[nH]1 64074711 BNZNILJZQGBICJ-UHFFFAOYSA-N 472.633 4.490 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 208733918 BZXKQUXSLDKDFX-PDGQHHTCSA-N 451.276 4.371 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)[C@H]2C1 1468671077 XEJNQOIKXKYPQE-HSQYWUDLSA-N 458.400 4.233 10 10 JICE CC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CCCSc2nccs2)CC1 1540968116 BEBSONVNQCDPSL-UHFFFAOYSA-N 484.695 4.151 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)CSc3cc(Cl)ccc3Cl)cc2)CC1 1625192439 BXRDUECIZBIDEI-UHFFFAOYSA-N 452.407 4.070 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861915337 JWPDXDJVYIEQOO-JOCHJYFZSA-N 488.426 4.095 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864016190 JIEQRPRLZUPTHQ-DKZVUGQWSA-N 488.588 4.371 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917517 KFVUOJQRSZMZGU-CUBQBAPOSA-N 480.653 4.003 10 10 JICE CC[C@](C)(NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868848393 KRCLDNSQQNMYBM-IGKIAQTJSA-N 469.601 4.208 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871525700 NLAHSSQPRSSNEF-UHFFFAOYSA-N 482.032 4.484 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873166284 JYMFXYYXGWOVRN-UHFFFAOYSA-N 487.600 4.397 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080053026 RDVPNVLMQYOGKV-QGZVFWFLSA-N 466.319 4.455 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2297342046 BHFODGGYVKDHPX-UHFFFAOYSA-N 466.852 4.430 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 1135842 FMXUFASHEBKTRY-NDENLUEZSA-N 494.862 4.423 10 10 JICE COC(=O)c1cnn2c(O)cc(CSc3nnc4c5ccccc5nc(-c5ccc(C)cc5)n34)nc12 21727354 RACXCRGPEVZUQO-UHFFFAOYSA-N 497.540 4.080 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 39793780 NPCHHPKURDAGEM-QNGOZBTKSA-N 468.600 4.492 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1084456264 ZABGUOLEDRRNMH-UNOMPAQXSA-N 488.587 4.160 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N=c2cc[nH]c(C)c2)sc(C)c1-c1ccc(Cl)cc1 1860747199 ZFEKAERQYKQULE-UHFFFAOYSA-N 457.939 4.256 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862281050 FWICBURYIGSJCI-XMMPIXPASA-N 483.678 4.193 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864011694 KAZPLTFIDHKRSR-JOCHJYFZSA-N 496.995 4.305 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865031912 QZSOVIOAEMPWNE-NRFANRHFSA-N 476.577 4.324 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309820 DMHNBRKEGWCARI-SXOMAYOGSA-N 494.680 4.393 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(Cc2ccccc2)C(C)C)n1 1867956230 XCNPNAGGQHOWRQ-UHFFFAOYSA-N 475.637 4.416 10 10 JICE NC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871114526 BREQBDJRDKSYPD-UHFFFAOYSA-N 454.530 4.116 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873162310 PGZHGVDOGUTDPT-UHFFFAOYSA-N 484.644 4.348 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(Cl)c3)n4C)CC2)cc1 1873650104 BLKDXMFAMMXTPV-UHFFFAOYSA-N 476.968 4.209 10 10 JICE CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(N(C)C)cc1)C[C@@H](C)C2 2040843774 XOECVPBJORHTQE-GOSISDBHSA-N 456.590 4.242 10 10 JICE COc1ccc(Br)c(CNCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1O 2236052082 BHGFEPGMZPGCOU-ZDUSSCGKSA-N 457.287 4.099 10 10 JICE CCc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 2297554624 MSGRWJZTZUIIOK-UHFFFAOYSA-N 468.644 4.252 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NCc3ccco3)nc12 2314414190 RWJIFHQLFQOMQU-UHFFFAOYSA-N 466.588 4.352 10 10 JICE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314509694 WZULWUZQVNDFNU-INIZCTEOSA-N 479.583 4.175 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 16919679 ANXKGDGVXMGQHD-RCCKNPSSSA-N 487.599 4.391 10 10 JICE N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 20332236 OCVUXFVLKZCBBH-CYPXAJCBSA-N 476.539 4.182 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccn4c(-c5ccc(Br)cc5)nnc4c3)CC2)cc1 65296652 XRBSOLXFHSAEFT-UHFFFAOYSA-N 492.377 4.130 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 100276279 JDVVFCSBUBKTDF-MMTNMYCKSA-N 462.546 4.024 10 10 JICE C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)/C(=C/c2cccs2)SC1=S 103040335 VNSGDEYDWXKDRT-XACIZNRCSA-N 459.593 4.317 10 10 JICE O=C1C(=O)c2cc(I)sc2-c2sc(I)cc21 169460407 RBXXXNSPJZDONQ-UHFFFAOYSA-N 472.066 4.065 10 10 JICE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586672343 WZKKTDMPIYMYPK-CALCHBBNSA-N 483.524 4.355 10 10 JICE Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1C(=O)O 1084351085 GKDACIANXHFFIP-WQRHYEAKSA-N 450.834 4.273 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC(C)C)cc3)sc2CCC(=O)O)cc1 1858035105 PTYMKSZSBFKACU-UHFFFAOYSA-N 476.576 4.424 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864017269 IYIPFPSLDXLCBH-QFIPXVFZSA-N 476.577 4.237 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865033537 BVLVDJBKBGXPKC-QGZVFWFLSA-N 496.530 4.312 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866205023 RWHBPNQWZKNVAD-SFTDATJTSA-N 492.597 4.341 10 10 JICE CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370852 LUNZBKJOHDJAKF-RPWUZVMVSA-N 471.045 4.258 10 10 JICE CC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867811989 SHUTZXWLQLEJAS-FGZHOGPDSA-N 490.570 4.022 10 10 JICE Cc1ccc([C@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)c(O)c1 2079024098 YNDQCGZGMOPBES-KRWDZBQOSA-N 452.336 4.435 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)ccc(N)c2C1 2163169721 NYTQQLONJWYTCQ-UHFFFAOYSA-N 472.630 4.399 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 2294259277 ZWLUGTFPKSTLQG-UHFFFAOYSA-N 492.528 4.253 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2297347687 TXMJLCMPXKGBTN-UHFFFAOYSA-N 486.278 4.110 10 10 JICE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCc2ccccc21 2297559624 WZOYDJZXVCTORL-UHFFFAOYSA-N 468.600 4.275 10 10 JICE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1O 2314769986 XPCITLPTFPWFPV-HNNXBMFYSA-N 480.361 4.190 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 6266689 CHCJPXLEUCLFJX-HAHDFKILSA-N 460.461 4.470 10 10 JICE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 12948399 NHUMVKNYEYGTCO-HMMYKYKNSA-N 488.594 4.344 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(OC)c3)C(=N)N12 20205554 CTZATEZZAMCXMU-YHBINRDGSA-N 482.587 4.483 10 10 JICE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1Cl 32964481 FBKMVUPQYIXDBC-OAWRKLJLSA-N 453.833 4.321 10 10 JICE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 33423502 UMILWKDKWMXRKH-VXPUYCOJSA-N 453.589 4.117 10 10 JICE O=[N+]([O-])c1cc(Br)cc([C@@H]2Nn3c(nnc3-c3ccccc3Cl)S2)c1O 59168664 WMJXIBZCWGVGDZ-CQSZACIVSA-N 454.693 4.323 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 104673708 OEWIIMBXPADLLX-UHFFFAOYSA-N 455.458 4.063 10 10 JICE C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(N2CCOCC2)cc1 727309551 ALRWFAUVSPKWNC-GOSISDBHSA-N 450.608 4.227 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)c2)CC1 1447793727 JCKJJHYTDYZBJF-UHFFFAOYSA-N 458.562 4.136 10 10 JICE C[C@@H]1CN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)C[C@@H](C)O1 1772724886 BRCSDABMFILGHF-XDLCVMBESA-N 452.601 4.184 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)COC)C2)sc(C)c1-c1ccc(OCC)cc1 1860655662 SGKHJDROCUYNLY-SFHVURJKSA-N 488.606 4.122 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019967 SLAZUFYIXHPIGN-RNODOKPDSA-N 482.968 4.109 10 10 JICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H](CO)C2)n1 1868387019 OMBFPFSSCWCVQR-QGZVFWFLSA-N 456.546 4.157 10 10 JICE COc1ccc(N2CCN(C(=O)CCN3C(=O)/C(=C\c4ccccc4)N=C3c3ccccc3)CC2)cc1 1871269629 HQFUBYFDBRDUSF-HPNDGRJYSA-N 494.595 4.064 10 10 JICE CCCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650226 MPAJJOZWRPWFKJ-UHFFFAOYSA-N 470.577 4.429 10 10 JICE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)C1 1892120741 IFJARWCXMOOKTQ-XTMHLJAPSA-N 481.662 4.272 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc(O)c(O)c(O)c1 1952826543 ZRNLTLQODROXEE-XXBNENTESA-N 461.470 4.200 10 10 JICE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080035962 UQGRWZVUEHEVRL-CQSZACIVSA-N 493.267 4.317 10 10 JICE CN1CCCc2cc([C@H](N)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106863624 JMVRHEYCRURENL-RPLLCQBOSA-N 450.627 4.238 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 2163175800 DSPZLHXIANERAX-PLMTUMEDSA-N 472.630 4.302 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 2294134283 ZOSLZJLBOQUSSH-UHFFFAOYSA-N 451.822 4.483 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 2297341907 OGPDUUIJLKMCEH-UHFFFAOYSA-N 496.878 4.439 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314827901 OXIDUUCSZTVTLG-UHFFFAOYSA-N 458.561 4.030 10 10 JICE COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCc4ccc(N(C)C)cc4)CC3)[nH]c2c1 15868701 DXKGUONHZRQFNM-SFHVURJKSA-N 462.594 4.047 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)N2CCc3ccccc3C2)cc1 16914682 MGIOHMACCBEECV-HHHXNRCGSA-N 463.647 4.014 10 10 JICE COc1ccc2nc3cc(Cl)ccc3c(NCCCCCn3cnc4c(=O)[nH]c(N)nc43)c2c1 31518191 WZOKBBJTDBAWOW-UHFFFAOYSA-N 477.956 4.348 10 10 JICE COc1ccc(N2CCN(c3ncnc(Oc4ccc(Cl)c(C)c4)c3[N+](=O)[O-])CC2)cc1 40611256 ZHVUNXHBAHKZDR-UHFFFAOYSA-N 455.902 4.474 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1cc2ccccc2[nH]1 103040693 XTLGTBRRAKGKGA-XSFVSMFZSA-N 453.564 4.257 10 10 JICE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc(N2CCOCC2)cc1 210321366 OIDVURKAEJZQBH-RAXLEYEMSA-N 465.557 4.101 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2 226633397 DAUSAVXFFABPLT-SWYRRKHMSA-N 462.571 4.445 10 10 JICE O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692756 OIRMCPVIIYERMO-SFHVURJKSA-N 469.497 4.015 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(C)n1-c1ccccc1 730911749 OECRFVOIQRXCEN-QHCPKHFHSA-N 479.552 4.088 10 10 JICE O=S(=O)(c1ccc(N=Nc2cc(Cl)cc(Br)c2O)cc1)N1CCOCC1 1084121248 KBGBDZIPQUPYBT-UHFFFAOYSA-N 460.737 4.244 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1858592855 ZOOXZFXGGFLYRL-BMANGOCTSA-N 453.463 4.308 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1858592856 ZOOXZFXGGFLYRL-VGVSSDJJSA-N 453.463 4.308 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)OCc3ccccc3)c3ccccc23)SC1=S 1860826744 LNJCPDRNXGWSHJ-FYJGNVAPSA-N 494.594 4.451 10 10 JICE CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1868165269 LBRKYGBTFCHNLU-UHFFFAOYSA-N 466.493 4.356 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873165917 WMGVGABUQYZXBW-UHFFFAOYSA-N 471.601 4.433 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H](O)c1ccc(Cl)cc1 1873971036 NZFBYZKKNXMPQA-XMMPIXPASA-N 498.970 4.078 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@]1(CN)CCN(Cc2ccccc2)C1 1881345066 HBVABFYVISHUOP-HHHXNRCGSA-N 450.627 4.067 10 10 JICE O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc21 1892265257 VAKQDQSMDYZBPQ-UHFFFAOYSA-N 450.545 4.085 10 10 JICE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2074369050 WZBVWEFYKQVLNH-QUCCMNQESA-N 450.624 4.026 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1)C(=O)O 2314932629 XUUMZRSRMPNELF-INIZCTEOSA-N 476.963 4.128 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1)C(=O)O 2314932630 XUUMZRSRMPNELF-MRXNPFEDSA-N 476.963 4.128 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 13894978 QDRYVCYAXOCQPM-HKWRFOASSA-N 463.471 4.169 10 10 JICE O=C(O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 16906438 SLIPHQXTFPCNSD-OQLLNIDSSA-N 450.335 4.318 10 10 JICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 35241169 AXHSNUHIYKYUIB-XDJHFCHBSA-N 486.663 4.375 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n(Cc5ccccc5)ccc4s3)CC2)cc1 65119222 ZDYFFSZPXCCFGO-UHFFFAOYSA-N 459.571 4.082 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 100276456 QXDOBRBJWINPJT-WWJLXRQJSA-N 476.573 4.271 10 10 JICE Cc1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c(C)n1-c1ccc2c(c1)OCCO2 106016815 AUMSGIOJJFSWKY-OAQYLSRUSA-N 461.566 4.161 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 213211104 AZUSMNHCVSEZBF-IZQLPPHKSA-N 493.610 4.484 10 10 JICE O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 254617092 IOUDTOHLUMFKAX-UHFFFAOYSA-N 474.497 4.492 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010337 KWUJPLJGDASWDT-QFIPXVFZSA-N 476.577 4.093 10 10 JICE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)CC2=O)cc1 1865925782 RFOCGXKCBOXFRB-DOTOQJQBSA-N 498.601 4.218 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)COc2cccc(Br)c2)N2CCCCC2)cc1 1866134558 DNGOLQHJWAJNTK-JOCHJYFZSA-N 460.416 4.237 10 10 JICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)OCc1ccccc1 1871066899 NUDGMBOXIFODDH-UHFFFAOYSA-N 499.567 4.319 10 10 JICE COCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170741 ODIKNOGOLGAICY-UHFFFAOYSA-N 471.601 4.433 10 10 JICE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425757 FSGWYXGZBYOBAZ-UHFFFAOYSA-N 493.567 4.455 10 10 JICE COc1cc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n(C)c2c(OC)c1OC 1874179352 ZTYSHFURBAFQRW-UHFFFAOYSA-N 470.481 4.232 10 10 JICE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875232617 RACNUONNIDKYMJ-UHFFFAOYSA-N 488.592 4.256 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2293374293 DPAHXSLWGYACNQ-UHFFFAOYSA-N 464.547 4.409 10 10 JICE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 2301666312 DWOVEFDNBQOEKC-HSZRJFAPSA-N 460.530 4.074 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 2328574487 PTJVOIANHMAPHA-HHHXNRCGSA-N 473.548 4.054 10 10 JICE Cc1ccc(CNC(=O)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380737282 MFDNAYJTTPFCDS-LBPRGKRZSA-N 451.308 4.018 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2509062 FPMRJNOJZSIUHH-FOCLMDBBSA-N 483.409 4.032 10 10 JICE CCOC(=O)Cn1cc(/C=C2/C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 33333125 XKEMFCAFGBIENZ-MOSHPQCFSA-N 495.988 4.421 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 33417679 YVZUZJWOXTYNDY-YBFXNURJSA-N 456.545 4.044 10 10 JICE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)c(O)c1 38175590 RFNLJDYGWASRTG-BNPRSSFJSA-N 465.594 4.305 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)Cc3ccccc3Cl)c3ccco3)CC2)cc1 38598139 FLKJXFBINHRKQW-QHCPKHFHSA-N 453.970 4.164 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 102989763 SXFCQGSABLNLGL-IQFISFIMSA-N 474.652 4.230 10 10 JICE O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 170552774 BRTACQMUTQSKED-UHFFFAOYSA-N 489.578 4.450 10 10 JICE CCOCCCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699601 WTDZXEINIQATPO-UHFFFAOYSA-N 471.513 4.262 10 10 JICE COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)CC2=O)cc1OC 1865927101 IUIWLHQVZIZSRL-IBGZPJMESA-N 475.545 4.108 10 10 JICE Cc1ccccc1-c1nc(CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1868135249 RZEKGYGVJJZZID-UHFFFAOYSA-N 493.519 4.031 10 10 JICE CC1(C)[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@H]1c1nc(O)c2ccccc2n1 1874179251 VLMTYKVYUGLSBE-FCHUYYIVSA-N 463.493 4.489 10 10 JICE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1 2294400573 DQROPKHFVBLPSS-UHFFFAOYSA-N 493.313 4.188 10 10 JICE COc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297349436 SAJJXLHSKRQGTJ-UHFFFAOYSA-N 456.545 4.044 10 10 JICE O=C1C(=Cc2ccccc2)SC(=S)N1C(=O)c1ccccc1I 2297578840 SUTPPQQRGCCTJR-UHFFFAOYSA-N 451.310 4.333 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Cl)c1O 2313571217 PZXSGAGZIVBOAM-UHFFFAOYSA-N 483.677 4.012 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC)C(=O)O 2314933425 VYGUORYAYJLEKT-MRXNPFEDSA-N 459.545 4.352 10 10 JICE O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S 2844657 BASITIPBIUQUOT-PXNMLYILSA-N 482.352 4.453 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCc3ccccc32)cc1 9529634 ZGNSQTNFUPJDQH-VWLOTQADSA-N 453.542 4.393 10 10 JICE COc1ccc(O)c([C@@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659014 SCSYJIXAKRHAHD-DEOSSOPVSA-N 494.551 4.232 10 10 JICE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392968 VEFZQUSGWDKYPJ-RBYWHNRPSA-N 496.683 4.081 10 10 JICE O=C(CN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)NCc1ccccc1 33423732 OPPZDGAVDUWJSR-GHVJWSGMSA-N 491.638 4.254 10 10 JICE CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314224 WOKNPEBPPYAKQW-JOCHJYFZSA-N 483.977 4.111 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526613514 JIGOPSZNLLVGNW-DEOSSOPVSA-N 461.470 4.375 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3ccsc3NC(=O)c3ccccc3Cl)CC2)cc1 730535681 CTENCWMRLNBARB-UHFFFAOYSA-N 499.036 4.214 10 10 JICE CN(C)CCn1c(=O)oc2ccc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc21 746692805 ARFOYXDKSQPNRO-QFIPXVFZSA-N 498.543 4.316 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)C1 1722749463 AUCSCOJZGMNQON-XMMPIXPASA-N 492.668 4.472 10 10 JICE CC(C)COC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826720 JTXQJWSJVLOAEX-SKCQWOFPSA-N 474.604 4.468 10 10 JICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864010722 VWPVAOFNGURYOF-VOIUYBSRSA-N 490.604 4.393 10 10 JICE CCN(CC)CCCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164221 RJAIXZPOFVLELU-UHFFFAOYSA-N 474.605 4.289 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCN(C)C)C2=O)cc1 1873167982 FKHLMKUZNIEZHU-NRFANRHFSA-N 456.590 4.086 10 10 JICE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079982512 WLODURXKSXPWMU-GOSISDBHSA-N 484.334 4.331 10 10 JICE CN(C[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106776805 LUFSUCAWZBIZAU-PZJWPPBQSA-N 463.619 4.156 10 10 JICE COCC[C@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2157561968 FNRFZSGMJVPUBH-LJQANCHMSA-N 463.800 4.314 10 10 JICE N=C1C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(c3ccccc3F)=NN12 2297346867 RGTKLKVZVSNWNR-UHFFFAOYSA-N 460.450 4.192 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c(C)c1 2313558715 ICMGNNAEBNRWNO-UHFFFAOYSA-N 491.544 4.160 10 10 JICE COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 9994812 IBLDWEXCXNOAAC-BHIFYINESA-N 487.895 4.044 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 16045445 CMFIWTUVLKDIPJ-RUZDIDTESA-N 477.992 4.039 10 10 JICE COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(C)c1 33369861 HWXRVBHTQBAAMV-KGENOOAVSA-N 469.994 4.396 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)Cc3ccccc3Cl)c3ccco3)CC2)cc1 38598140 FLKJXFBINHRKQW-HSZRJFAPSA-N 453.970 4.164 10 10 JICE N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103621712 BLAMCRKEBGNCCX-FNSVQNJISA-N 467.938 4.232 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c(C)n1-c1ccccc1 730911747 OECRFVOIQRXCEN-HSZRJFAPSA-N 479.552 4.088 10 10 JICE Cc1nc(C2(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)CCCC2)no1 914448410 CQUDMWMQFJIBMZ-QINSGFPZSA-N 462.622 4.007 10 10 JICE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)n12 1858593875 BMPWHECSBKJBTB-SJWLEHQBSA-N 463.993 4.255 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccc(F)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1860766735 MACUNWGBXSPLGF-UHFFFAOYSA-N 494.548 4.131 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864011172 RAEVEJINTSHJAA-DEOSSOPVSA-N 484.556 4.356 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014127 NXJAGDUWHBXLBL-JHXQMKRWSA-N 492.620 4.046 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1869223619 PUFZHUXYMOUQES-VWLOTQADSA-N 473.621 4.342 10 10 JICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873424779 WEIVWCDSZJRPNL-UHFFFAOYSA-N 457.530 4.481 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 2293571202 VAKQEDOWNGVWEI-UHFFFAOYSA-N 454.533 4.395 10 10 JICE CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 2294276898 HOSGZHMKMAMHMC-UHFFFAOYSA-N 495.782 4.380 10 10 JICE O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 2296160267 IWFIPBSUPFIDSU-UHFFFAOYSA-N 455.583 4.126 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 2296715371 VJBRWGNHVTWUDB-UHFFFAOYSA-N 492.626 4.459 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296846612 DYLFTETXFKLLLX-UHFFFAOYSA-N 492.626 4.013 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1OC 2297347406 DFMFEVYXWFJRLD-UHFFFAOYSA-N 483.908 4.265 10 10 JICE COC(=O)[C@H](c1ccccc1)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326954777 VBKWMGIERSZGQY-QFIPXVFZSA-N 494.594 4.470 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330541049 BUDAQKRHROGZGY-UHFFFAOYSA-N 476.404 4.259 10 10 JICE CN(C)c1ccc(CN[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(Oc5ccccc5)cc4)CO[C@H]23)cc1 3841822 SYUWSMNNOZFIGM-FICKONGGSA-N 489.572 4.418 10 10 JICE biogenic Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)cc1 20208615 SRCCVNSFQBKKHN-WZBMNHFVSA-N 488.616 4.387 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC(C)C)[C@H]3C2)cc1 96458283 CVRMOWDAQZVOLM-FYYLOGMGSA-N 461.528 4.354 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102735836 AOIWBSXIBDXSNW-ZJRBDENDSA-N 487.585 4.287 10 10 JICE CC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)cc1O 1646298805 INXJIHOJHSGXQZ-UHFFFAOYSA-N 451.280 4.319 10 10 JICE BrC1=CCCN(c2nnc(Cc3ccccn3)n2CCCSc2nccs2)C1 1689822624 HBMRRMARFGQBLH-UHFFFAOYSA-N 477.457 4.392 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1858590393 NTXAKFPTEINHPY-BMANGOCTSA-N 464.362 4.052 10 10 JICE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858959106 OKEPGZDFYBQIQF-FRKPEAEDSA-N 493.585 4.199 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cccc21 1860588135 LHMSELYLIMHCBH-UHFFFAOYSA-N 470.500 4.021 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010959 QPZDLBNBUJLNIT-JOCHJYFZSA-N 476.577 4.011 10 10 JICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015724 DLEYNCWEZCDNIT-JOCHJYFZSA-N 488.588 4.371 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2Br)N2CCCCC2)cc1 1866135038 GGBSWBAQZZDXFL-NRFANRHFSA-N 460.416 4.237 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079876464 JXJIQEHFJRMCEN-CYBMUJFWSA-N 480.249 4.473 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)c(O)c1 2080002477 YHGOUOUHTOKTPK-GOSISDBHSA-N 456.324 4.207 10 10 JICE CC(=O)Nc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 2297347308 AJFDXRDPGRXIHV-UHFFFAOYSA-N 491.573 4.378 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1 2313502038 KGRIQGRINZJOLW-UHFFFAOYSA-N 458.561 4.151 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F 2313682908 NOLRBRKFOITZOE-UHFFFAOYSA-N 478.383 4.145 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 2314828968 XKSNPUSBVRZBTC-UHFFFAOYSA-N 472.588 4.338 10 10 JICE COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 2314831946 WGDUCVVJVGBEOR-UHFFFAOYSA-N 478.636 4.218 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2ccccc2F)CC1 2330189183 VVNLDMFFWAZSJY-UHFFFAOYSA-N 457.550 4.281 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812067 MIHZFZRKMUNKQJ-DKNZLLBESA-N 470.664 4.336 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4nc5ccc(C)cc5s4)c3[N+](=O)[O-])CC2)cc1 40611213 VKFAJKJYCZHMNN-UHFFFAOYSA-N 477.550 4.382 10 10 JICE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1 210704246 VEENXHMYTOZNCQ-OBGWFSINSA-N 462.637 4.337 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1O 1167789212 KPSZJLSRSHFJMF-AWEZNQCLSA-N 456.926 4.063 10 10 JICE CC[C@@H](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838777 LWJDOHSYAIUWJG-OYLFLEFRSA-N 496.519 4.120 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868873014 XXLGJRDTKQUARR-VWLOTQADSA-N 470.013 4.087 10 10 JICE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1C 1892129286 GZIVGCBYNBGXGF-AYRHNUGRSA-N 495.689 4.378 10 10 JICE COc1ccc(N2CCN(C(=O)C=Cc3ccc(OCc4cn5ccccc5n4)cc3)CC2)cc1 2040483737 GVBDYEXQBGLRRY-UHFFFAOYSA-N 468.557 4.284 10 10 JICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1[N+](=O)[O-] 2296710604 CBHSFIXMRYROLJ-UHFFFAOYSA-N 452.517 4.335 10 10 JICE CCCn1cc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c2ccccc21 2296928498 RNAKYVYIHDRRGN-UHFFFAOYSA-N 499.308 4.322 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 2297342026 GOWIOADNQMICOO-UHFFFAOYSA-N 464.424 4.219 10 10 JICE CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 2313548605 ZQJBBAARVPJRKY-UHFFFAOYSA-N 473.323 4.303 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1 2314399972 GICDFZYFYUSPKZ-UHFFFAOYSA-N 454.621 4.075 10 10 JICE CCCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945261 CSBWCCUJYBLWAZ-UHFFFAOYSA-N 460.577 4.051 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@@H]21 20702855 KRVAYLSJLVDCIZ-YDIMBITNSA-N 450.535 4.213 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 33417460 XYDORVULCZGAEJ-KFGVSYDZSA-N 468.560 4.182 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCC(C)CC2)SC1=S 33470187 ZYDAMQQOAJWTDW-UZUMKDMXSA-N 458.653 4.284 10 10 JICE CCOC(=O)CSCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 33925797 SPKSCISNPVKOLW-ZHZULCJRSA-N 454.548 4.176 10 10 JICE CCN(CC)c1ccc([C@@H]2N(C(=O)C(F)(F)F)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 36059949 YBAJZEIEQTUPJF-UWJYYQICSA-N 483.556 4.324 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4nc5ccccc5s4)c3[N+](=O)[O-])CC2)cc1 40611175 OEYIKZOWJMTOIX-UHFFFAOYSA-N 463.523 4.073 10 10 JICE CC(C)C1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccccc4)cc3)C(=O)N=C2S1 96930644 SKXNHCMDHFNQGC-INYGCOGDSA-N 478.574 4.436 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210717764 RODNSXRQDUJMAW-CPNJWEJPSA-N 458.561 4.030 10 10 JICE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1ccc(N2CCCCC2)cc1 389212404 JBJNOPZRRYOCRU-UHFFFAOYSA-N 462.635 4.185 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526227363 ADZHALQVAHXSII-DEOSSOPVSA-N 479.485 4.189 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)c2)CC1 1516471067 JRFNRJVETUPWCN-UHFFFAOYSA-N 450.926 4.448 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019477 ZRDBEAWYEBPRJW-OAQYLSRUSA-N 496.995 4.169 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3ncncn3)CC2)n1 1868275112 LGRVFEPUFJDNJI-UHFFFAOYSA-N 491.555 4.127 10 10 JICE CCCOc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659656 PDIWTSIELYCFPW-UHFFFAOYSA-N 461.606 4.325 10 10 JICE CCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871581925 CUEDLQDWANKRSM-UHFFFAOYSA-N 461.614 4.147 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650189 NXKCIBUDRRDIBR-UHFFFAOYSA-N 495.631 4.023 10 10 JICE COCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296707839 QTVVSSPQWRHVTI-UHFFFAOYSA-N 483.640 4.392 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2296835668 MVRUWJIMYXOZGV-NSHDSACASA-N 472.327 4.383 10 10 JICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 2297512859 HLVBOJJAFACYBP-UHFFFAOYSA-N 494.437 4.488 10 10 JICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2314769826 VVLWAKSUGBBUES-GOSISDBHSA-N 458.517 4.109 10 10 JICE CCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1809468 PYELJNLYBXVYLS-FMQUCBEESA-N 487.002 4.411 10 10 JICE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 2252998 OCNGFISUPCEGTA-UOEVCUDDSA-N 464.616 4.128 10 10 JICE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1C 59271028 DTXWDSPCTBMORJ-VWLOTQADSA-N 451.473 4.331 10 10 JICE COc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 103976821 GSESWXDXTBILJW-JWGURIENSA-N 459.527 4.365 10 10 JICE O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 226381739 REFKVHSIRLCZNS-ZNCKRENSSA-N 483.907 4.376 10 10 JICE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C3/SC(N4CCCCC4)=NC3=O)cc2OC)c1 733781357 ARRXUZBBUHEQTI-WSDLNYQXSA-N 482.558 4.388 10 10 JICE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCSc2nccs2)[C@H](C)C1 1722791287 QWKSYMKRSGSPBB-MRXNPFEDSA-N 491.086 4.218 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5ccccc5F)cc4n3)CC2)cc1 1858147334 GGYRHUJDXPLTFY-UHFFFAOYSA-N 471.536 4.384 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016615 UFPSYIHODRSTMQ-QFIPXVFZSA-N 488.588 4.422 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027743 KIEBYCKAGHBKTO-RCDICMHDSA-N 494.979 4.198 10 10 JICE CCOc1ccc(C(=O)N[C@H](CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537771 NFLFFABZLGIELG-FTJBHMTQSA-N 480.653 4.003 10 10 JICE CCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766188 FMTOJECXJDQFMY-UHFFFAOYSA-N 461.606 4.477 10 10 JICE COCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165770 USAORDVTJWYDBB-UHFFFAOYSA-N 473.573 4.009 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170025 LSBKWHVINQXIIT-MHECFPHRSA-N 471.605 4.308 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419581 LJFRZXQSRZFCFZ-JOCHJYFZSA-N 481.556 4.341 10 10 JICE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079031411 LCXYSIOUXVIWQR-INIZCTEOSA-N 467.351 4.288 10 10 JICE CCOC(=O)[C@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945327 UTHUOIDLLKQEDS-INIZCTEOSA-N 460.577 4.222 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2533228 FMPMESLLBFQOQW-QZQOTICOSA-N 465.600 4.270 10 10 JICE CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20235974 RYVJNMNJSCYSKP-PPTQLFOTSA-N 461.518 4.474 10 10 JICE N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccccc3F)=NN12 32964285 XPRDAOZIHHMMTF-HGPWHKJCSA-N 460.450 4.192 10 10 JICE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 40937868 AWDZIBXLMKVGSM-DEDYPNTBSA-N 457.573 4.347 10 10 JICE Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 59074292 BDMUFAPWLFUIES-RUZDIDTESA-N 463.603 4.297 10 10 JICE COc1cccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3cc(Br)ccc3O)C2)c1 65298129 UVKJLLXKQCFEBV-OAQYLSRUSA-N 472.383 4.026 10 10 JICE biogenic COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 110454987 NWJLXYKAYZWAEE-LTGZKZEYSA-N 462.531 4.215 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)CC2)cc1 742947446 GAANYWZESGWGKW-DEOSSOPVSA-N 468.598 4.107 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccccc2Br)SC1=S 1858592257 KOVHPGGPUXSITJ-BMANGOCTSA-N 464.362 4.052 10 10 JICE CCOc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860589578 QSQDZEIZDONZEY-UHFFFAOYSA-N 496.563 4.281 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867963778 GUHRVRJYJFEQBU-UHFFFAOYSA-N 475.637 4.386 10 10 JICE COCCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420374 MQMQWNWAFOTXMN-UHFFFAOYSA-N 489.572 4.340 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(C)cc3)CC2)cc1 1874643117 SMDRWMWWVGWUDR-MUUNZHRXSA-N 496.611 4.175 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccccc4)c3)CC2)cc1 1874731004 PVMRFZSNYVUCSU-UHFFFAOYSA-N 458.558 4.238 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2053467610 FJRYFEYJEOSABJ-UHFFFAOYSA-N 470.572 4.102 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@]4(CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2106804251 ZHBRCOCAMWQQKZ-VWLOTQADSA-N 458.603 4.152 10 10 JICE O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 2297341382 YSQXLZZHLYWRHZ-UHFFFAOYSA-N 493.313 4.400 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(C)(=O)=O 2297350446 JCSPEBZACUEIMG-UHFFFAOYSA-N 455.966 4.093 10 10 JICE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836651 HZOPCEQTHHQTLH-GFCCVEGCSA-N 452.517 4.305 10 10 JICE C[C@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314836828 KTNCLWOIMJGNFF-CQSZACIVSA-N 464.568 4.174 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1 1206688 XFZOUNXSAPPKSD-OQLLNIDSSA-N 475.295 4.372 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)c4cccs4)n3)CC2)cc1 13654011 SEYSWZJKPZBYIN-UHFFFAOYSA-N 473.645 4.080 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 1084288427 MKIKEIFCAKNFKR-HMAPJEAMSA-N 475.476 4.076 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(ccc4cccnc43)c2=O)N2CCCCC2)cc1 1866431221 SDKRQMXODZCLFY-XMMPIXPASA-N 469.589 4.099 10 10 JICE Cc1cc(Br)cc2c(O)cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)nc12 1866546744 RUSACEMVQNGXFI-JOCHJYFZSA-N 494.393 4.330 10 10 JICE CN(C)CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870868360 HBBOIRSZRVJJDA-UHFFFAOYSA-N 492.620 4.486 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1OC 1873169119 ZYEDFGCEVLHTQR-UHFFFAOYSA-N 473.573 4.389 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873170494 BTANNJSPVINXLQ-DFBJGRDBSA-N 474.649 4.437 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)c(C)c3)n4C)CC2)cc1 1873650527 NXMYLNKEFLDGSF-UHFFFAOYSA-N 470.577 4.173 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc(O)c(O)c2)CC1 1952078617 AYVRAUIIDQBBSV-UHFFFAOYSA-N 459.498 4.465 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079999095 UUKYMVGDPDQFEX-SFHVURJKSA-N 465.335 4.176 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(F)F 2163164618 IJGUMYUKOGSNNL-IBGZPJMESA-N 482.572 4.301 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)cc1 2293692837 LIQHPWPJJFQZAM-UHFFFAOYSA-N 471.513 4.330 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC 2297336949 VNBJYCGVTWDEEF-UHFFFAOYSA-N 472.497 4.258 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1 2297347747 YRIORXPFLKHXQO-UHFFFAOYSA-N 468.307 4.487 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCCC(=O)O 2314934828 KOTRJNRAOSAQBZ-UHFFFAOYSA-N 486.571 4.303 10 10 JICE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380761230 DPYZSIQMCKTAAL-CQSZACIVSA-N 461.422 4.068 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639572 DAUSAVXFFABPLT-ISJBWFOZSA-N 462.571 4.445 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCc1ccccc1 15038968 QJRFVMGZYIVBNG-ATVHPVEESA-N 461.406 4.357 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)CC1 20356718 XGLLGTWFCCHTOG-OLOAGALHSA-N 464.507 4.163 10 10 JICE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 101533871 DQGPGSSOWNFRIB-LPVLJJHXSA-N 474.292 4.047 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)N[C@@H]4C[C@H]5CC[C@H]4C5)c4ccccc4n3)CC2)cc1 1614157138 OVMUQDPHWLLDNR-CUVVAGTFSA-N 456.590 4.488 10 10 JICE CC(C)(C)OC(=O)NCCCC[C@@H](NCc1cc(Cl)cc(Br)c1O)C(=O)O 2289786900 PDTWNXOXRMORRM-CQSZACIVSA-N 465.772 4.046 10 10 JICE O=C1SC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 2293829936 BLRZTROVNKGRKR-UHFFFAOYSA-N 459.911 4.321 10 10 JICE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)c1 2294093735 KDLAYABYVUQDOW-UHFFFAOYSA-N 480.318 4.305 10 10 JICE COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2295832683 JOMSBAFWLQFUIX-UHFFFAOYSA-N 494.642 4.161 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296538183 DPYIRVGCJZPBCT-UHFFFAOYSA-N 471.991 4.307 10 10 JICE COCCN1C(=O)C(=Cc2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296710590 AJLAIACWSGKSSQ-MRXNPFEDSA-N 480.615 4.024 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297511169 GAINBVXCMRKCDX-UHFFFAOYSA-N 496.980 4.266 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Br)ccc2O)[C@H]2CC=C[C@H]32)CC1 14461082 LJBBJQZNXOFFKN-QSAZIKIQSA-N 468.395 4.369 10 10 JICE COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 27572601 XNMAMNFKEDNZPI-ZQFCNSAKSA-N 465.531 4.329 10 10 JICE CC(C)(C)OC(=O)NC[C@H](NCc1cccc(Br)c1O)C(F)(F)C(F)(F)F 722713387 PVIVQVWBRRQTLA-NSHDSACASA-N 463.241 4.335 10 10 JICE CCC[C@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862207720 LSEXQSLHOKHQQP-VWLOTQADSA-N 481.637 4.105 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 1868164121 CXXGIJOACSKONO-UHFFFAOYSA-N 494.956 4.298 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC[C@H](C)C3)n4CC(C)C)CC2)cc1 1873550890 QPNRALGOLBUFJJ-NRFANRHFSA-N 490.652 4.295 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 2294199358 WOCCUTZRSLOYMS-UHFFFAOYSA-N 464.474 4.094 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2296756170 FYJJSJPXJURETO-UHFFFAOYSA-N 463.924 4.184 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2297050173 NNJKUHSCYCCMPK-UHFFFAOYSA-N 463.446 4.358 10 10 JICE O=C1NC(=Cc2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccccc1F 2297602836 BLMZCXBEPOAFCX-UHFFFAOYSA-N 474.517 4.462 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)c2C)cc1 14370906 PLLACGPDVHYTCU-SANMLTNESA-N 463.509 4.282 10 10 JICE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)cc1 28934128 DUXWOUSSUPYMHS-NVNXTCNLSA-N 451.367 4.142 10 10 JICE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 33780696 XZOOUMJAVRSLLD-OBGWFSINSA-N 474.652 4.233 10 10 JICE CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 103648956 BESDDFPQGMHOAO-DEDYPNTBSA-N 457.573 4.429 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1614976246 BIBKGTCWMUHVDB-CVEARBPZSA-N 450.457 4.366 10 10 JICE O=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2nc(O)oc2c1 1859478365 RCGYSAULSYCHKO-UHFFFAOYSA-N 452.311 4.220 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 1860345233 WCAAURWUVGIWGI-UHFFFAOYSA-N 492.535 4.374 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(OCC)cc1 1860645754 GLQVSGUHTNKXRK-GOSISDBHSA-N 458.580 4.496 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860760651 BQZKERDTRDRHGP-UHFFFAOYSA-N 466.559 4.390 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2OCC)sc(C)c1-c1ccc(F)cc1 1860768081 VELYRUIKNPLIEH-UHFFFAOYSA-N 471.510 4.410 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865033244 VJHQIKBIPPTBSY-HSZRJFAPSA-N 488.588 4.332 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868480972 IRDUWYAARTYOPJ-QHCPKHFHSA-N 477.524 4.277 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccco4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970361 OHHUQWSIIAMQBH-BUHFOSPRSA-N 484.560 4.156 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCC3)ncnc21 1873553195 LVHQNCPEIQOROL-UHFFFAOYSA-N 476.625 4.193 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(N)c2I)c(O)c1 2080042960 NTDBCFFSVFVWEI-SFHVURJKSA-N 453.324 4.441 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc(N)c2C1 2168776808 CACZAVZXSMWICH-ROUUACIJSA-N 472.630 4.255 10 10 JICE CC(C)Cc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)s1 2296756153 CTYSCAXRKKXJRN-UHFFFAOYSA-N 452.652 4.418 10 10 JICE Cc1ccccc1OCCn1cccc1C=C1C(=N)N2N=C(N3CCC(C)CC3)SC2=NC1=O 2297499585 OEDUNWYAMHAEED-UHFFFAOYSA-N 476.606 4.184 10 10 JICE CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2313560988 OLKNGJNGXDOGOC-UHFFFAOYSA-N 494.139 4.277 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(CC)c3ccccc32)SC1=S 2314768368 KSUVRWAIMBPYFV-IBGZPJMESA-N 466.584 4.319 10 10 JICE O=C(c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21)N1CCOCC1 14461034 IXXNHMYMMNQSPZ-ZWWNWMABSA-N 455.352 4.454 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 15045135 UIODBTKCPLAULJ-VBKFSLOCSA-N 493.632 4.266 10 10 JICE CC[C@@](C)(NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862142774 BBJFQEIRWCXXKJ-GVUSLMEPSA-N 463.622 4.466 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3F)CC2)n1 1867977142 XPQYZEQNQSTBSC-UHFFFAOYSA-N 490.627 4.230 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CC(C)C)C2=O)cc1 1873168380 SSNJTAQGTNZDJU-UHFFFAOYSA-N 471.557 4.349 10 10 JICE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)ccc3[nH]2)cc1 1873506687 OURSNVSLYFYZEY-UHFFFAOYSA-N 463.582 4.425 10 10 JICE CSCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179382 BCVPJQKERDOMSE-QFIPXVFZSA-N 470.550 4.178 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]4C3)ccc(N)c2C1 2168776807 CACZAVZXSMWICH-QZTJIDSGSA-N 472.630 4.255 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296848681 UAHVAYUHFONARG-QGZVFWFLSA-N 479.583 4.175 10 10 JICE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4cccc5ccccc45)cc3)C(=O)N=C2S1 2297345993 UUKOCJVDRLICMU-UHFFFAOYSA-N 490.566 4.040 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 2297347543 GGKSTFXIFKDAMG-UHFFFAOYSA-N 496.317 4.436 10 10 JICE C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=S)cc1)C(=O)O 2313610144 SIUJHRGAGDUHKC-SNVBAGLBSA-N 465.314 4.313 10 10 JICE COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1O 1216613 ARNZNERPQYSFSL-NTUHNPAUSA-N 496.155 4.004 10 10 JICE O=C(O)CCCNC(=O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15036793 JEHPQFOPCOOHAI-MOSHPQCFSA-N 464.568 4.175 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)CC2)cc1 15681510 QZQXHKSUVUPXFI-UHFFFAOYSA-N 455.562 4.251 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)c1 33337539 WCNCRSDYOFSSTK-UDWIEESQSA-N 496.566 4.476 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 33691578 FEVVRGVOIYHVFF-WDSAVLBFSA-N 462.384 4.226 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 54311013 MEHMWPCHNAOSDZ-JOCHJYFZSA-N 479.042 4.089 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104864180 LMLVQVOIYWXYFS-FDFHNCONSA-N 489.886 4.483 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 504485024 DLFULURRXRHXMS-QPPCPWFDSA-N 482.511 4.397 10 10 JICE biogenic CN1C(=O)COc2cc(N3C(=O)/C(=C\c4ccccc4C(F)(F)F)SC3=S)ccc21 1860087594 IXBVXXOASUVHNX-LZYBPNLTSA-N 450.463 4.466 10 10 JICE CCc1sc(NC(=O)C(=O)N[C@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764109 ZRSVFSXNZGTIMC-LLVKDONJSA-N 467.385 4.380 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031614 KWEKWWPKKGVBTQ-JOCHJYFZSA-N 488.588 4.324 10 10 JICE Cc1[nH]nc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-c1ccccc1 1867274932 COMQKUXJOBXYOU-UHFFFAOYSA-N 492.535 4.308 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867866 HJXOMAOUVXUOEF-HSZRJFAPSA-N 470.013 4.086 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871669699 MBEPAJCDGLLNCE-UHFFFAOYSA-N 495.631 4.023 10 10 JICE Cc1ccc(O)c(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873878649 ZIRAOOVVXOOLMM-MHZLTWQESA-N 466.541 4.441 10 10 JICE CC(C)OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296559590 VWFLZDYHOSDOSK-UHFFFAOYSA-N 472.636 4.065 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2296943325 JRTHVZVHXGQWIM-UHFFFAOYSA-N 485.529 4.373 10 10 JICE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 2314932589 WXUFLNSXEOUCIW-UHFFFAOYSA-N 483.354 4.003 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934366 HFQSWTAKUUQUNV-GOSISDBHSA-N 487.599 4.477 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCCN(C(=O)OC(C)(C)C)CC1 2330189154 OSWGXFYVYCKEGO-UHFFFAOYSA-N 477.606 4.262 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1C 31659111 SYEUGYIBILIERX-AREMUKBSSA-N 474.517 4.269 10 10 JICE O=C(O)COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1 33318029 TXJUBEMYOHMQKR-WQLSENKSSA-N 451.287 4.128 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33529801 CGDSTDBLYFPFKE-GHRIWEEISA-N 454.577 4.291 10 10 JICE COC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 40937862 NJHIIFOFZUTINS-HNENSFHCSA-N 472.975 4.021 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1C 59566108 RFHBBXMXCRODPW-XLNRJJMWSA-N 458.514 4.313 10 10 JICE COc1cccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC(F)F 96921025 PDUJRPDIJPHUBJ-LZYBPNLTSA-N 451.472 4.427 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1 170548749 HTXZJPBIGKNCID-UHFFFAOYSA-N 480.011 4.105 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)c1OC 526554946 DNTKBACVZWSUKM-NRFANRHFSA-N 455.413 4.450 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526611375 GDLUWHYCRQAQJR-XMMPIXPASA-N 461.470 4.375 10 10 JICE Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1857991693 HVTGOGAEOMHUPG-UHFFFAOYSA-N 452.514 4.012 10 10 JICE CCc1ccc([C@@H](c2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)N(C)C)cc1 1858130220 GEJGRHREDVOVKE-SANMLTNESA-N 478.662 4.256 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c2nccn2C)cc1 1866003749 PQABPSFFOYWQDE-XMMPIXPASA-N 454.530 4.225 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cn(C3CC3)c3cc(F)ccc3c2=O)N2CCCCC2)cc1 1866266717 KFDLTSRQZVKIKN-AREMUKBSSA-N 476.596 4.499 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981078 BIXIRBJJLHPJNZ-HXUWFJFHSA-N 494.039 4.341 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3cccs3)C2=O)cc1 1873166677 WAJQXTZKVLXTSE-OAQYLSRUSA-N 461.587 4.204 10 10 JICE CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017814 XNZGIOKOBZQUGY-NRFANRHFSA-N 495.535 4.109 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)OCC12CC2 2185701461 YKUYOJZBHJKAIX-CQSZACIVSA-N 461.784 4.066 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 2297534416 YAFJALPCFAFZCM-UHFFFAOYSA-N 497.530 4.376 10 10 JICE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314769931 XDDLUOUYQLZDJJ-MRXNPFEDSA-N 464.362 4.270 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314836206 BMDJDPDQWKKNHU-CYBMUJFWSA-N 457.533 4.222 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314837775 WNYRUHJWRXWJED-ZDUSSCGKSA-N 458.536 4.231 10 10 JICE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]21 2369080065 ALRDBRBFPVVSLF-NUEKZKHPSA-N 461.784 4.065 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15038092 SRWMQMMILVJRDL-UYRXBGFRSA-N 458.561 4.030 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)N2CCN(c3ccccc3)CC2)cc1 16914268 UXDHUOCCDDCIIF-SANMLTNESA-N 464.560 4.324 10 10 JICE COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)c1 27572610 DOTFJUWQFHPSJG-HRXHUYTNSA-N 465.531 4.329 10 10 JICE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C[C@@H]4CCCO4)C(C)=C3C(=O)OC)c2C)cc1 33248369 DTCLHNIZXDJKIS-GVFUYMABSA-N 464.562 4.344 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1 207316665 SAKHIIRRLOEEAR-OQLLNIDSSA-N 456.574 4.255 10 10 JICE CCOC(=O)c1c(/C=C\C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)n(CC)c1C 209670494 OLLUOWMGZGHYMN-YPKPFQOOSA-N 453.583 4.062 10 10 JICE CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(C)C2=O)sc(C)c1C 211913893 FVNQTHKLMJNXND-ICFOKQHNSA-N 474.629 4.467 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1084281821 RPSXEAFJSBFFSU-ZHZULCJRSA-N 491.544 4.241 10 10 JICE CCCC[C@H](NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862230350 KNYMDAYKMCUUJM-VWLOTQADSA-N 481.637 4.186 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018731 BJSKIBRPLVTKNX-OAQYLSRUSA-N 496.995 4.025 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028433 URLIQPWGBNTJOA-QHCPKHFHSA-N 476.577 4.244 10 10 JICE CCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665543 ZHXFRGOENLTMAI-CJLVFECKSA-N 483.996 4.251 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cc(F)cc(F)c3n2)N2CCCCC2)cc1 1866499552 KBQJKUSPMDZNKR-JOCHJYFZSA-N 454.521 4.242 10 10 JICE Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1867260317 XHVGPNAXKIQSGN-RUZDIDTESA-N 492.531 4.272 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868872429 OFPPJUINRHXKAL-KBMIEXCESA-N 484.040 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869971136 YWCXDTVLNQLMOU-XNTDXEJSSA-N 460.582 4.020 10 10 JICE CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017781 WFMKCRNHGAWUEB-QFIPXVFZSA-N 496.972 4.057 10 10 JICE CCCOc1cc(N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)ccc1N 2044762592 MZOLXNIIQZQWQS-UHFFFAOYSA-N 450.580 4.267 10 10 JICE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1NC(=O)OC(C)(C)C 2106881689 WCMJWDCUKIWLHX-UZLBHIALSA-N 460.619 4.302 10 10 JICE CCN1C(=O)C(=Cc2ccc(OCCOc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 2293103989 AJDPTVZPAMVKRS-UHFFFAOYSA-N 460.533 4.282 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296715403 ZKWVRPLNDMPCOC-INMHGKMJSA-N 470.664 4.485 10 10 JICE C[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314397370 GAUCXMCTBVWJAP-GFCCVEGCSA-N 476.963 4.032 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)s1 2314489117 OADJBQVQRAOJAG-UHFFFAOYSA-N 474.633 4.398 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1 2314509892 ZGSUHFJAXAHEMU-QGZVFWFLSA-N 493.610 4.484 10 10 JICE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 2314736060 RDYJEXOTAYPLNP-UHFFFAOYSA-N 457.573 4.347 10 10 JICE CCN(CCN=[N+]=[N-])C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2315993076 WJTWVCYXEIXPFM-UHFFFAOYSA-N 459.288 4.411 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20709212 ZBPLABDQTAQSKZ-PMAPCBKXSA-N 455.536 4.302 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccco2)SC1=S 208271560 RPYMNUAFZGUUPN-SGPNVBEDSA-N 456.593 4.253 10 10 JICE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 208271820 NAKLGGNCKWQLBV-YBFXNURJSA-N 468.604 4.397 10 10 JICE COc1ccc(N2CCC(NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)CC2)cc1 727604919 YIDKNLBUEOZIDV-DEOSSOPVSA-N 483.012 4.475 10 10 JICE O=C(NCC(F)(F)F)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 914581304 GUEBSMDGDBZEGR-HXUWFJFHSA-N 487.482 4.124 10 10 JICE CN(C)c1oc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 1084479121 LPKVDRFXXLEYSD-TWGQIWQCSA-N 489.178 4.246 10 10 JICE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC12CCCCC2 1540975135 UYIGKWPJZYJTLI-UHFFFAOYSA-N 466.674 4.370 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=S)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21 1858607439 KYMSJFLPHIWEHS-UHFFFAOYSA-N 491.377 4.444 10 10 JICE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1ccc(Br)cc1 1858688203 UZZQJIXNSGZFNL-CYBMUJFWSA-N 471.311 4.443 10 10 JICE CCCc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860250288 RPHJCFFQEQVSAH-UHFFFAOYSA-N 470.953 4.135 10 10 JICE C[C@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)C1 1860347273 HABDIEJXCCTINP-PPHZAIPVSA-N 456.590 4.437 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2cccs2)n1 1860549941 FZDLMUIAPLLPPI-UHFFFAOYSA-N 453.479 4.423 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865029350 LFGNMFINKIVXSV-JOCHJYFZSA-N 470.614 4.382 10 10 JICE CC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696767 VUPQIHZXCXWQOP-FTJBHMTQSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868838956 JJXDGQGRFCPPAI-RLWLMLJZSA-N 465.638 4.412 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4ccccc4)c3)CC2)cc1 1874732726 KMJYXHPSVJWDPD-UHFFFAOYSA-N 474.557 4.075 10 10 JICE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(F)cc1O 2084902414 CHVOQQJWNGUPPC-OAHLLOKOSA-N 455.571 4.380 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 2294204779 AGLZOVHTPXMAIP-UHFFFAOYSA-N 496.386 4.470 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 2297333789 RWZDRTIPYDUJRM-UHFFFAOYSA-N 468.560 4.093 10 10 JICE Cc1nn(C)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 2313548488 WDUYYPKIXHGVCH-UHFFFAOYSA-N 473.577 4.084 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(C)=O 2314926838 UALSCWNRNMBTNT-MOPGFXCFSA-N 469.584 4.330 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C(C)=Cc3ccccc3)c3ccccc3)CC2)cc1 2330077218 FGQPXVCZJTVTII-MHZLTWQESA-N 469.585 4.305 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4sc(NC(=O)c5ccccc5)nc43)CC2)cc1 8979380 UCFAMEAGDWPPTM-OAQYLSRUSA-N 476.602 4.173 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 13644920 QPROIBKTPDKKGT-FGJSELGCSA-N 453.608 4.036 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 15039513 ZGSOFXCGFOFTRS-UYRXBGFRSA-N 460.552 4.463 10 10 JICE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066846 NJWHUWJHGQVOGE-ODLFYWEKSA-N 470.595 4.411 10 10 JICE Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 207337714 WYZURRWSQYUGKJ-TWGQIWQCSA-N 476.489 4.237 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccccc3)C2=O)cc1 1873167438 HKHXSRCHGHWSKE-UHFFFAOYSA-N 470.617 4.306 10 10 JICE CCCCOCCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873887052 KAHUCULMODIHPG-UHFFFAOYSA-N 472.589 4.287 10 10 JICE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 2040582396 LMLIRURZCJOQHA-UHFFFAOYSA-N 485.613 4.324 10 10 JICE COc1ccc([C@H](n2nc(C(C)(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2079856766 WFFASDVYKCRKSY-INIZCTEOSA-N 455.340 4.471 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079998188 NMEFEXFTPHZACE-MRXNPFEDSA-N 470.307 4.413 10 10 JICE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106880416 JCWFHROTMUVRSL-IRXDYDNUSA-N 460.619 4.302 10 10 JICE COc1cc(C=C2C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)cc(OC)c1OC 2297500093 JEZFIYCCIVFVOV-UHFFFAOYSA-N 498.586 4.101 10 10 JICE Cc1ccc(CN[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381138049 LOURFPKYRGJGCB-QGZVFWFLSA-N 453.299 4.495 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)C)cc4)n3)cc21 11857565 PNJXCUDHDMEFSW-UHFFFAOYSA-N 457.577 4.480 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 33474602 TZMXUALAGJGKRM-XDJHFCHBSA-N 488.679 4.257 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1cc2cc(F)ccc2[nH]1 103040697 ZWXHLRFHQFACSO-DEDYPNTBSA-N 471.554 4.396 10 10 JICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 213161073 AEGZCILILDBEPG-WQRHYEAKSA-N 495.582 4.204 10 10 JICE Oc1c(Br)cc(Cl)cc1[C@H]1NCCc2nc3ccc(Br)cn3c21 821240979 BCWWFHSRULNIDG-CQSZACIVSA-N 457.553 4.453 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(c2ccc(F)cc2)CC1 914046341 DRMCOEJSZISCAW-XDJHFCHBSA-N 475.636 4.217 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccc(C)cc1 1860760829 DXWADQCEPYFZGL-UHFFFAOYSA-N 471.623 4.182 10 10 JICE CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862119512 OURRJYHEHXGLMW-AREMUKBSSA-N 457.574 4.219 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862142818 CAHDMLAGALOWGC-FQCFFEASSA-N 479.646 4.082 10 10 JICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1864012338 XXHWGMLDRFACSD-DEOSSOPVSA-N 488.588 4.021 10 10 JICE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2Cl)n1 1867977720 ASZNKBBIGIKVBV-UHFFFAOYSA-N 496.011 4.132 10 10 JICE CCN(CC)CCN1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163982 GOJAQJPYKHFQSD-UHFFFAOYSA-N 476.646 4.367 10 10 JICE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892118829 WGUQIMHLIQQFPC-URXFXBBRSA-N 469.651 4.416 10 10 JICE CN(C)Cc1cc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1951703568 RVVKZEXVAXTAJO-VWLOTQADSA-N 474.557 4.378 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079875859 AHRROKLOLNXLFG-AWEZNQCLSA-N 450.223 4.197 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080022210 GZWGSPDKBCYVCW-KRWDZBQOSA-N 468.291 4.167 10 10 JICE COc1ccc(Br)c(CNC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c1O 2227752060 SXPNDSPHANYONS-JOXBDYEASA-N 461.356 4.100 10 10 JICE N=C1C(=Cc2cc(Br)ccc2O)C(=O)N=C2SC(c3ccccc3Cl)=NN12 2293370091 ROMVIZCXIJQYAQ-UHFFFAOYSA-N 461.728 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(F)cc4)n(-c4ccccc4)n3)CC2)cc1 2331394380 ACVNFGQERVRZEP-UHFFFAOYSA-N 498.562 4.394 10 10 JICE Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)c(C)c1 11857574 LOYAWWUJEHBNIQ-UHFFFAOYSA-N 457.577 4.200 10 10 JICE CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4C(SCC)=NSC4=NC3=O)o2)c1 20154854 SQPSGHMWVFCOTF-OTLVRQKTSA-N 454.533 4.453 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 38619254 MGPUHXGJWLXGPS-VWLOTQADSA-N 483.634 4.253 10 10 JICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990323 RNJVYITXPSWGTN-UYRXBGFRSA-N 458.653 4.428 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)C3(c4cccs4)CC3)c3ccco3)CC2)cc1 49486506 RYABWVZDZMHDHC-NRFANRHFSA-N 451.592 4.061 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)C3(c4cccs4)CC3)c3ccco3)CC2)cc1 49486509 RYABWVZDZMHDHC-OAQYLSRUSA-N 451.592 4.061 10 10 JICE Cc1cc(C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)c(C)n1-c1ccccn1 109576194 WVVJAJGCHLMPIK-UHFFFAOYSA-N 451.328 4.144 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 526498458 DNGYUGAXLWYFIH-VWLOTQADSA-N 474.513 4.000 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(C)n1-c1ccccc1 727611635 VKQIVAMUKHIGIA-UHFFFAOYSA-N 461.953 4.231 10 10 JICE CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1301686226 JFYIBAFVWVHFFB-QHCPKHFHSA-N 466.674 4.362 10 10 JICE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(C)C)N1CCOCC1 1705835350 HZGPFTMYVSJUGS-VWLOTQADSA-N 462.642 4.332 10 10 JICE CCc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858227101 UTUSZBNUAMEYPR-UHFFFAOYSA-N 483.572 4.120 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2ccccc2F)c1 1861855616 NCTNDZFQLWAXRV-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007496 OCVRDEBTAMGXTO-NRFANRHFSA-N 482.968 4.246 10 10 JICE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865768669 VYNHGSGTOSEQMG-UHFFFAOYSA-N 462.618 4.343 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H](N)CCCCN)sc(C)c1-c1ccc(Br)cc1 1865999680 UIWJMAYSGVSZNP-OAHLLOKOSA-N 468.417 4.058 10 10 JICE COc1ccc(Cl)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866451495 UNTXSOGJUBBIFC-NRFANRHFSA-N 483.012 4.213 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccccc4C)n3)CC2)cc1 1869139511 JPBRMXHWSRXLOB-UHFFFAOYSA-N 473.621 4.402 10 10 JICE CCOC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871145370 NFCOQAVNLWIZSP-XMMPIXPASA-N 477.561 4.325 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(/C=C/[N+](=O)[O-])cc4)c3)CC2)cc1 1872846695 NVXJUZFZRDGEBV-BUHFOSPRSA-N 473.529 4.484 10 10 JICE COc1cc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc(O)c1O 1951857488 SSQATKWAMYXQSG-RTWAWAEBSA-N 475.497 4.156 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c1 2294235382 IXZPWPLEZVWSAX-UHFFFAOYSA-N 466.902 4.438 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1cccc1C=C1C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 2297346649 CZTQIITVUHTTTP-UHFFFAOYSA-N 480.864 4.022 10 10 JICE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 2297357787 KWLZOFCDIHTAIK-UHFFFAOYSA-N 465.531 4.247 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141450 WGQFOQUXAPGCJF-UHFFFAOYSA-N 471.469 4.205 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C1(NC(=O)OC(C)(C)C)CCCC1 2341289835 RMVXQUTWLRIRSU-HXUWFJFHSA-N 462.635 4.312 10 10 JICE O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S 2844751 WCRYAVDWVTWKPY-PXNMLYILSA-N 482.352 4.453 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4cc(-c5cccc(F)c5)nn4c3C)CC2)cc1 8598513 UUPNRRYCYKJTCB-UHFFFAOYSA-N 487.579 4.442 10 10 JICE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1C 20356565 LNIDUFQNXMWLTP-INYGCOGDSA-N 476.606 4.247 10 10 JICE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33489179 NUIUSQRHYOYFHX-CPNJWEJPSA-N 464.616 4.267 10 10 JICE O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N(Cc1ccco1)Cc1ccccc1O 731402042 UDZRXCLQJWPYKB-OAQYLSRUSA-N 470.547 4.172 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OC)cc1OC 1084381275 QXHJEPHUWFXPQP-VCHYOVAHSA-N 458.308 4.344 10 10 JICE Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)/C=C/O)C1 1848436861 IUFFZAHCDBBAET-QIXNEVBVSA-N 456.506 4.103 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1861944747 BDXRJBWBXUISJN-GDLZYMKVSA-N 485.628 4.451 10 10 JICE CC[C@H](NC(=O)CCCOc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862224322 PPYFCDOJCIFBEW-MHZLTWQESA-N 489.616 4.251 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015905 GGWOSPRWNHTUPC-OAQYLSRUSA-N 476.577 4.228 10 10 JICE CCCC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571331 OHSICXOKSIEGNH-OAQYLSRUSA-N 489.597 4.392 10 10 JICE CCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867674260 ZAUMIZDRANOZEL-VPUSJEBWSA-N 489.664 4.476 10 10 JICE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826458 YICFKXCFMSODSJ-FTJBHMTQSA-N 496.721 4.256 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868662388 JARHFTWBBHOIER-WBLMUGCASA-N 463.622 4.295 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873166282 JXXPXBYSHGRCLE-QHCPKHFHSA-N 473.548 4.282 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cccc21 1874017742 UVNRSEMSRHBMBK-CQSZACIVSA-N 478.426 4.472 10 10 JICE CCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CCOC)C2=O)cc1)C(Cl)(Cl)Cl 2296727647 USGFTCPTJQZNFM-MRXNPFEDSA-N 497.853 4.136 10 10 JICE CC(C)Oc1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 2296732978 IJXNXRXZUZXVST-UHFFFAOYSA-N 452.536 4.175 10 10 JICE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297328888 YUABKYXKXRHVHS-UHFFFAOYSA-N 456.292 4.051 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(F)cc1 2313549271 RLTXLIUGVYITIT-UHFFFAOYSA-N 460.461 4.388 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314755210 YQDUXEYNCREEOL-UHFFFAOYSA-N 488.425 4.488 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 13638740 CHUYJGCQJNFOKE-CNNODRBYSA-N 475.408 4.297 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 39835618 FCLCTKJHPVTPBG-XDJHFCHBSA-N 481.599 4.423 10 10 JICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864009382 GKBGDTYFKRTHCT-DEOSSOPVSA-N 490.604 4.092 10 10 JICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864023533 ZZFZLOUKMBBGDE-QGZVFWFLSA-N 494.514 4.257 10 10 JICE COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(Oc5ccccc5)cc4c3=O)CC2)cc1 1866450559 HLBGXXVCORSXTL-UHFFFAOYSA-N 455.514 4.291 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868837730 BXEJJCNBDKEMQF-SANMLTNESA-N 451.611 4.023 10 10 JICE Cc1cc(N2CCOCC2)ccc1C=C1SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 2293999173 ZCSDDPYIJBZRRO-UHFFFAOYSA-N 465.575 4.123 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c(OC)c1 2296013980 KVUQLNKZTRTFEY-UHFFFAOYSA-N 479.377 4.013 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1nccs1 2431228 TUMIXMIHYLNIEH-OQLLNIDSSA-N 454.305 4.469 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1Cl 20236787 IAKHFXXEXWPVPY-AZPPRZRYSA-N 453.882 4.257 10 10 JICE COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c([N+](=O)[O-])c1 33406174 WQFDRCTYWYCEOH-MFOYZWKCSA-N 460.489 4.013 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 95927175 HQEMEWJPCZLIDI-WQRHYEAKSA-N 459.980 4.365 10 10 JICE O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 1081156950 YOMNDWYXOTZKDL-QOSQHLEFSA-N 475.598 4.499 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc5c(c4)CCCC5)cn3)CC2)cc1 1858429212 JARMKNWNDNMPIN-UHFFFAOYSA-N 478.618 4.096 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861923963 UDQADUSMAZBIKR-RUZDIDTESA-N 495.982 4.178 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864011092 ZEUAYSBKNYENCF-LAUBAEHRSA-N 456.587 4.182 10 10 JICE O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866060691 WJGANJRGRJPMFY-IBGZPJMESA-N 466.415 4.210 10 10 JICE CC[C@](C)(NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316410 GNIBQBQUOABQCQ-NAKRPHOHSA-N 480.653 4.003 10 10 JICE COCCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420913 ZBHKRNZNDIXTPN-UHFFFAOYSA-N 489.572 4.340 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421322 RILLAZHVZXWPSC-UHFFFAOYSA-N 485.632 4.304 10 10 JICE Cc1ccc([C@@H](n2nc(C3CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2078998384 FOCQAWGCUFFPGS-MRXNPFEDSA-N 453.324 4.114 10 10 JICE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 2199842357 LJHGJRVDPREIJP-IBGZPJMESA-N 463.800 4.171 10 10 JICE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S 2294208491 JOKBIWIGEXUDJN-UHFFFAOYSA-N 450.951 4.282 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl 2296103109 PTNCYVROXQDRGT-UHFFFAOYSA-N 451.822 4.483 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)C2=O)cc1 2313549217 QDZQDYWMZLNFAG-UHFFFAOYSA-N 494.887 4.452 10 10 JICE CCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 2314754164 MGCMLRMUAKUGGJ-UHFFFAOYSA-N 483.409 4.032 10 10 JICE CCn1ncc(I)c1NCc1cc(Cl)cc(Br)c1O 2353669118 CLPVMLCTWBRFAX-UHFFFAOYSA-N 456.509 4.241 10 10 JICE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 20356368 VUPBCOMVYYFNDZ-BVDVPRQSSA-N 482.997 4.429 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)on4)sc3C)CC2)cc1 33299288 ZLAATELMSQSDOM-UHFFFAOYSA-N 487.525 4.250 10 10 JICE CCOc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(F)cc4)C(=O)N=C3S2)cc1OCC 33559765 TZFRBFHVPPKWQF-KUYAPCGNSA-N 452.511 4.485 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152184 GPFTZNBTLJZYFE-AQTBWJFISA-N 485.543 4.002 10 10 JICE CN1C(=O)C(=C2C=C(/C=C\c3cc4c5c(c3)CCCN5CCC4)CC(C)(C)C2)C(=O)N(C)C1=O 1082888871 JCDNICVTUPZURX-KTKRTIGZSA-N 459.590 4.492 10 10 JICE O=C1/C(=C\c2ccc(-c3cccc(OC(F)(F)F)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088687471 VQMYUXKADRREEP-RGZVIEDOSA-N 489.518 4.234 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc4c(c3)CCC4)sc2CCC(=O)O)cc1 1858034751 FOJUDKBNVLGUAB-UHFFFAOYSA-N 458.561 4.125 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccs2)c(CCC(=O)O)s1 1858070254 KLXCPIYQAZBDQF-UHFFFAOYSA-N 458.970 4.352 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1 1858148092 UXSJDSOUSFRIMP-UHFFFAOYSA-N 470.367 4.312 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864012278 WSDWWXPAWUWOHX-HSZRJFAPSA-N 494.567 4.181 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034619 ANWRGOLDTOTFBO-OAQYLSRUSA-N 496.995 4.121 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868611565 AAQSYWODVHJRPP-AREMUKBSSA-N 474.605 4.123 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)N(c5ccccc5)[C@H](C)C4)nc(C)n3)CC2)cc1 1869294187 RWSCZZMXNPVJOB-SZPZYZBQSA-N 472.637 4.224 10 10 JICE COCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871026206 OTLOGYCJHIDXRP-UHFFFAOYSA-N 492.605 4.084 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccncc3)ncnc21 1875213220 WPPSMQNSPAJLCX-UHFFFAOYSA-N 499.619 4.210 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079980465 DVTHIKXSFDTDAS-GOSISDBHSA-N 466.319 4.474 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2198094214 YDPKQWCOWHXDPB-WGDIFIGCSA-N 472.630 4.446 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2296835667 MVRUWJIMYXOZGV-LLVKDONJSA-N 472.327 4.383 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2296885162 GOMSIFLCFBCUGX-UHFFFAOYSA-N 456.545 4.044 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348131 KOVXLAOYDLSGHT-UHFFFAOYSA-N 461.430 4.228 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330408360 ZVWQYVZZZSKBKW-AREMUKBSSA-N 461.606 4.172 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(F)c4)n(C(C)(C)C)n3)CC2)cc1 2331396555 NYMXZXNFVAEYFB-UHFFFAOYSA-N 478.572 4.159 10 10 JICE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 35127587 VPMVKNZKAQPGJE-ORMOWBNMSA-N 494.667 4.210 10 10 JICE COC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40928048 SMAPKCDYRLNEMQ-PTNGSMBKSA-N 488.425 4.401 10 10 JICE COc1ccc2c(CCNC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)c[nH]c2c1 102429397 RTUJXJSKMFOWGO-XDHOZWIPSA-N 471.629 4.188 10 10 JICE COc1ccccc1C(=O)Nc1cccc(N2CCC(NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CC2)c1 102711387 MUTRIUYMIJCDFH-DZGIEKEQSA-N 475.633 4.446 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526468362 GVLTXELJVUASOL-QHCPKHFHSA-N 461.470 4.340 10 10 JICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008462 KSGOIQDUJCIPLN-RUZDIDTESA-N 496.567 4.220 10 10 JICE Cc1ccc(-n2nc(C)c3cc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cnc32)cc1 1866253707 XGDIMROAOFOECH-VWLOTQADSA-N 479.588 4.356 10 10 JICE CC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996876 ARUZEPVXUTYYPR-MBSDFSHPSA-N 458.002 4.086 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(CCN(C)C)C2=O)cc1 1873166157 FCEBQMFTHWIXDT-UHFFFAOYSA-N 477.008 4.179 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080004905 BAJYQSFFXBNWQR-KRWDZBQOSA-N 482.318 4.255 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC4(CCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2106707368 YDFWSGMKXRYZIP-UHFFFAOYSA-N 458.603 4.009 10 10 JICE COc1ccc(Br)c(CN[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1O 2227748285 MLMUVLOPJOQLPA-INIZCTEOSA-N 477.277 4.110 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)C(=O)NC2=S)cc1 2297328761 XSGPFOTUHUFZHL-UHFFFAOYSA-N 481.755 4.038 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1O 2297342040 LYQWQOBBGRPLSE-UHFFFAOYSA-N 479.714 4.182 10 10 JICE N=C1C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352552 AJCBALQYSYCLOZ-UHFFFAOYSA-N 487.994 4.134 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)SC1=S 2326951786 AOJVZDRGRHIEBS-UHFFFAOYSA-N 480.567 4.454 10 10 JICE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15038572 DASXZZBBXJETBD-CYVLTUHYSA-N 470.572 4.051 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 15039922 TVOHJQOKLUDKED-HKWRFOASSA-N 484.599 4.492 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)ccc1OCC(=O)O 33455867 VFISXAQMGTXRTA-NTUHNPAUSA-N 479.272 4.362 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 95535908 CCAAUFMIRGHUDN-XMHGGMMESA-N 494.931 4.276 10 10 JICE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 102893898 TXLGTVIFUUVLOC-XDHOZWIPSA-N 471.560 4.483 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 214756591 VQLSTGKJHNWRNA-QGOAFFKASA-N 457.533 4.224 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C(=O)OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526353620 DMZPDTGKTBUZKL-HSZRJFAPSA-N 491.496 4.349 10 10 JICE CC(C)(C)OC(=O)N1CCC(OCCNCc2cc(Cl)cc(Br)c2O)CC1 708111530 TWZNEYWLUMBNLU-UHFFFAOYSA-N 463.800 4.314 10 10 JICE C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N2CCOCC2)cc1 726707877 GRBBHZGMKWAXQS-NQIIRXRSSA-N 479.556 4.363 10 10 JICE COC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347293 IGYKZTZTIODONW-HHHXNRCGSA-N 494.551 4.214 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030159 DQDXDKLFPNVWNF-OAQYLSRUSA-N 468.598 4.143 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869285047 LCBFQAGHQGFCHA-LJQANCHMSA-N 499.594 4.465 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873164623 KEVJYWNGTVSRFO-UHFFFAOYSA-N 457.530 4.103 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873167082 RBVUZFRFONAHLW-QHCPKHFHSA-N 473.548 4.282 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873170323 VLPNUBAOFFFHBG-UHFFFAOYSA-N 477.630 4.494 10 10 JICE Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 2294092650 GJBHAEUAVZSQQT-UHFFFAOYSA-N 483.524 4.296 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)cc(OC)c1OC 2296881520 MHBHXLCCNVTNMD-UHFFFAOYSA-N 476.551 4.082 10 10 JICE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNCCNC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C 2297511446 LRXWUSLJSBSVCJ-UHFFFAOYSA-N 484.604 4.012 10 10 JICE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 2314414463 ZSRLUUKTFVRXGU-MRXNPFEDSA-N 494.617 4.471 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468775 HWJWYFDNCCGFGB-UVPKRVSESA-N 462.546 4.356 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 14470813 QXWUDBBJACCLDB-STSQHVNTSA-N 488.997 4.011 10 10 JICE CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54310840 VWQMHTSSQDLVON-FZNBYNMYSA-N 461.027 4.415 10 10 JICE Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 210659233 VBQIWHBQBWHZDV-CPNJWEJPSA-N 470.572 4.079 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1 526395432 MGYWBHNBECGRNS-DEOSSOPVSA-N 476.485 4.131 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015898 GDNOEZOLYVFMTM-HSZRJFAPSA-N 496.567 4.301 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4c(F)cccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869970972 VWZKSOZTAVAXLY-UHFFFAOYSA-N 486.979 4.413 10 10 JICE CCCCCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678149 KIUFCBFFAHIRQR-UHFFFAOYSA-N 498.712 4.480 10 10 JICE O=C(CCSc1nc(O)c2ccccc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179812 QSWFGVSFGAPGRT-UHFFFAOYSA-N 455.495 4.232 10 10 JICE COc1ccc([C@@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)c(O)c1 2080032455 DNNBSPHWBFUVPC-GOSISDBHSA-N 468.335 4.351 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 2296826213 BPSWRVXHMCJRDA-UHFFFAOYSA-N 456.454 4.419 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 2296885281 MXDVBLFSTRDTLP-UHFFFAOYSA-N 495.626 4.135 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OC 2297453201 CJLVTRGTQDAGEV-UHFFFAOYSA-N 495.582 4.232 10 10 JICE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccccc2C)C1=O 2314769004 QHLJHHWKSWTYTA-UHFFFAOYSA-N 463.378 4.312 10 10 JICE Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c3nc(C)cc4c3c2C(=O)c2ccccc2-4)cc1 2471312 YSEQJQBQYTXNGX-UHFFFAOYSA-N 494.550 4.111 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(N(C)C)cc1 9778232 TWTGJYUQHDJXPP-XZOQPEGZSA-N 459.933 4.467 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14461681 COLROSMAGUYXFG-XFAFFCHDSA-N 480.678 4.295 10 10 JICE Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 17026511 KXVCWTHJXRKYGB-AREMUKBSSA-N 463.647 4.447 10 10 JICE COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C(C(=O)OC)=C1C 33248367 OMIKFRVBDWAANC-DEDYPNTBSA-N 473.367 4.176 10 10 JICE Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)s1 33414085 WSLITZURTONYHW-UKTHLTGXSA-N 483.438 4.229 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459687 KXOXDZDPKZEHLV-KGENOOAVSA-N 478.643 4.347 10 10 JICE COc1ccc(C2=NN(C(=O)COc3cccc(C=O)c3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413256 WTRBENYTBICENK-AREMUKBSSA-N 457.530 4.330 10 10 JICE COc1ccc2[nH]cc(/C=C\c3nc4ccc(I)cc4c(=O)n3C)c2c1 97494814 YOXCAWWIAAGIRC-BAQGIRSFSA-N 457.271 4.198 10 10 JICE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1 101974188 OBYGGANZUNBNAO-IUPCOXQMSA-N 492.500 4.247 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)CC2)cc1 248124689 HCDRBAGZXYKNCR-RCXJIHSJSA-N 461.606 4.207 10 10 JICE CC(=O)Nc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347295 INDOWXQARHSPGN-NDEPHWFRSA-N 493.567 4.385 10 10 JICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012851 KTKTVACEVLZTPU-QHCPKHFHSA-N 490.604 4.131 10 10 JICE CCOCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870350964 GWHXGMIYIGJIDJ-UHFFFAOYSA-N 471.642 4.031 10 10 JICE COc1ccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1Cl 1874016247 DFNDWTCUPIVGMS-AWEZNQCLSA-N 474.900 4.116 10 10 JICE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1951855918 NRGPRUKZXQPKAQ-AREMUKBSSA-N 475.497 4.217 10 10 JICE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(=O)O 2079938922 IPRHVOABTAMRJC-QGZVFWFLSA-N 454.308 4.460 10 10 JICE CC(C)(C)OC(=O)NC1(C2CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C2)CC1 2106814534 QNSUWANOUWHNRQ-UHFFFAOYSA-N 458.603 4.056 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 2314509891 ZGSUHFJAXAHEMU-KRWDZBQOSA-N 493.610 4.484 10 10 JICE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(CC)C2=O)CC1 2314647570 CPCFZSGNJFPEIP-UHFFFAOYSA-N 455.605 4.235 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817639 DLBBRNPMVBOPHN-UHFFFAOYSA-N 470.601 4.067 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14461685 COLROSMAGUYXFG-DPZBCOQUSA-N 480.678 4.295 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 16891159 VHLNMSMXCYKFCV-CLOONOSVSA-N 465.619 4.447 10 10 JICE O=C(O)COc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1 16909561 LYAMTZARPPAGJH-OVCLIPMQSA-N 450.335 4.318 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3cccs3)CC2)cc1 20289524 WPWQNBYEUQNJRZ-KOSHJBKYSA-N 455.649 4.429 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1C 59336679 YSRKFOWPRANKTR-MLPAPPSSSA-N 494.139 4.200 10 10 JICE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1OC 210521605 MONWFWLQVYMGKU-CPNJWEJPSA-N 458.561 4.126 10 10 JICE CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(Br)c1O)C(F)(F)C(F)(F)F 722713386 PVIVQVWBRRQTLA-LLVKDONJSA-N 463.241 4.335 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3OCCOc3ccccc3)c2)CC1 1128039650 IUUWDPNMCHYOOJ-UHFFFAOYSA-N 459.546 4.065 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)[C@@H](C)C1 1760610469 ZEXJGHHRJQUVID-HNNXBMFYSA-N 477.059 4.294 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861925895 NKNKJJBIPMZOQN-VWLOTQADSA-N 477.992 4.039 10 10 JICE CCC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862213090 WTKZVDRSYOYCKD-LVXARBLLSA-N 481.637 4.220 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864008239 GNHWIIALKPDNAS-GKVSMKOHSA-N 496.567 4.223 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Oc5ccccc5)c4)n(C)n3)CC2)cc1 1869969844 VFBNHAWJCVBQAL-UHFFFAOYSA-N 484.560 4.195 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4C)n(-c4ccccc4)n3)CC2)cc1 1869969936 AQBRYAYDYDLEFS-UHFFFAOYSA-N 468.561 4.163 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515873 JYVHMCZSNKOPKK-UHFFFAOYSA-N 499.594 4.432 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3C)CC2)cc1 1874642619 JPULAFDSUBOXJU-NDEPHWFRSA-N 496.611 4.175 10 10 JICE Cc1c(CN=[N+]=[N-])cc(I)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887506186 PEVRINXTZNHQBY-UHFFFAOYSA-N 457.316 4.467 10 10 JICE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2079061509 XSDUOCMRXRWKSZ-SNVBAGLBSA-N 450.223 4.225 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106837377 YRLHPRRXXKQCNL-KRWDZBQOSA-N 460.619 4.446 10 10 JICE COc1ccc(Br)c(CN=c2[nH]c([C@H](C)NC(=O)OC(C)(C)C)cs2)c1O 2236045070 QBPCRMRBIXCRST-JTQLQIEISA-N 458.378 4.240 10 10 JICE COc1ccc(OCCOc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 2297347694 UIRSEHNXXZBZGY-UHFFFAOYSA-N 483.908 4.265 10 10 JICE CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2297349765 XSEXURDSXBDYKQ-UHFFFAOYSA-N 468.556 4.238 10 10 JICE O=C(O)CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S 2297577586 BGGFTTZZWVBVNI-UHFFFAOYSA-N 482.352 4.453 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 2313548318 SAEGIKHQOASYAV-UHFFFAOYSA-N 470.485 4.405 10 10 JICE COc1ccc([C@H](CN2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)N(C)C)cc1 2323880123 UALHDARHJCSPOO-SFHVURJKSA-N 458.605 4.217 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 14467343 XXZXFYUVCGZXTD-HYFFOGBASA-N 494.444 4.462 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCc3ccccc32)cc1 16914696 GLMJKNNYDHEHON-QHCPKHFHSA-N 457.546 4.113 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC 33326946 XXYIZZQCEXQEAY-GZTJUZNOSA-N 493.404 4.403 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1 38732779 CPFGCPWVUMQYQK-JCMHNJIXSA-N 488.638 4.338 10 10 JICE CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)CCC[C@H]2C1 1638301669 PPCVGPSCZXIWHU-WTOYTKOKSA-N 458.400 4.233 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)CC1 1858591750 YTONRHCDGWOPHT-OQLLNIDSSA-N 473.389 4.410 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(Cl)ccn1 1860344755 DOLAKBQETHOXNS-UHFFFAOYSA-N 455.905 4.261 10 10 JICE Cc1nc2ccc(Br)cn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860399186 LHASBHJLENJMIK-UHFFFAOYSA-N 460.287 4.433 10 10 JICE Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860591141 IJTRXAZUKAMNDF-UHFFFAOYSA-N 482.536 4.027 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018062 BSWFVVGQUBDPAS-LHSJRXKWSA-N 496.995 4.168 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873170753 OSXNIVKENCQZLT-UHFFFAOYSA-N 496.655 4.491 10 10 JICE CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC 2294034554 CWVUHWYWYWSUDI-UHFFFAOYSA-N 473.323 4.206 10 10 JICE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OC 2314766562 AVQVTSVNGUFLQU-INIZCTEOSA-N 494.388 4.493 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1=O 2314832190 BPUYSWFHZPOIEL-SFHVURJKSA-N 452.532 4.305 10 10 JICE CCOc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139839 YVIIKJVOZCTFPL-UHFFFAOYSA-N 467.541 4.273 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 20205525 XAGRADYHPUGKRB-AIPGXAOUSA-N 483.531 4.122 10 10 JICE CN(C)c1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 21858322 WZAALGCVVAXGHZ-GDLZYMKVSA-N 466.585 4.438 10 10 JICE CCCCn1c(=S)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(N(CC)CC)cc3)C2)c1=O 101495507 OHURKDZVUPREGF-LJQANCHMSA-N 471.627 4.345 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1C 213200486 BXZOUEZQWGIXOQ-PDGQHHTCSA-N 495.582 4.088 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2 1859574341 XXTAXJFIBTWJRX-UHFFFAOYSA-N 476.511 4.196 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864022891 ZPYRJMZWESPJKL-XMMPIXPASA-N 498.583 4.466 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(Cc4cccc(Cl)c4)C3)cccc21 1874180036 WMVNDFAVIMQMDC-MRXNPFEDSA-N 458.901 4.103 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N1C(=O)OC(C)(C)C 2106885635 METNLLZDDMHHTO-IAGOWNOFSA-N 460.619 4.396 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 2297341114 YOTXEJRBKSDJFA-UHFFFAOYSA-N 498.586 4.101 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 2313610001 RCGIXOKDHBTGFA-UHFFFAOYSA-N 489.391 4.386 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314401476 ZWUIVLYQZFSXGO-UHFFFAOYSA-N 488.635 4.143 10 10 JICE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2314413811 IJJNBOSWNBJDKB-UHFFFAOYSA-N 476.627 4.493 10 10 JICE O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 6996844 BBNMEXRIDDMCSL-JAIQZWGSSA-N 476.872 4.314 10 10 JICE CCOC(=O)c1sc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)nc1C 9572283 WDARCXICPBALES-UHFFFAOYSA-N 450.973 4.413 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 39835615 AXYHEQTXXQPTEF-AMRJIULGSA-N 479.583 4.175 10 10 JICE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 102475006 OPFMXYZWHMQQMY-RWYGKYMDSA-N 487.585 4.206 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 915318534 GAYDCQVPPATHRG-UHFFFAOYSA-N 466.582 4.071 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1O 1654726108 RJZIZHOKTUCNAK-TZIWHRDSSA-N 450.551 4.018 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873170495 BTANNJSPVINXLQ-KBMIEXCESA-N 474.649 4.437 10 10 JICE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874017765 VLDJKMYMZMQCPN-QHCPKHFHSA-N 490.581 4.102 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C2=O)c(OC)c1 2059061588 OLDCDQPWUZBSJJ-LYFYSQINSA-N 458.605 4.153 10 10 JICE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080055345 DJSDZOBQWZREEN-INIZCTEOSA-N 485.366 4.234 10 10 JICE CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106874951 XOFZVQMMIIGWME-KRWDZBQOSA-N 460.619 4.303 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 2294235349 FJIVVGRSIGEJJG-UHFFFAOYSA-N 465.756 4.333 10 10 JICE COc1ccc(-c2nc3sccn3c2C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 2296400290 NZIZGLGOZBKQPU-UHFFFAOYSA-N 474.527 4.332 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540658 AUSRMEGOSQLIGK-GASCZTMLSA-N 456.637 4.096 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 2296729353 CRCBQJZOOCQDKC-UHFFFAOYSA-N 471.586 4.015 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccccc12 2296885363 QTOVBWFKGOKASB-UHFFFAOYSA-N 455.992 4.381 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCCOc3ccc(C)cc3)C2=O)cc1 2296930276 LVYLHSYTDYUVKK-UHFFFAOYSA-N 457.530 4.494 10 10 JICE O=C(NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)c1ccccc1Br 1237993 YBVCEWNNYYWDHK-CXUHLZMHSA-N 458.362 4.477 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 20236895 VNGUZXLRNUYERO-FAINKHGOSA-N 467.865 4.107 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=S)N=C2O)cc1[N+](=O)[O-] 33321892 GVBACBMVCFBYHZ-JYRVWZFOSA-N 476.308 4.346 10 10 JICE CCOC(=O)c1c(/C=C\C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)n(CC)c1C 207249896 LGHIGQAMKNQQSR-SEYXRHQNSA-N 453.583 4.109 10 10 JICE CO[C@@H]1[C@@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1ccccc1O)CC2 209334399 CWRHNVJFJSKJHY-IZZNHLLZSA-N 462.615 4.416 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)cc1 213181126 ZYYWJOYZBYYBFD-RGEXLXHISA-N 481.599 4.205 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3C)c(C)s1 1859573738 QAXPNZFTZWTEFN-UHFFFAOYSA-N 477.995 4.490 10 10 JICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)SC1=S 1860826312 DCHKTFOKXAVFCU-DQRAZIAOSA-N 474.563 4.433 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019325 ISXUBUGDSOSSNC-OAQYLSRUSA-N 494.979 4.253 10 10 JICE CCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665314 MUNVEAKWANVLDB-LTGZKZEYSA-N 469.969 4.256 10 10 JICE Cc1cc(Br)c(N)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1866210804 SNLAWNAGGUPIAW-NRFANRHFSA-N 459.432 4.363 10 10 JICE CC(C)Cc1nc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccn12 1866863788 CFTBNQNFYJKOCW-QGZVFWFLSA-N 494.551 4.065 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCOC(C)C)CC2)cc1 1870353118 PQFRUBQXGKBYMS-UHFFFAOYSA-N 485.669 4.419 10 10 JICE COCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419876 CRPBIXZUIKAQIC-UHFFFAOYSA-N 451.473 4.211 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2c(O)cccc2Br)C1 2025244160 IKKGDKKUKGOTNV-LJQANCHMSA-N 490.442 4.366 10 10 JICE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079031412 LCXYSIOUXVIWQR-MRXNPFEDSA-N 467.351 4.288 10 10 JICE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 2293763536 DWKZRTPCYIDRMM-UHFFFAOYSA-N 466.902 4.438 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2296538432 PBDGUWDFMDZZME-UHFFFAOYSA-N 465.600 4.352 10 10 JICE Cn1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c2ccccc21 2296883127 OKRUCAVAEGZOQT-UHFFFAOYSA-N 455.477 4.223 10 10 JICE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2297331553 WEGBEAAWLTYRAE-UHFFFAOYSA-N 470.391 4.014 10 10 JICE Cc1cc(C)cc(OCCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 2297352643 IUKQFKWIDQKJGG-UHFFFAOYSA-N 476.606 4.247 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 2297358677 RXVGJORWZCPTHF-SFHVURJKSA-N 456.498 4.497 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 2314832082 ZFGHICAUBAXGDA-UHFFFAOYSA-N 458.561 4.117 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1I 33322334 HWZLHWFZXKDUJP-DHDCSXOGSA-N 476.270 4.423 10 10 JICE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)cc1Cl 35132145 BJZUENQZUQZBON-VXPUYCOJSA-N 486.018 4.061 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1C 39836078 BXZOUEZQWGIXOQ-LDADJPATSA-N 495.582 4.088 10 10 JICE COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccc(I)cc3)C2=O)cc1 59377774 OHCGPJDFPGLEPL-GZTJUZNOSA-N 480.327 4.430 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526328610 PQVBIHCFDMGICB-HSZRJFAPSA-N 479.485 4.189 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1 526478730 VGMHAIBYEBQTNF-QHCPKHFHSA-N 461.470 4.340 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)[C@@H](C)C1 1359383794 IPNKGWRUBZHJSJ-NRFANRHFSA-N 478.641 4.225 10 10 JICE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)cc1 1705669077 BICSQZSMMYHPTQ-SXOMAYOGSA-N 465.642 4.205 10 10 JICE CC(C)COC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858855512 LHLJATUBDJFWTB-INIZCTEOSA-N 487.512 4.468 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1859466062 CRDPWPRJEVIJOW-UHFFFAOYSA-N 476.444 4.104 10 10 JICE C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 1860793709 BUCAWGVTYNXSRU-HIPMGEKLSA-N 461.374 4.212 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861906482 UXMAPCGXSFEVHM-RUZDIDTESA-N 491.657 4.357 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017949 ZABGAPOONGOYFV-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CCc1cccc(C)c1N1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865924206 YUUYLIUGWCHCIV-AHWVRZQESA-N 476.665 4.320 10 10 JICE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)C)n1 1869096588 GLSWPWFYEAAVCD-UHFFFAOYSA-N 454.663 4.103 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5c(C)noc5C)[nH]c4c3)CC2)cc1 1872824977 MISMVKCTSSTGNH-UHFFFAOYSA-N 477.590 4.431 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873162033 CRAUBZUKZQKOTA-UHFFFAOYSA-N 491.035 4.221 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)cc3C)n4C)CC2)cc1 1873650085 AMDNBDUZNQNCPX-UHFFFAOYSA-N 470.577 4.173 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cn(-c4ccccn4)c(=O)c4ccccc34)cccc21 1874179112 OAPUFDQJVGJDJK-UHFFFAOYSA-N 471.472 4.413 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 2296563742 LBZMWEODGUDEKK-UHFFFAOYSA-N 486.480 4.029 10 10 JICE CCOc1ccccc1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296717957 XMZOUGCASSNVRX-UHFFFAOYSA-N 451.573 4.289 10 10 JICE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2313557335 AMQHBSOOORFWQT-UHFFFAOYSA-N 467.678 4.307 10 10 JICE COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2313559853 YJMZWIZERUYUFG-UHFFFAOYSA-N 470.106 4.431 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 2313630079 GPYOGCABKRHGKC-GOSISDBHSA-N 478.401 4.422 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323812721 YNAMSIJQFHYRDS-OAHLLOKOSA-N 482.352 4.191 10 10 JICE Cc1ccc(C)c(CN2N=C(C(F)(F)F)C(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)c1 2332141284 OFMXYGTXDPLEBZ-UHFFFAOYSA-N 461.396 4.327 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21 14469101 KRVAYLSJLVDCIZ-GLDPYIMESA-N 450.535 4.213 10 10 JICE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14543674 VWVBPTFXXFZMDU-ZNNUDVHBSA-N 454.592 4.369 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 15047087 WNYRUHJWRXWJED-FDIDITGRSA-N 458.536 4.231 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 20680681 CHUYJGCQJNFOKE-KNKQGSTJSA-N 475.408 4.297 10 10 JICE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 33349117 JIZLZABEXUJTHJ-HXDLSSMFSA-N 489.326 4.425 10 10 JICE CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 54421832 RQEASRVVDNPION-VWNXMTODSA-N 476.614 4.045 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 205959141 GENMPAZIYSLZLG-HAVVHWLPSA-N 469.497 4.397 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 208339927 CCBYFAINLXXEGV-ZDLGFXPLSA-N 479.426 4.334 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 210497836 UIGQYNHGFZNGJW-LFIBNONCSA-N 450.488 4.224 10 10 JICE O=C(Nc1ccc(C(=O)NCc2ccncc2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586691141 BSJTZUDVZYCLBG-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727430560 JVLNUPKLCPICMS-VWLOTQADSA-N 498.023 4.028 10 10 JICE CCOc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OCC 1860713355 WTRHMZFMMBNLHA-UHFFFAOYSA-N 472.541 4.378 10 10 JICE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(I)cc2F)cc1 1860717028 PLKNISWYZSIGDV-UHFFFAOYSA-N 455.315 4.005 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(Cc4ccccc4)n3)CC2)cc1 1862366650 RUMRPWVGGBDPHC-UHFFFAOYSA-N 496.567 4.298 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008412 KAGZULYNACYLEV-GANZUKCXSA-N 488.588 4.290 10 10 JICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864009812 FIEDLBZJYJMXGV-IZHWHUGBSA-N 484.556 4.354 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865032047 UMSMGJVNBDLTMS-QFIPXVFZSA-N 488.588 4.469 10 10 JICE COc1ccc(Cl)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866451496 UNTXSOGJUBBIFC-OAQYLSRUSA-N 483.012 4.213 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5cc6ccccc6nc54)nc(C)n3)CC2)cc1 1869284913 OUMXURPFQZFDHQ-UHFFFAOYSA-N 452.562 4.363 10 10 JICE CCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871023670 HYMUSSDUFKTTTM-UHFFFAOYSA-N 462.579 4.457 10 10 JICE COC(=O)c1ccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1872848026 ISEUIMIFVSSJHI-UHFFFAOYSA-N 460.530 4.023 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2ccc(N3CCCC3)cc2)C1 2205552332 YNJMJZIOIFLYRC-AREMUKBSSA-N 464.654 4.498 10 10 JICE COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 2297351166 QGWIFYLFBOCTMN-UHFFFAOYSA-N 490.899 4.372 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2314415028 VAJQLKRGCBSQKX-QGZVFWFLSA-N 486.663 4.375 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1O 2314769031 QQYCUMZJIAZPGB-UHFFFAOYSA-N 479.377 4.018 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)cc1 2418874 QYUQTFAPLDFUSX-HMMYKYKNSA-N 468.351 4.496 10 10 JICE O=C(O)CNC(=O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15040292 ZFDAQUDFAFQOSI-MOSHPQCFSA-N 464.568 4.175 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15047379 BGPIFNDGDSZCCH-KELUXRKGSA-N 472.588 4.331 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694734 ZAPTYYZHKKYAOI-UHFFFAOYSA-N 490.000 4.076 10 10 JICE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OCC)c3)SC2=S)cc1 210457253 AWGGZMWBRVNLMN-UNOMPAQXSA-N 459.545 4.353 10 10 JICE C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(N2CCOCC2)cc1 727309552 ALRWFAUVSPKWNC-SFHVURJKSA-N 450.608 4.227 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862247497 RXUCJTMZAWBNJT-OAQYLSRUSA-N 484.021 4.100 10 10 JICE CC[C@@](C)(NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868848394 KRCLDNSQQNMYBM-RPLLCQBOSA-N 469.601 4.208 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 1874179192 SOOBPARZURVMJS-UHFFFAOYSA-N 463.493 4.151 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccc(OC)c4)c3)CC2)cc1 1874730928 MPHIBSRBMVJPDR-UHFFFAOYSA-N 474.557 4.318 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cncc(C)c4)c3)CC2)cc1 1874738623 WBYAUSMLSXELFK-UHFFFAOYSA-N 459.546 4.013 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccs4)cc3)CC2)cc1 1874745938 ANGMOYUYAYUMFW-UHFFFAOYSA-N 450.560 4.371 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314770153 ZRSDMRUNCUSIFH-LJQANCHMSA-N 466.584 4.319 10 10 JICE CS[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381137697 PTLHPCXJPGWDCT-DOMZBBRYSA-N 461.422 4.066 10 10 JICE CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 2368408 RDJDDJZFAHQVDO-OWXSRONMSA-N 469.635 4.446 10 10 JICE COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(OC)cc5)CC4)sc3n2)cc1 6531099 DWUSXIUJFVDEKN-UHFFFAOYSA-N 462.575 4.351 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N5CCC(C)CC5)c4c3C)CC2)cc1 9504689 PSJKYWCMNNEPSF-UHFFFAOYSA-N 465.623 4.207 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCOCC1 20695964 MTIUTFMQKYSOKB-YVHKJVDXSA-N 491.407 4.002 10 10 JICE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(CCOc2ccccc2)C1=O 34239275 MUKFKGYEJSBEQW-FOCLMDBBSA-N 461.362 4.052 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 39729170 ZQGVGGRIHXDETR-PBEQFFAXSA-N 494.642 4.495 10 10 JICE COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(O)cc4)c3)o2)cc1OC 64988052 SFYSPDWDQPMQJL-UHFFFAOYSA-N 467.503 4.236 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCCOc1ccccc1 96459408 RLDICPFDICCQRR-ARFHJRQPSA-N 482.587 4.483 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 103037613 WRZSYUYCQDAHLY-FLJQVKMMSA-N 469.544 4.477 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCCC(=O)O 210465116 KOTRJNRAOSAQBZ-MOSHPQCFSA-N 486.571 4.303 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)C1 1359357099 YQTZXYYVHVUOQE-IBGZPJMESA-N 474.531 4.220 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccccc4Cl)c(O)n3)CC2)cc1 1858519081 FXHDPQVJKDRKTR-UHFFFAOYSA-N 499.036 4.184 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864007733 SWEXBOIJCMUSAB-OAQYLSRUSA-N 482.968 4.102 10 10 JICE CCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870683808 ZYJWASTUCYUIRM-UHFFFAOYSA-N 492.576 4.076 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871483802 HYQGNFRGYGFNGJ-UHFFFAOYSA-N 499.663 4.405 10 10 JICE CCc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871581895 BHLDQWRYJSWRSO-UHFFFAOYSA-N 461.614 4.003 10 10 JICE COc1ccc([C@H](C)NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873937606 OKDYKHYKKWVJLQ-SFHVURJKSA-N 478.552 4.460 10 10 JICE Cc1ccc([C@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)c(O)c1 2079046617 BUARLJIJGIFTIO-AWEZNQCLSA-N 465.257 4.369 10 10 JICE COc1ccc(OC)c(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1 2296048010 CYDMFIRNRANBLT-UHFFFAOYSA-N 479.377 4.013 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 2314509704 XCRUHGZTFADHQV-UHFFFAOYSA-N 481.599 4.341 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2ccccc2OC)CC1 2330188800 MZZUSHAJVMOEDE-UHFFFAOYSA-N 469.586 4.150 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 16915767 ZXPNDLNXDWCYMY-DEDYPNTBSA-N 473.572 4.001 10 10 JICE COc1ccc(N2CCN(c3cc(NCCC(=O)O)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1 20108011 RGURANUBCAQSPK-UHFFFAOYSA-N 498.539 4.261 10 10 JICE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4cc(OC)ccc4c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076766 WJSXZIKWZYYSTF-UHFFFAOYSA-N 491.525 4.293 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 102465312 SWSAEMSIZKCAJV-MJJUSULESA-N 454.533 4.251 10 10 JICE CC(=O)c1cc(F)cc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1O 1642875199 IVXKFDIRHLSZOG-MRXNPFEDSA-N 450.226 4.338 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cc2)CC1 1651824368 MCGVIVDCZFQHII-UHFFFAOYSA-N 458.518 4.106 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CC(c2ccccc2)c2ccccc2)N2CCOCC2)cc1 1858074903 WTOMKOUZRGLJCH-MUUNZHRXSA-N 457.618 4.464 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 1858592488 PQKJNGZRVFLQJR-UOBPLZBXSA-N 473.572 4.087 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016005 HEGDJIFBEOLROF-OAQYLSRUSA-N 474.561 4.125 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029900 YBHMFMGMLARYSG-GAJHUEQPSA-N 488.588 4.189 10 10 JICE O=C1c2ccccc2C(=O)c2c1c(C(=O)NC1CCN(Cc3ccccc3)CC1)c1ccccn21 1873987035 FDLAELXMRDUQFZ-UHFFFAOYSA-N 463.537 4.109 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080030583 OTEJLJBXJRYYPL-ZDUSSCGKSA-N 481.256 4.173 10 10 JICE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 2296711371 SAQMVFXAPCGRER-UHFFFAOYSA-N 493.610 4.195 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(SC)SC4=NC3=O)c2C)c(OC)c1 2297469540 HYUYARATPTZLOP-UHFFFAOYSA-N 455.565 4.051 10 10 JICE Cc1nn(-c2ccccc2)c(O)c1N=Nc1c(O)cc(S(=O)(=O)N(C)C)c2ccccc12 2297720469 JIEJOTKGALXEKJ-UHFFFAOYSA-N 451.508 4.411 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1Cl 2313560414 SFQKRLBAQKTHGT-UHFFFAOYSA-N 464.861 4.395 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)c1)C(=O)O 2314930519 FJNBRJAQEGWJNU-LJQANCHMSA-N 457.573 4.381 10 10 JICE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3cccc(OCc4ccccc4)c3)SC2=S)cc1 2323686455 BMLJCWQYSRWACV-UHFFFAOYSA-N 496.635 4.314 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33453579 DOALZABWUCHKOD-UDWIEESQSA-N 466.632 4.121 10 10 JICE COCCN1C(=O)/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N(c2ccccc2)C1=O 33655889 NEZQSATVYXOBPJ-LTGZKZEYSA-N 494.345 4.265 10 10 JICE CC(=O)N1CCC[C@@H](Cn2c(N(C)Cc3ccc(N4CCCC4)cc3)nnc2C(C)(C)C)C1 1741029710 AOIDBULCTBQCBS-JOCHJYFZSA-N 452.647 4.071 10 10 JICE COc1ccccc1CCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345063 QWDXRVXVLHZNLQ-UHFFFAOYSA-N 492.579 4.332 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CCCCCC(=O)N2CCCCC2)N2CCCCC2)cc1 1866218093 WWDHDIHBVFNBMN-RUZDIDTESA-N 456.675 4.359 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873167351 CGJBYTFKRGWFKZ-UHFFFAOYSA-N 499.659 4.481 10 10 JICE COCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419881 CUEPSTBRBCUVQS-UHFFFAOYSA-N 451.473 4.211 10 10 JICE O=C(N[C@@]1(c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762862 NOOORRFARYPXMY-PXDATVDWSA-N 460.442 4.139 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNCc2c(O)cccc2Br)C1 2163267920 CZOZJGCRAKKARL-DGCLKSJQSA-N 453.299 4.290 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2293453474 SDPKDVVPFPEGAJ-UHFFFAOYSA-N 450.466 4.375 10 10 JICE COc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 2293987089 MSGNDCWFJXDGAS-UHFFFAOYSA-N 477.542 4.483 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1 2296739244 JTTDJPXSTGIUSH-UHFFFAOYSA-N 461.337 4.143 10 10 JICE COc1ccc(N2CCN(C(=O)Cn3c(=O)nc(-c4ccccc4)c4cc(Cl)ccc43)CC2)cc1 33048924 KXRTVXHSLULHEM-UHFFFAOYSA-N 488.975 4.074 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)C3(c4ccccc4)CCOCC3)c3ccco3)CC2)cc1 38598240 XGCWRKOGROJCBC-AREMUKBSSA-N 489.616 4.016 10 10 JICE COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 39729259 JOMSBAFWLQFUIX-DEDYPNTBSA-N 494.642 4.161 10 10 JICE CSc1nnc(-c2cc(Br)ccc2N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(O)n1 100381460 RJBJDIJUTRXQBQ-LFIBNONCSA-N 497.378 4.447 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526526272 MAXQCDJRCHXCJM-DEOSSOPVSA-N 491.496 4.349 10 10 JICE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1705664979 HBHQSXRAOJEZDO-IBGZPJMESA-N 471.627 4.059 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865033135 SOIBVCXJQMHPFA-QHCPKHFHSA-N 488.588 4.107 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)N2CCCCC2)cc1 1866069820 PWBUAKYVVKWTAC-HSZRJFAPSA-N 497.437 4.314 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(ccc4cccnc43)c2=O)N2CCCCC2)cc1 1866431220 SDKRQMXODZCLFY-DEOSSOPVSA-N 469.589 4.099 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869172481 UPOHJQGBVUSPNW-UHFFFAOYSA-N 483.620 4.189 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)n(C)n3)CC2)cc1 1869969103 DXTJIMONVAASQP-ONNFQVAWSA-N 487.391 4.109 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCCC2 1873427370 QXRXZKVBTVAASQ-LBPRGKRZSA-N 462.955 4.067 10 10 JICE CCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650701 XFUYSGPGVOFRQZ-UHFFFAOYSA-N 468.648 4.246 10 10 JICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314836660 IBUYAQXITAGGPI-OAHLLOKOSA-N 462.637 4.335 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468743 IVYJJTADMLLOAS-IMWIBFENSA-N 456.564 4.135 10 10 JICE Cc1cccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2cc(O)ccc2O)CS4)c1 20485320 NKKVSRFMEFZHKQ-UHFFFAOYSA-N 478.555 4.096 10 10 JICE CCN1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Br)ccc1O)N2 65298145 LKNWMWXCEXRFJZ-IBGZPJMESA-N 472.383 4.219 10 10 JICE biogenic Cc1cc(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1-c1cccc(Cl)c1 108936460 KKFFJFMKRZGQBH-QZTJIDSGSA-N 458.002 4.236 10 10 JICE CC(=O)O[C@@H]1[C@@H](N2CCCCC2)c2c(ccc(/C=C\C(=O)N3CCCCC3)c2O)OC1(C)C 169617507 FRDWBYRDTKNHAO-PKCYQIOVSA-N 456.583 4.048 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)ccc1O 210732754 VBPGABMGSBTIQN-XSFVSMFZSA-N 456.589 4.089 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226746590 LTPKMFRRZGBUPH-OHUGHZGNSA-N 450.535 4.213 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084654769 SLPNGZBWFMAXRV-ZDLGFXPLSA-N 482.855 4.461 10 10 JICE CCCC[C@H](NC(=O)CCCOc1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862230023 OUCFUIAFTMYMDS-MHZLTWQESA-N 495.664 4.440 10 10 JICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679521 QYSUJIMNZPMKIT-CIAFOILYSA-N 489.459 4.344 10 10 JICE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2C)n1 1867957266 SUGBBHWWHCTBAR-UHFFFAOYSA-N 489.620 4.177 10 10 JICE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c([N+](=O)[O-])c1 1873929714 SLGFSCSNBXHVFF-UHFFFAOYSA-N 479.496 4.430 10 10 JICE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106857077 HGMDRYBJCUQEBZ-ILBGXUMGSA-N 452.643 4.355 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2293571086 QLKYPFPLYJSSND-UHFFFAOYSA-N 487.468 4.027 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 2293798400 SQFROJSRZDDJCM-UHFFFAOYSA-N 477.517 4.071 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2297346202 LSSZYXYGYAILMH-UHFFFAOYSA-N 496.401 4.022 10 10 JICE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347360 YMLIRNYKBZVDNZ-UHFFFAOYSA-N 492.557 4.278 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548328 SFZCVCGWSKDPHM-UHFFFAOYSA-N 481.468 4.217 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 2313548858 HMYSDPQNAWWETA-UHFFFAOYSA-N 494.139 4.195 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(Sc3ccccc3)nc12 2314400981 SWBBLQMDUNRETL-UHFFFAOYSA-N 497.623 4.220 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 2314827642 JLCYFRYALUWXSX-UHFFFAOYSA-N 468.478 4.260 10 10 JICE C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1)C(=O)O 2314930194 YXBGWUQBZCIJEG-CQSZACIVSA-N 484.599 4.382 10 10 JICE CCCN(CCC)C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945276 HXPCBSHNOIXWMJ-UHFFFAOYSA-N 487.647 4.356 10 10 JICE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14551958 FLGGRQHYTBXWJZ-IMSXRSKXSA-N 455.649 4.171 10 10 JICE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15046839 PFRRHHXDSYQNQE-MTUBTWAWSA-N 493.404 4.392 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(Cl)c3)c3ccc4c(c3)OCO4)CC2)cc1 16953871 WBIUIULUBJQOFY-DEOSSOPVSA-N 493.991 4.371 10 10 JICE COc1ccc(CCNC(=O)c2cnn3c(O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1OC 20136955 DZJHDLBXUNPXIO-UHFFFAOYSA-N 498.942 4.116 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1 20236098 YRIORXPFLKHXQO-WLYGJILCSA-N 468.307 4.487 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 526501950 NKHZEBYSZXVYPI-VWLOTQADSA-N 458.514 4.300 10 10 JICE CC(=O)N[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1cccc(Br)c1 1287661608 TTZXEYXBNLLEOM-JOCHJYFZSA-N 454.368 4.350 10 10 JICE O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NCCc1ccc(O)c(O)c1 1860264491 WMDBXPQGIQOBTF-UHFFFAOYSA-N 465.889 4.262 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N2CCCCC2)cc1 1865977545 DRAUMAAZDNSRHZ-JTHBVZDNSA-N 458.647 4.043 10 10 JICE CCc1sc(NC(=O)c2cc[n+]([O-])cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866045013 LBOUTIRDZDVILB-UHFFFAOYSA-N 461.337 4.412 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969690 JAQZUJSJRLBZQP-UHFFFAOYSA-N 468.561 4.163 10 10 JICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421321 RHPPTBJKAGFKBX-UHFFFAOYSA-N 472.589 4.246 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C(C)C)C2=O)cc1 1873424151 MGXOTOGYWVBOFY-UHFFFAOYSA-N 477.586 4.098 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCCC3)n4CC(C)C)CC2)cc1 1873550609 JQTPTDKRZUCKIO-UHFFFAOYSA-N 476.625 4.049 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccc(F)c4)c3)CC2)cc1 1874734765 GFGJRPBFIUUNHI-UHFFFAOYSA-N 462.521 4.449 10 10 JICE COCCN1C(=O)C(=Cc2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296710589 AJLAIACWSGKSSQ-INIZCTEOSA-N 480.615 4.024 10 10 JICE CC1=NN(c2ccc(Br)cc2Br)C(=O)C1=C(C)NCCc1ccccn1 2296734957 JNZZVSLTDZYWAY-UHFFFAOYSA-N 478.188 4.435 10 10 JICE CC[C@@H]1CCCCN1C(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296881360 CXZRJNJLQGTPIM-MRXNPFEDSA-N 478.636 4.095 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 2314761257 QTZOLVKAGYFMDI-UHFFFAOYSA-N 488.425 4.401 10 10 JICE Nc1cc(Nc2cc(N)c3c(c2)C(=O)c2ccccc2C3=O)cc2c1C(=O)c1ccccc1C2=O 3848528 KZHMXPBPSYVENM-UHFFFAOYSA-N 459.461 4.145 10 10 JICE biogenic O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11158529 WOFJJYGXRORZLL-NRFANRHFSA-N 482.989 4.203 10 10 JICE O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 15050971 KMHUCBFWVRYDJC-AVIKPIRVSA-N 480.464 4.378 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Br)cc2)N3)CC1 226777848 AEUPQYUTIVGIOW-ZRCGQRJVSA-N 488.451 4.212 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526563345 PULVISVAWWKNHZ-NRFANRHFSA-N 467.499 4.020 10 10 JICE O=C(Nc1ccc(C(=O)NCc2ccccn2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586694043 XUBLKDNRLJYJEP-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(Br)o3)C2=O)cc1 1084463579 NDDWUSMIOYKBEM-GHXNOFRVSA-N 468.101 4.033 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(F)c(F)c4F)n4ccccc34)CC2)cc1 1858341989 QKWSOJPJUNSVOL-UHFFFAOYSA-N 466.463 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CC3CCCCC3)CC2)cc1 1862113698 MMSPOVKCVUNOEB-AREMUKBSSA-N 463.622 4.042 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1866205071 SNLLYXUYSPOZFG-PMACEKPBSA-N 478.570 4.033 10 10 JICE O=C(C[C@H]1CCCCO1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867247464 CXKRSATZNCREQY-NLFFAJNJSA-N 496.563 4.087 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NCc1cccc(Br)c1O)CO2 2160182950 QUEAXCFXBJRLIJ-IBGZPJMESA-N 475.383 4.205 10 10 JICE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2194693652 CTPAGZRGTVLTRG-AWEZNQCLSA-N 463.800 4.312 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 2293512374 XSQAUPHYEVFABO-UHFFFAOYSA-N 495.285 4.162 10 10 JICE CC[C@@H](C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2295993338 OAGAZGGQHQCTOY-CQSZACIVSA-N 494.598 4.035 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2296660121 IABOLPMFEXXMRQ-UHFFFAOYSA-N 498.586 4.191 10 10 JICE CCc1n[nH]c(=NC(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)s1 2297512486 NJRPWYZTFQONSZ-UHFFFAOYSA-N 460.563 4.110 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCOC)C2=O)cc1 2314509922 ZYYWJOYZBYYBFD-UHFFFAOYSA-N 481.599 4.205 10 10 JICE CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O 12500408 CBSRTPVVKOVTFU-WQRHYEAKSA-N 475.302 4.297 10 10 JICE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2)cc1 17206534 SVZUUJORLCTBID-KQWNVCNZSA-N 462.531 4.215 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 20356636 NUFRMYGZKBLMKT-JMSPFPEISA-N 484.585 4.156 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33459347 KUAYXJNRKSRDPT-GZTJUZNOSA-N 454.577 4.209 10 10 JICE COc1ccc(N2CCN([C@@H](c3ccccc3OC)[C@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 101016341 OSXSRIQXSRMZQM-YTMVLYRLSA-N 485.584 4.292 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)c2)CC1 1216724369 UNZBJSOEDGQKQU-UHFFFAOYSA-N 459.594 4.393 10 10 JICE CCOC(=O)[C@@H](CC)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858848487 GQHOSHCOVNWMLA-HXUWFJFHSA-N 473.485 4.222 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009892 MVHHAFHLYMYFKS-CMJOXMDJSA-N 476.577 4.147 10 10 JICE CCOc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1868050161 PODDIKMZBLLFOB-XMMPIXPASA-N 453.627 4.436 10 10 JICE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC[C@H](CO)C4)nc(-c4cccnc4)n3)cccc21 1868563897 IWSBPQKRLOOBMR-SFHVURJKSA-N 491.551 4.266 10 10 JICE COCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162298 OQOICNQDJCNARB-UHFFFAOYSA-N 487.600 4.051 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 2294280059 VYBHLFYXZKRUJL-UHFFFAOYSA-N 493.950 4.207 10 10 JICE CCCCOc1ccc(Br)cc1C=C1C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 2297316206 JIQGZBLTMBIZPE-UHFFFAOYSA-N 492.395 4.082 10 10 JICE COCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314415096 XJNQQBPUNOAKPW-UHFFFAOYSA-N 486.663 4.231 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)c(C)c1 2314828520 FAXGJYGIQNDIAY-UHFFFAOYSA-N 486.600 4.345 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnn4c(C)c(Cc5ccc(C)cc5)c(C)nc34)CC2)cc1 3045177 NJVMOXVFDKPQBP-UHFFFAOYSA-N 469.589 4.216 10 10 JICE CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(Br)cc(Br)c2O)NC(=S)N1 27522703 AEWIIJASSADBES-HNNXBMFYSA-N 497.212 4.349 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33880949 TXCSNGPXJZILPJ-QGOAFFKASA-N 450.589 4.226 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34890649 WZLZPIDZFGQGHK-XPFMCRKWSA-N 494.642 4.150 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310926 JFZMVKPEPJLDOC-KNQAVFIVSA-N 493.069 4.478 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3cccc(Br)c3)CC2)c(C)n1-c1ccccc1 62694089 GSGKYTLGGUULAE-UHFFFAOYSA-N 480.406 4.497 10 10 JICE CCOc1cc(/C=C2\SC(Nc3cccc(C(C)=O)c3)=NC2=O)ccc1OCCC(=O)O 210469378 HWCMZXDRAWQWMG-NDENLUEZSA-N 454.504 4.224 10 10 JICE CS(=O)(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 913098674 DDDRJRNJWLMCTL-OAQYLSRUSA-N 463.519 4.218 10 10 JICE CCOc1ccccc1NCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1084000483 TXNKZRNQJKDVAG-UNOMPAQXSA-N 460.577 4.382 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cccc21 1860590493 DWHOMMGMMYKKDS-UHFFFAOYSA-N 453.498 4.345 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(F)c4)n(-c4ccccn4)n3)CC2)cc1 1862369509 HUMLXQYNOBHTFD-UHFFFAOYSA-N 487.535 4.053 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864011093 ZEUAYSBKNYENCF-UTKZUKDTSA-N 456.587 4.182 10 10 JICE Cc1nc2ccc(N3C[C@@H](C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3=O)cc2s1 1866258645 FERDUMPYJUVFNF-HNNXBMFYSA-N 481.533 4.372 10 10 JICE CC(C)(NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866825687 JDMLKNLSNGWPQP-UHFFFAOYSA-N 479.492 4.264 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871592893 BZYGAXRQSNACHX-UHFFFAOYSA-N 489.668 4.403 10 10 JICE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079041591 VOLJDOKDOBVJNV-ZDUSSCGKSA-N 481.256 4.255 10 10 JICE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2079979021 KEZLHABYBDPPFH-KRWDZBQOSA-N 472.323 4.186 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1OC 2296660062 AJOLXLUKGMSTDW-UHFFFAOYSA-N 474.513 4.013 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2297500627 HYVFOJXXEWNSKB-UHFFFAOYSA-N 459.593 4.319 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O)C(=O)O 2314934092 XWAZDCXKJPJLPC-KRWDZBQOSA-N 456.545 4.293 10 10 JICE CS(=O)(=O)Oc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O 3000929 SKNYEXJNPOXXLW-OQLLNIDSSA-N 488.381 4.332 10 10 JICE COc1cccc2c1OCC(/C=C1\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 33515930 BZTSGBVECXXRBW-MOSHPQCFSA-N 491.594 4.218 10 10 JICE COc1ccc(N2CCN([C@H](c3ccccc3OC)[C@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 101016342 OSXSRIQXSRMZQM-PXJZQJOASA-N 485.584 4.292 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526278177 VYKPEPLVINWLIP-HSZRJFAPSA-N 461.470 4.340 10 10 JICE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@@H]34)cc12 1614472164 MIOJWYKVOMYQKF-URXFXBBRSA-N 456.627 4.472 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865025713 CFPPQDUHQILGCQ-QHCPKHFHSA-N 494.567 4.133 10 10 JICE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)C1=O 1865677540 OSPSXQYNUDHPPY-HAVVHWLPSA-N 493.604 4.381 10 10 JICE CCCC[C@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867128899 KFIWZARMFYSBSK-FQEVSTJZSA-N 497.507 4.236 10 10 JICE CC[C@H](C)N1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167867 AWHKURAADMBCTM-KRWDZBQOSA-N 471.557 4.491 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC)C1=O 1873170178 QJAAUDPNYVYHRF-UHFFFAOYSA-N 467.610 4.007 10 10 JICE COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C2CC2)cc1 1890883920 WKSBCRIAAZEEOW-PAARPEEMSA-N 491.657 4.148 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2296849542 NCTSKPVCAXPGHU-UHFFFAOYSA-N 467.572 4.033 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 2297366683 FMXUFASHEBKTRY-UHFFFAOYSA-N 494.862 4.423 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297468662 OWNNNCCYADKWNR-UHFFFAOYSA-N 497.536 4.285 10 10 JICE CCN1C(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 2313624473 VDPJKUIGDBMGBB-UHFFFAOYSA-N 468.376 4.099 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCCCC1 2314486715 LPGNKEPRISBYQM-UHFFFAOYSA-N 472.588 4.081 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)CC1 2323858438 WOXDSYQHTWOKCX-UHFFFAOYSA-N 471.029 4.180 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 31660050 ZSNPEHWYMILQJM-DEOSSOPVSA-N 498.898 4.445 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(Br)ccc1OC 33311575 ISKRPBWKLRSBMJ-GZTJUZNOSA-N 488.334 4.352 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33723729 QGVAVSYZVLVCSN-JQSQVVPISA-N 464.616 4.349 10 10 JICE CCOC(=O)c1sc(N2N=C(C)/C(=C/c3ccc(OC)c(Br)c3)C2=O)nc1C 103676175 RXFIXCFHOUBBAQ-JYRVWZFOSA-N 464.341 4.205 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 214756068 MJUNYLZMHKBYMS-QGOAFFKASA-N 457.533 4.224 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1862301949 OSFQGLOSGIBWHL-DEOSSOPVSA-N 495.982 4.178 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008608 ODVWUURJXPQBMK-DEOSSOPVSA-N 488.588 4.103 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869082736 ISUXZLSVKUOZKL-NRFANRHFSA-N 495.631 4.249 10 10 JICE O=C(N[C@@H](C(=O)O)c1ccc(N2CCOCC2)cc1)OCC1c2ccccc2-c2ccccc21 1951385140 FPFYYHFMUJQYBS-RUZDIDTESA-N 458.514 4.188 10 10 JICE CN(C)c1ccc([C@@H](O)[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2008878910 JYIKZFAHRJZCHV-SHQCIBLASA-N 460.530 4.168 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079993264 PKRPMIUNHQLZGL-MRXNPFEDSA-N 458.296 4.269 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc(N)c2C1 2163172173 NMBJKAXSSJWULG-ZWKOTPCHSA-N 472.630 4.255 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228102 GZWQRMWJOQZOSK-QFIPXVFZSA-N 470.554 4.450 10 10 JICE CN(C)c1ccc(C=C2N=C(c3cc(I)ccc3Cl)OC2=O)cc1 2297453408 YKUPSERXMKCFSV-UHFFFAOYSA-N 452.679 4.355 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297560018 BZXKQUXSLDKDFX-UHFFFAOYSA-N 451.276 4.371 10 10 JICE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Cl 2313549310 SNWBYPVDSSDLMZ-UHFFFAOYSA-N 464.861 4.361 10 10 JICE Cc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)s1 2314487200 FIRIOPWIDYCOKH-UHFFFAOYSA-N 452.586 4.347 10 10 JICE COc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1Br 2314760697 XWLSMHKBTOSKCP-INIZCTEOSA-N 464.362 4.485 10 10 JICE COC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2314769020 NJHIIFOFZUTINS-UHFFFAOYSA-N 472.975 4.021 10 10 JICE O=C(c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21)N1CCOCC1 14461037 IXXNHMYMMNQSPZ-ZDPZECHZSA-N 455.352 4.454 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)cc1OC 16908177 ICXPEQNVUKIIGJ-XSFVSMFZSA-N 473.572 4.001 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 33323845 FYNCVXFWDMRGIH-XDHOZWIPSA-N 456.545 4.044 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 96450605 HVGCOTLJYVYVCE-QEEMYTIHSA-N 496.570 4.253 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=N)N21 96460632 BKHBYOGVFPSSMJ-WKWHHHHXSA-N 476.967 4.247 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 210717833 QPSJIIAMAIEGJW-XSFVSMFZSA-N 472.588 4.420 10 10 JICE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 248083668 VXWVITFSEODFPM-NLFFAJNJSA-N 463.603 4.295 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Br)CC2)cc1 326747613 WMOLXGLTVXKNMP-UHFFFAOYSA-N 454.162 4.183 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OC 1084212123 DXZVSKFIDKLMJG-GDNBJRDFSA-N 473.323 4.140 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359359777 ADCIKTXOHZLDIV-DEOSSOPVSA-N 466.674 4.066 10 10 JICE CCCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC)C(=O)O 1860759093 SWOUMHPMXAEEOB-OAHLLOKOSA-N 480.970 4.252 10 10 JICE COC(=O)c1c(NC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)sc(C)c1-c1ccccc1 1866067817 BCBXRYUBIKSCRU-UHFFFAOYSA-N 476.510 4.375 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C)c2ccc(OC)c(OC)c2)n1 1869138504 NNPGWAZCKCAJNR-UHFFFAOYSA-N 463.582 4.159 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869158957 SMUZSUXEAQTPGO-UHFFFAOYSA-N 473.621 4.402 10 10 JICE O=C(N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@H]1C(=O)O)OCc1ccccc1 1952774361 GRYGKDMNRLTTFT-SCLBCKFNSA-N 485.128 4.143 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079952853 OIPAQXIQKAPAHY-KRWDZBQOSA-N 455.340 4.278 10 10 JICE CC(C)(C)OC(=O)N1CC(c2nc(=NCc3cc(Cl)cc(Br)c3O)s[nH]2)C1 2296463194 XXTLQNFLBVOQCR-UHFFFAOYSA-N 475.796 4.028 10 10 JICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OCC 2296908821 SDSFXKRZXQANGK-UHFFFAOYSA-N 486.908 4.185 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(OC)c3)C(=N)N12 2297333819 WEIVBCRTNARSSV-UHFFFAOYSA-N 472.573 4.306 10 10 JICE O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2297334634 GKPNJUSTIGGLPY-UHFFFAOYSA-N 477.860 4.494 10 10 JICE COc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 2297346637 ZJMBSWZYRICPCC-UHFFFAOYSA-N 467.772 4.378 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2297468677 YYXWBHWQHLBWDU-UHFFFAOYSA-N 455.536 4.483 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c(C)c1 2313545723 AUBWHIAMTWOXKT-UHFFFAOYSA-N 474.380 4.090 10 10 JICE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1 2314832912 OBYGGANZUNBNAO-MRXNPFEDSA-N 492.500 4.247 10 10 JICE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccc(OCCC(=O)O)c(OCC)c3)S2)cc1 16920103 LKUJIQLIILEJKU-XSFVSMFZSA-N 484.530 4.198 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c(OS(C)(=O)=O)c1 37422397 CMWCIXQNJMEAPY-UHFFFAOYSA-N 474.554 4.446 10 10 JICE Cn1ccnc1[C@@](O)(CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 105569967 GNTKTXKYIFGSKK-UPVQGACJSA-N 469.463 4.325 10 10 JICE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084097645 MGABZNLCFCWYJP-AQTBWJFISA-N 465.849 4.213 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3COCc3ccccc3)cc2)CC1 1447715153 VERFQOPLGKPUSL-UHFFFAOYSA-N 457.574 4.002 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)cc2)CC1 1466881834 FFVHDYCZIUONDX-HHHXNRCGSA-N 455.602 4.388 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864021194 MTLFTUOHNMWGQV-JOCHJYFZSA-N 480.609 4.214 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030636 NKTLEGICHQKLDZ-JKSBSHDWSA-N 482.625 4.102 10 10 JICE CCCC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665635 DWWHDBSGONUYER-HAVVHWLPSA-N 481.568 4.127 10 10 JICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N(C)CCc2cnc[nH]2)n1 1868386906 LGKMETNLAWHFSC-UHFFFAOYSA-N 466.545 4.350 10 10 JICE CCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871721067 XFWBFKDSFVDJGK-UHFFFAOYSA-N 477.613 4.070 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166983 NJFKNFUNCNFVSY-UHFFFAOYSA-N 492.620 4.041 10 10 JICE Cc1ccc(CCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873893408 BPARMNIBPGJFJA-UHFFFAOYSA-N 462.553 4.242 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)cc1 1874757325 PETYGSUUCRCCBF-UHFFFAOYSA-N 488.544 4.251 10 10 JICE CCC[C@H](C(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccccc1 2040490626 OTQLDBZDYUATHF-SFHVURJKSA-N 468.600 4.317 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H](CN)c1ccn(Cc2ccccc2)n1 2199615808 PSINMYBCLFSXIW-RUZDIDTESA-N 461.610 4.409 10 10 JICE CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 33689994 GLNXJMXOSZHXOM-XSFVSMFZSA-N 457.573 4.081 10 10 JICE Cc1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c(C)n1-c1ccc2c(c1)OCCO2 106016818 AUMSGIOJJFSWKY-NRFANRHFSA-N 461.566 4.161 10 10 JICE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873164552 HDSRSIWCRSKDML-UHFFFAOYSA-N 450.627 4.296 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873165137 DIHCRQKPPAQAMW-UHFFFAOYSA-N 461.537 4.139 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(C(F)(F)F)c3)CC2)cc1 1873533346 ZRGOIWCTUUKMFN-UHFFFAOYSA-N 481.478 4.135 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047726 OIFGVVIPBLTVRB-CQSZACIVSA-N 466.241 4.402 10 10 JICE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)c(Br)c1 2296835663 LOERHRYBPBVMIB-ZDUSSCGKSA-N 496.360 4.147 10 10 JICE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 2297470728 DJEFBAJWQZHMFP-UHFFFAOYSA-N 488.617 4.288 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 2313681348 CDBIXWDAZVWUIF-UHFFFAOYSA-N 454.939 4.279 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2314507873 LZNXBRAYJRYCGY-KRWDZBQOSA-N 493.610 4.484 10 10 JICE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314831672 PQWRWMNRRKTVDK-UHFFFAOYSA-N 475.419 4.346 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314831909 VMYYZPPWAIABQN-UHFFFAOYSA-N 457.533 4.224 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccc(Br)cc1 2332141007 BEDVGRBOAWIBHX-UHFFFAOYSA-N 498.211 4.477 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl 2239421 CLNRXWIYEDCSAB-GZTJUZNOSA-N 450.834 4.273 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33351655 PAYWCPJDVHPVJD-LDADJPATSA-N 450.589 4.164 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 33557516 BABFRVITDLMPEW-GHRIWEEISA-N 487.990 4.378 10 10 JICE CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(I)cc3)C2=O)cc1 33739057 VUJHVHHFKJJRRT-BOPFTXTBSA-N 479.343 4.463 10 10 JICE O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C(c1ccccc1)c1ccccc1 40851541 GWDGVUSRZSLAMH-STZFKDTASA-N 474.563 4.480 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 47133644 PSWNZFMBFKLHOF-BOPFTXTBSA-N 450.545 4.193 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 62060751 JUJCJGUWPORSMI-RGVLZGJSSA-N 456.633 4.229 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]23)cc1 105493136 UGTUXGGAZIUKFL-VABKMULXSA-N 457.526 4.208 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210683000 OHIGVDNDGGBGBY-HMMYKYKNSA-N 484.599 4.441 10 10 JICE Cc1cc(C=CC(=O)N(C)Cc2nc(O)c3ccccc3n2)c(C)n1-c1ccc2c(c1)OCO2 2040488543 TVKLQZSIHGHLSD-UHFFFAOYSA-N 456.502 4.143 10 10 JICE O=C(NC1CC1)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1Br 2079235127 OLJJAOMLADIVJK-UHFFFAOYSA-N 472.183 4.329 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C=O)c2I)c(O)c1 2080002413 XKJJDUQIMKINNH-GOSISDBHSA-N 452.292 4.281 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cc1I 2124513251 QRABPBPMOHRITE-NSHDSACASA-N 471.299 4.411 10 10 JICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)cc2Cl)CC1 2220634263 QTLYCYIFWZJSJC-UHFFFAOYSA-N 469.026 4.093 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1 2294279986 NOTNTTHVNJPNMO-UHFFFAOYSA-N 463.471 4.003 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296540748 NDHGMDHSANDEMQ-ZACQAIPSSA-N 470.664 4.485 10 10 JICE COc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl 2297346406 VHOZTIROHLHBKT-UHFFFAOYSA-N 467.772 4.378 10 10 JICE CC1=CC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4F)c(Br)c3)C(=N)N2O1 2297347715 WHFYSJHIOXULPE-UHFFFAOYSA-N 470.254 4.258 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1Cl 2297352662 KFFJVZIWXJYBTJ-UHFFFAOYSA-N 482.997 4.429 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2297461315 REDGWWOEJNDMMA-UHFFFAOYSA-N 462.531 4.461 10 10 JICE Cc1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2307454220 GAOGFCKFVKHPRE-SFHVURJKSA-N 493.398 4.189 10 10 JICE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 2313549483 XNCHFRZDMWKZIZ-UHFFFAOYSA-N 492.915 4.481 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831303 IAUCZQGLCHVXSB-UHFFFAOYSA-N 458.561 4.117 10 10 JICE Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)n12 2323865978 BMPWHECSBKJBTB-ZDUSSCGKSA-N 463.993 4.255 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Br)cc1 33326921 XMJXKHRGVOUMHN-LICLKQGHSA-N 491.388 4.408 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccc(F)c1 35962112 ZBOZJRZFUFUEOO-XMMPIXPASA-N 496.970 4.284 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 40888486 KAHWQILDGUBRFQ-ZHZULCJRSA-N 457.573 4.429 10 10 JICE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc5ccccc45)C(=O)N=C3O)o2)cc1 59861937 GIQQSJSPKNJPRU-ZHZULCJRSA-N 487.493 4.254 10 10 JICE O=C(O)c1ccc(S(=O)(=O)O)cc1N1C(=O)/C(=C\c2ccccc2Cl)N=C1c1ccccc1 83326051 POQQILIJMMTKCQ-XDHOZWIPSA-N 482.901 4.119 10 10 JICE N#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccc(O)cc4)c(O)c3O)cccc2c1O 104847778 BUMXRXXEAWKICQ-UHFFFAOYSA-O 479.446 4.145 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccco4)c4ccccc34)[C@@H]21 504388746 ABZHBZAQTACQCJ-AREMUKBSSA-N 454.530 4.088 10 10 JICE biogenic CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C1=O 1084525893 WLKBKUBAWGBPDY-UNOMPAQXSA-N 496.361 4.273 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)[C@H](C)C1 1359383795 IPNKGWRUBZHJSJ-OAQYLSRUSA-N 478.641 4.225 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@@H]2CCOc2ccc(C3CCOCC3)cc2N1 1616059117 SKQUEMHRNUNNOQ-YADHBBJMSA-N 466.578 4.241 10 10 JICE CCNC(=S)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 1860667712 JGXPWJVVQPQCAD-KRWDZBQOSA-N 459.637 4.445 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4cc(Br)ccc4c3=O)cccc21 1866455905 DDBMJJDFFAWFQJ-UHFFFAOYSA-N 473.282 4.318 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccccc4)on3)c3ccccc3)CC2)cc1 1868754287 VIVLQANBTBFFQQ-MHZLTWQESA-N 496.567 4.170 10 10 JICE CC(C)Cn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871033326 LNGYCCRIOORHIZ-UHFFFAOYSA-N 490.604 4.098 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474405 BLGVTRLMGRCSAN-UHFFFAOYSA-N 481.604 4.293 10 10 JICE COC(=O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)c(OC)c1 1872874573 QGEWADSPHYVQFA-UHFFFAOYSA-N 490.556 4.032 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873164293 URMICQVTKVAZRT-UHFFFAOYSA-N 470.617 4.306 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O 1873165961 YFRXNIXDXYHXPX-UHFFFAOYSA-N 496.611 4.144 10 10 JICE C[C@@](NC(=O)OCc1ccccc1)(C(=O)O)c1cc(Br)cc(Br)c1O 1951727389 WLTIJUAOEDDVJS-KRWDZBQOSA-N 473.117 4.143 10 10 JICE COc1cccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 2293294597 IEISXOWVOJUFJA-UHFFFAOYSA-N 481.508 4.395 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1 2296881388 FARPJYUVSMIAAQ-UHFFFAOYSA-N 469.569 4.255 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314506119 AZUSMNHCVSEZBF-QGZVFWFLSA-N 493.610 4.484 10 10 JICE CS[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381137698 PTLHPCXJPGWDCT-IUODEOHRSA-N 461.422 4.066 10 10 JICE COc1ccc(-c2nc3ccccc3c(=O)n2NCc2cc(Br)ccc2O)cc1 27532152 ORXMYMHPIDTBNH-UHFFFAOYSA-N 452.308 4.284 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 33438282 GYUSDSUBSICHNY-JXAWBTAJSA-N 456.637 4.385 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(=O)c1ccco1 33457192 XNOBMFWVSOJRHR-WJDWOHSUSA-N 497.301 4.121 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCCC2)SC1=S 33812483 MDEDNBLFDBWRFA-RGEXLXHISA-N 458.653 4.337 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 33888673 ULXBGQGVAUPDHV-GUBFPNNNSA-N 494.642 4.006 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Br)cc3)c3ccco3)CC2)cc1 38598220 PMCUWLYTDZEKPS-JOCHJYFZSA-N 484.394 4.344 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152288 UMDQRGZJDZEHSE-SDXDJHTJSA-N 493.607 4.118 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 96450469 HBVKSXYPNPACGX-CYPXAJCBSA-N 482.587 4.401 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 103917273 YOHJDTVANXGBKL-RCCKNPSSSA-N 483.525 4.340 10 10 JICE Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1C 1084465097 ZGHOMWVQBNYTFG-YBEGLDIGSA-N 474.380 4.090 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(Cl)cc1 1860757947 CRFDCYNXFSAKKQ-PIGZYNQJSA-N 480.970 4.108 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033062 QWACNHIUSDQOBM-SBUREZEXSA-N 488.588 4.107 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3[nH]2)N2CCCCC2)cc1 1866171111 BJXSPXOZIZIJMU-HSZRJFAPSA-N 497.437 4.314 10 10 JICE CCCn1c(C(=O)NCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572459 HXVWNHAVYSOUFK-UHFFFAOYSA-N 484.604 4.107 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)cccc21 1874016957 IYQFBTQXMUSCAI-CQSZACIVSA-N 489.325 4.216 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(C4CC4)[C@@H]3c3ccccc3)cccc21 1874179173 RSSYXOXGUOVHQO-SQJMNOBHSA-N 450.494 4.153 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1[N+](=O)[O-] 2295356031 GBICNOKNFDPXHR-XKZIYDEJSA-N 488.500 4.272 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N(CCO)Cc1ccccc1 2296755505 FVEDGQNAIDPTKO-UHFFFAOYSA-N 475.035 4.343 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2296885107 CWNOCJLIWRDJLY-UHFFFAOYSA-N 472.588 4.333 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)OC 2297512852 FSXZSXWNFIMDNY-UHFFFAOYSA-N 472.588 4.109 10 10 JICE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990381 IKOLHHLDSUYMMP-UYRXBGFRSA-N 458.653 4.286 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1 59860100 DWESLQKYIBGKHC-AUWJEWJLSA-N 459.252 4.083 10 10 JICE COc1ccc(-c2c(C)oc3c(CN4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1 136765799 NRCKMRJQPMCRBH-UYAOXDASSA-N 484.552 4.264 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210721722 IAUCZQGLCHVXSB-XDHOZWIPSA-N 458.561 4.117 10 10 JICE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)C)CC1 1705653204 BUAJCEJEOZOKHH-UHFFFAOYSA-N 462.667 4.249 10 10 JICE Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860591711 ZKPWWZHHYAHTPY-UHFFFAOYSA-N 482.536 4.027 10 10 JICE COCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420958 ZNKATXIJVUSADS-UHFFFAOYSA-N 469.545 4.199 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)NC2=S)c(C)c1 2293763611 SZTRJQNGFAMBIK-UHFFFAOYSA-N 460.511 4.401 10 10 JICE CN(C)c1ccc(C=C2SC(=O)N(CNc3ccc(I)cc3)C2=O)cc1 2297297124 VUJHVHHFKJJRRT-UHFFFAOYSA-N 479.343 4.463 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 33526253 ARKCFLQVLUVZBH-RGEXLXHISA-N 486.663 4.375 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(C(F)(F)F)cc3)C2=O)c1 62060643 LNXOVLWYSKBMQK-SFQUDFHCSA-N 466.506 4.345 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865032421 CBHACANOVFSGGP-QHCPKHFHSA-N 488.588 4.252 10 10 JICE CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867407222 SQZZLNQWPJSYOF-DNQXCXABSA-N 471.045 4.258 10 10 JICE CC(C)[C@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868143182 QFYIHWKJFQFQEW-QFIPXVFZSA-N 472.516 4.486 10 10 JICE CC(C)OC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870910690 HYUXDYOSCQUZIO-UHFFFAOYSA-N 492.620 4.486 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165068 AQUYGPCBBDDRBO-UHFFFAOYSA-N 457.578 4.062 10 10 JICE CCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1873547240 MYQAAZDFEJJUPD-UHFFFAOYSA-N 478.641 4.439 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccs1 1873863183 JCNNALKIVRMEKC-UHFFFAOYSA-N 454.555 4.342 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O 1874179305 XKWDLJSDCCDOAW-UHFFFAOYSA-N 464.477 4.253 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(CO)c2I)c(O)c1 2079875802 ZOVISYNLXUILIW-HNNXBMFYSA-N 464.250 4.021 10 10 JICE O=C1OC(c2ccccc2Br)=NC1=CNc1ccc(Br)cc1C(=O)O 2297295734 MIKOVXIVHHSRFQ-UHFFFAOYSA-N 466.085 4.167 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 2297347634 PKDHYMRMBHRNAU-UHFFFAOYSA-N 488.319 4.189 10 10 JICE CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 2297555692 DJAPXYCNFWSGKB-UHFFFAOYSA-N 459.546 4.480 10 10 JICE COc1ccc(O)c(CNc2cc(I)cc(I)c2)c1 690409962 SPDRARKQPVCJDH-UHFFFAOYSA-N 481.071 4.222 10 10 JICE NC(=O)c1ccc(CN(C2CC2)[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913098667 CZYLKBUEIOTNSF-XMMPIXPASA-N 467.529 4.497 10 10 JICE CCCCc1ccc2[nH]c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866516064 JANHTSYSPQPAAA-VWLOTQADSA-N 457.578 4.190 10 10 JICE CC(C)(NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867233540 SOPVWNCTXRADBL-MRXNPFEDSA-N 480.520 4.056 10 10 JICE CCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167477 JBFBNRMFPRXPGH-UHFFFAOYSA-N 462.638 4.440 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)cc1 1874747622 RNLRNWKHYLNQIF-UHFFFAOYSA-N 489.528 4.218 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079063972 QRHAQYLUWVQJQD-CQSZACIVSA-N 462.234 4.225 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2294229247 AWGGUJXPOMWILD-UHFFFAOYSA-N 498.314 4.449 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296721773 SXJKDJHGTMPPLN-INIZCTEOSA-N 456.637 4.239 10 10 JICE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2296732297 SCBXHWXOXOXTCP-UHFFFAOYSA-N 464.616 4.472 10 10 JICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1C 2297352882 VVXCBUPVMZPQRQ-UHFFFAOYSA-N 489.601 4.434 10 10 JICE COc1ccccc1OCCOc1ccccc1C=C1C(=N)N2N=C(C(C)C)SC2=NC1=O 2297463233 RMKXVXHXGMABNI-UHFFFAOYSA-N 464.547 4.428 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)Cc3cccc4ccccc34)C2=O)cc1OC 2314414053 SGLXTGFKFRPUHT-UHFFFAOYSA-N 464.568 4.332 10 10 JICE Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 9778838 VKFCDYWGLGRVSW-GOTSBHOMSA-N 459.933 4.467 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NCC(C)C)nc12 33351699 BWKNBKGAOQJNAV-XDHOZWIPSA-N 464.616 4.472 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(c5nc6ccccc6nc53)C4(C)C)CC2)cc1 33756488 AYDKZHDXAVUTQP-WUFINQPMSA-N 456.590 4.316 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NCc3ccco3)nc12 33780934 RWJIFHQLFQOMQU-PDGQHHTCSA-N 466.588 4.352 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 39869927 KTJNJGHCQPJVRM-VCHYOVAHSA-N 479.426 4.334 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCc2ccc(O)cc2)cc1 205965288 BUXNBKQTDAOGGV-XIEYBQDHSA-N 457.530 4.267 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226649086 VBZMUSLGHQWUMJ-ZDQHKECQSA-N 464.562 4.448 10 10 JICE COc1ccc(N2CCN(Cn3nc(-c4cccs4)n(C[C@H]4CCCO4)c3=S)CC2)cc1 915795689 HDZAXRWPYWJJAG-HXUWFJFHSA-N 471.652 4.110 10 10 JICE OCCN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084233371 UZWRODMDHQMURU-UHFFFAOYSA-N 493.086 4.393 10 10 JICE O=C1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(C3CCOCC3)cc2N1 1616059109 SKQUEMHRNUNNOQ-FCHUYYIVSA-N 466.578 4.241 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1NN=NC1CCN(C(=O)OC(C)(C)C)CC1 1860491616 SJNXPIHUHOQOQC-UHFFFAOYSA-N 477.606 4.499 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 1860826554 HJXHJJVMTDSJEU-FYJGNVAPSA-N 493.610 4.024 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1872956246 GAMANWPAJSBGOR-UHFFFAOYSA-N 455.558 4.397 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C(C)C)C2=O)cc1 1873168477 WPOGDPBEZJYPET-UHFFFAOYSA-N 457.530 4.101 10 10 JICE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c(I)c1C(=O)OC 2079952148 DPVZLNCCUFOWSQ-KRWDZBQOSA-N 456.324 4.405 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2080005735 IEWONWYHLPRIBX-INIZCTEOSA-N 456.280 4.023 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C(=O)NC2=S)cc1 2294253430 QMHDBTPOZKMFOG-UHFFFAOYSA-N 490.541 4.151 10 10 JICE COc1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2296260199 VCINFJJKSXGZLV-UHFFFAOYSA-N 499.523 4.374 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cc(C)ccc1C 2296597359 OSXMZZSKCVEHMN-UHFFFAOYSA-N 490.512 4.025 10 10 JICE Cn1c(=O)n(C)c2cc(C=C3SC(=S)N(c4cccc(Br)c4)C3=O)ccc21 2297561557 KXZYGTXDIFADGO-UHFFFAOYSA-N 460.378 4.045 10 10 JICE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740304 GUKWADACQZDNTQ-UHFFFAOYSA-N 471.600 4.471 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 2314935020 MGVRAOHXXKNBKW-UHFFFAOYSA-N 459.545 4.353 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 16156166 KMTNZQVQXLDSLR-YBEGLDIGSA-N 476.274 4.072 10 10 JICE CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)CC(C)C 37423634 UZISCLQVFLJBDK-UHFFFAOYSA-N 491.654 4.497 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCOC)C2=O)cc1 39835930 ZYYWJOYZBYYBFD-XMHGGMMESA-N 481.599 4.205 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCSCc2nc[nH]c2C)cc1 102661113 YWODDDAXXAHJAM-HKOYGPOVSA-N 491.617 4.283 10 10 JICE Cc1cc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br 1083917528 CFIWARKGJSMCGI-UDWIEESQSA-N 493.361 4.286 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)c1O 1654962020 NZUSGCHYBODWEK-SFHVURJKSA-N 452.979 4.144 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1705682123 RJHCUSMGYGUBIC-LJQANCHMSA-N 497.441 4.224 10 10 JICE COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1OC 1857992438 SENFGOSRFGXHPW-UHFFFAOYSA-N 451.548 4.205 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858608983 XXVYCGZDKBGTMK-UHFFFAOYSA-N 462.527 4.270 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864013992 KUVVEYGMJWTIMX-HSZRJFAPSA-N 496.567 4.480 10 10 JICE CCN(CC)c1cc(C)c2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866473424 UUNMHPUDPSWCJE-RUZDIDTESA-N 486.620 4.002 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867973222 NAYQDICDVDICAP-OYRHEFFESA-N 459.594 4.092 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCCN(C)C)CC2)cc1 1870484654 QUQGZOUDIYKGBP-UHFFFAOYSA-N 496.696 4.090 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(Cl)c(C)c4)ncc3[N+](=O)[O-])CC2)cc1 1871307345 DFKIBVXBDNHCOT-UHFFFAOYSA-N 454.918 4.425 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873548814 LEAOXCCJBBIUDH-FQEVSTJZSA-N 476.625 4.049 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1892140910 ZCBCIQXSSWKDOH-OFVILXPXSA-N 493.604 4.223 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@H](C)c2ccc(C)cc2O)c1I 2079023326 PJHDUHMNOJNMDO-GFCCVEGCSA-N 454.308 4.339 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CCC2 2163162479 JFTFUKOYCLDETP-NRFANRHFSA-N 472.630 4.446 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)C(C)=O 2314926947 WBMHSGRPFWUEMQ-QGZVFWFLSA-N 457.529 4.243 10 10 JICE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1)C(=O)O 2314931033 LFTBJGPVVRMJDU-JTQLQIEISA-N 497.381 4.392 10 10 JICE O=C(O)CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 2494295 OMNMBRYWMDGTKS-UHFFFAOYSA-N 486.503 4.392 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 20680684 CHUYJGCQJNFOKE-WOIUINJBSA-N 475.408 4.297 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccnc4-c4ccccc4C)CC3)CC2)cc1 21654491 PYAYVIISNXRDGD-UHFFFAOYSA-N 498.627 4.267 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(-c4ccc(Br)cc4)noc3C)CC2)cc1 35536616 CLLLROFFNNKDGE-UHFFFAOYSA-N 456.340 4.384 10 10 JICE CCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 38940530 KWTJTBLYXAKYCQ-XMMPIXPASA-N 493.604 4.379 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526450254 KDCRQXUCTNPNQQ-XMMPIXPASA-N 463.486 4.489 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@@H](CN2CCCCCC2)C1 728745699 ISJHDIAVJJTFPY-FQEVSTJZSA-N 482.591 4.340 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccccc1 1860760007 OSUDBTQMGVNQKU-UHFFFAOYSA-N 466.559 4.206 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865027618 ZVSYNTRSZAPLSG-HSZRJFAPSA-N 494.567 4.133 10 10 JICE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)CC2=O)cc1 1865925784 RFOCGXKCBOXFRB-RDJZCZTQSA-N 498.601 4.218 10 10 JICE CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866938528 DKOWXXDIUWHPEM-VSKRKVRLSA-N 470.500 4.238 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970974 VYCWVJQGQQPYAZ-UHFFFAOYSA-N 482.588 4.174 10 10 JICE CC(C)OCCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870995676 PDGYZDCHYVYAOG-UHFFFAOYSA-N 481.593 4.017 10 10 JICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873426079 NGUGHQNOHBEFQJ-UHFFFAOYSA-N 481.556 4.261 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(OC)c1OC 2297307981 GNDYOEDEPJJPBG-UHFFFAOYSA-N 456.911 4.033 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297319195 OYFFXKVLLSVZJH-UHFFFAOYSA-N 454.236 4.079 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2297468929 YFIKVOZRZSCYSR-UHFFFAOYSA-N 499.552 4.215 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1C 2313547987 IFHWXXWTDOIXRO-UHFFFAOYSA-N 478.140 4.495 10 10 JICE COc1ccc(N2N=C(c3ccccc3)C(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 2332141511 ZYABPEFLNMOYDB-UHFFFAOYSA-N 457.442 4.209 10 10 JICE COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O 3464285 QEGIMWLJNLNPAK-QNPDVEALSA-N 455.337 4.434 10 10 JICE CCOC(=O)c1c(NC(=O)C[C@H]2SC3=NCCCN3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 64980973 CHVBTSJNPWXUMV-CZUORRHYSA-N 477.652 4.108 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 250949164 LMLVQVOIYWXYFS-BDTNDASRSA-N 489.886 4.483 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526465541 DVCGBSNHTGYNSG-QHCPKHFHSA-N 461.470 4.340 10 10 JICE CC(C)c1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)s1 1860347477 RBXWROWUJRLKQJ-DEOSSOPVSA-N 486.601 4.402 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(Cl)ccc4OC)n(C(C)(C)C)n3)CC2)cc1 1869970450 JLULBJLNGVMNGQ-UHFFFAOYSA-N 499.015 4.283 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccnc5)ncnc4n3CC(C)C)CC2)cc1 1875207665 APZQYLWDAZUBTC-UHFFFAOYSA-N 499.619 4.065 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2040867078 VKBXZUCQQMQLIO-ZDUSSCGKSA-N 451.909 4.119 10 10 JICE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163136733 WJKCZJJZUHCICC-LBNVMWSVSA-N 464.654 4.499 10 10 JICE O=C1C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2297467961 IHCODCPUZZVGDB-MRXNPFEDSA-N 483.546 4.006 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 2297469449 UFUTWZUBRWYGQG-UHFFFAOYSA-N 456.531 4.165 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837356 RFGBZYAFVZSBCR-CYBMUJFWSA-N 461.406 4.355 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)c4ccc(F)cc4)n3)CC2)cc1 13654293 BJMLUWVFAKSISJ-UHFFFAOYSA-N 485.606 4.157 10 10 JICE CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14743048 QLJCEWXLWNOPQK-VQHVLOKHSA-N 476.621 4.093 10 10 JICE Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1cccc(O)c1O)O2 15858868 IMTHENGNONMJKF-MHZLTWQESA-N 495.535 4.205 10 10 JICE CN(C(=O)CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 16922654 TVADWWYQCCPQIN-ATVHPVEESA-N 492.525 4.241 10 10 JICE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 100725704 HHAJCZXADJCZIE-WOJGMQOQSA-N 476.286 4.399 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 102470068 VXLQQFRNOXEBLP-VKXGLNTFSA-N 456.487 4.247 10 10 JICE CCOc1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 205947321 KMVSQFLBIXKHTG-KGENOOAVSA-N 450.520 4.347 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(CC(=O)O)cc2)C1=O 210494795 VKKRRDNGCNIDLZ-HZCNULMQSA-N 452.557 4.100 10 10 JICE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)sc(C)c1C 211913422 XHYGXPFIWUEAMT-MHWRWJLKSA-N 490.628 4.390 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ccccc4cc3OC(F)F)cc2)CC1 1138228795 KYVDDXVSXNLMON-UHFFFAOYSA-N 453.489 4.040 10 10 JICE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)[C@H](C)C1 1286877221 VISNGOAGLBKFRV-OAHLLOKOSA-N 477.059 4.294 10 10 JICE COc1ccc(N2CCN(C(=O)CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1 1858120835 BSCFXOJSNYKELQ-JOCHJYFZSA-N 478.618 4.097 10 10 JICE C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347211 BVBZQDBDFPNQCK-YGRUTGNNSA-N 456.590 4.483 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019116 GQFFYZXLWMCUGX-LHSJRXKWSA-N 496.995 4.168 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865026923 SYIWHIDWCFQKRR-QFIPXVFZSA-N 494.979 4.012 10 10 JICE CC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866573864 XDRSXHMYXDEANK-JOCHJYFZSA-N 479.536 4.409 10 10 JICE CC[C@](C)(NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868848396 KRCLDNSQQNMYBM-SQHAQQRYSA-N 469.601 4.208 10 10 JICE CCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868868155 KOKBSFQNSDRLHA-LOSJGSFVSA-N 484.040 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1 1868879073 UZUBMKIXTNHDIZ-IBVKSMDESA-N 481.612 4.037 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccc(Cl)c5)C4)nc(C)n3)CC2)cc1 1869297772 ZDRILBGVBNXLDH-DEOSSOPVSA-N 480.012 4.352 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164090 LKMRZIQUUKEYAS-UHFFFAOYSA-N 452.514 4.152 10 10 JICE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425616 IINXFFIMZRUMHH-UHFFFAOYSA-N 498.627 4.317 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079864533 WODPUHKFDKMMDI-CYBMUJFWSA-N 498.239 4.253 10 10 JICE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)c1 2296710741 XZIXEPGBAUPSIF-UHFFFAOYSA-N 465.600 4.269 10 10 JICE CCCCCCOc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 2296712326 YQQDBQMOJDXVLT-INIZCTEOSA-N 469.650 4.043 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1O 2297556218 SAWRJMBQYDOOOS-UHFFFAOYSA-N 495.782 4.347 10 10 JICE O=C1C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314432539 BQWIKKLWBZUZPJ-GHTZIAJQSA-N 469.609 4.135 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468749 IVYJJTADMLLOAS-GLDPYIMESA-N 456.564 4.135 10 10 JICE CCN(CC)c1ccc([C@H]2N(C(=O)C(F)(F)F)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 20070087 YBAJZEIEQTUPJF-DYESRHJHSA-N 483.556 4.324 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795998 UQESZEDGXYUMEA-GZTJUZNOSA-N 471.007 4.490 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c1 54620982 XTONMYPLAKZORO-QFIPXVFZSA-N 457.486 4.419 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccccc3Cl)sc2CCC(=O)O)cc1 1858035135 ROCJJASYTIZXLR-UHFFFAOYSA-N 452.941 4.290 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3O)C2=O)cc1 1860084065 BXDQIYDNYVIQIK-DEDYPNTBSA-N 456.589 4.354 10 10 JICE CCCCOc1ccc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862253577 YZZHPTDRFSUGKW-XMMPIXPASA-N 497.636 4.130 10 10 JICE CCCC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868769029 ZWRGYYYPYRRNJK-CJFMBICVSA-N 469.601 4.037 10 10 JICE COc1ccc([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(O)c1 2140603782 SCYOMHFTNQAYAV-PZJWPPBQSA-N 455.599 4.173 10 10 JICE Cc1[nH]c2ccc(Br)cc2c1C=C1C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O 2297361868 JPFVEWJRGGJLEK-UHFFFAOYSA-N 472.339 4.205 10 10 JICE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2313526742 FWBKXSNCAFLNFZ-UHFFFAOYSA-N 478.549 4.375 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC 2313558807 KIFCCONJBUCIBU-UHFFFAOYSA-N 477.286 4.052 10 10 JICE CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2921581 VBMWBXRCOPCHPK-UHFFFAOYSA-N 476.602 4.225 10 10 JICE Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 33575885 FHRWSLHTVXBBQP-XQNSMLJCSA-N 469.497 4.467 10 10 JICE C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)OCC)cc3)N=C2C(F)(F)F)cc1OC 34780913 CPXYQBNPVMPFQY-QGOAFFKASA-N 472.419 4.232 10 10 JICE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1 96460624 WCCDUMJFUXHSQH-WZBMNHFVSA-N 488.616 4.387 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cccc(OC(F)(F)F)c1 205949240 WAKOEGOBTFSIDK-DEDYPNTBSA-N 463.412 4.246 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 207317080 BEVDOSLYXCCUPQ-LICLKQGHSA-N 468.535 4.332 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)sc2c1 208741912 LNLZABKKSWKEFU-LZYBPNLTSA-N 459.549 4.284 10 10 JICE COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4Br)cn3)CC2)cc1 1858419852 QZFXRNXJQIGUDS-UHFFFAOYSA-N 467.367 4.432 10 10 JICE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCC(=O)N4C)C2=O)cc1 1860087759 RYBKLECBPDYVMR-UDWIEESQSA-N 453.589 4.294 10 10 JICE COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860553814 WKAQFVAJGRTFMH-UHFFFAOYSA-N 491.503 4.299 10 10 JICE O=C(CCNCc1ccc(Br)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860715202 PEKQONRRPAXEKI-UHFFFAOYSA-N 481.321 4.482 10 10 JICE COc1ccc([C@@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866981923 ZVIGJYYWBVSHCV-OSPHWJPCSA-N 484.552 4.354 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867778543 UOWPANMUUAXRGC-WDYNHAJCSA-N 498.671 4.437 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCOc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970947 UQBGFMNSGMSNMJ-UHFFFAOYSA-N 498.587 4.010 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873549798 ZIFWOSDCVLDTBL-OYRHEFFESA-N 490.652 4.295 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc5c(c4)OCO5)cc3)CC2)cc1 1874745581 YBUMDJABEUCWJT-UHFFFAOYSA-N 488.540 4.038 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124506919 CLVCUIZHQBUQEM-HXUWFJFHSA-N 456.591 4.095 10 10 JICE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOCCOc1cccc(C)c1 2293441543 DNOWQJABYSQJIS-UHFFFAOYSA-N 459.589 4.309 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1 2294199189 AVWGKFNQODJPGB-UHFFFAOYSA-N 498.539 4.250 10 10 JICE C[C@@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836405 DYVFYJQSEFBAHQ-NSHDSACASA-N 463.378 4.383 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314837017 NBBJAHUQMDLNMT-HNNXBMFYSA-N 454.573 4.400 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccccc3OC)C2=O)cc1 2321677286 FNDQGVYGUUNYDI-UHFFFAOYSA-N 456.589 4.348 10 10 JICE COc1ccc(CNC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331594889 OFCVJESBGFUUMH-UHFFFAOYSA-N 470.616 4.248 10 10 JICE O=C(Oc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc1)c1cccc([N+](=O)[O-])c1 2983343 PBQDROIIWFOZBW-DEDYPNTBSA-N 473.466 4.486 10 10 JICE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccccc2O)cc1 21659001 TYGSLBCEKSPZPY-HSZRJFAPSA-N 464.525 4.224 10 10 JICE COc1ccc(N2CCN(c3ncnc(N(Cc4ccccc4)c4ccccn4)c3N)CC2)cc1 40727901 CYTBKTQRVMAYRT-UHFFFAOYSA-N 467.577 4.127 10 10 JICE Cc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 59087172 TUZHFBKVXLMVFF-UQQQWYQISA-N 484.556 4.433 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 59679389 OKZKPKZNNUZGEI-JAIQZWGSSA-N 477.904 4.421 10 10 JICE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226692616 XUTQEYGCSFHVTE-JLHGSKIFSA-N 475.954 4.096 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526543474 VDNAHOTWARTZPS-JOCHJYFZSA-N 455.413 4.450 10 10 JICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 1614015094 ZGSHKWQLBLCJLV-AUWMVOPPSA-N 494.642 4.148 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(C)cc(C)cc4C)n4ccccc34)CC2)cc1 1858227492 APTUYBUYLNNBIZ-UHFFFAOYSA-N 497.599 4.483 10 10 JICE CCCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865840088 CXOZUHCSDFNBBI-NRFANRHFSA-N 496.519 4.264 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873166466 QNTCATSDCPVATC-VWLOTQADSA-N 469.585 4.185 10 10 JICE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1Cc1ccc(O)c(O)c1 1906095618 FPZDQCRDOCDLTI-VGOFRKELSA-N 459.498 4.222 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294037498 LNXKWXODUCICNF-UHFFFAOYSA-N 450.535 4.209 10 10 JICE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1 2297349905 WYQKHIZSINUKDD-UHFFFAOYSA-N 477.860 4.494 10 10 JICE COc1cc(Br)cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O 2297366291 PTYLJYONPXRPEF-UHFFFAOYSA-N 467.322 4.477 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1cc(O)nc2ccccc12 2297497705 PGRCFHFTYDOIEN-UHFFFAOYSA-N 486.372 4.249 10 10 JICE O=C(CN1C(=O)SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 2297560203 YSBFVZBLCDKCSO-UHFFFAOYSA-N 484.509 4.399 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 2320656351 JUJCJGUWPORSMI-UHFFFAOYSA-N 456.633 4.229 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 210719933 OQHIRQMDVAFLDV-XMHGGMMESA-N 470.572 4.189 10 10 JICE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 1084519228 XROYCMFOUYXECN-RGEXLXHISA-N 478.888 4.091 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)CC1 1858591187 BMPWIHRUKHEUTM-XNTDXEJSSA-N 473.389 4.410 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864018469 LRMXVCFEXBXLMU-OXJNMPFZSA-N 456.587 4.046 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025681 BNEBRNCTKOCYHV-QFIPXVFZSA-N 494.979 4.012 10 10 JICE CCc1cccc(C)c1N1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865924208 YUUYLIUGWCHCIV-AZGAKELHSA-N 476.665 4.320 10 10 JICE Cc1cc2oc(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(C)c2cc1Cl 1866296010 YCZAALUNAQACDU-QFIPXVFZSA-N 464.953 4.382 10 10 JICE CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866838916 CZZJUBJNCQEMIF-KSFYIVLOSA-N 472.516 4.313 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccccc3F)CC2)cc1 1870438759 WVMBRDKWUUEBHN-UHFFFAOYSA-N 479.596 4.401 10 10 JICE COc1ccc(Br)c(CN[C@@]2(C)CCCN(C(=O)OCc3ccccc3)C2)c1O 2227747627 CXBGMVJRWBSFHW-QFIPXVFZSA-N 463.372 4.444 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)c(C)c1 2293328939 IWNIHMIPYZJVBX-UHFFFAOYSA-N 474.538 4.490 10 10 JICE Cc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)cc1 2297312243 DUXWOUSSUPYMHS-UHFFFAOYSA-N 451.367 4.142 10 10 JICE N=C1C(=Cc2cccc(OC(=O)c3ccccc3F)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297498735 WVCREWULQZECFG-UHFFFAOYSA-N 462.384 4.226 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C1=O 2313545820 HYBFSRWDBNVKFR-UHFFFAOYSA-N 477.904 4.421 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)CC2)cc1 2329561275 PDPPBGXPRAGKHY-UHFFFAOYSA-N 475.633 4.349 10 10 JICE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@@H]3c2cccc(O)c2O)cc1 15858980 KGLNPJNQOABARV-HHHXNRCGSA-N 495.535 4.205 10 10 JICE COc1ccc(O)c([C@H]2Nc3ccccc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659086 CHZGGCLWVYVGFQ-XMMPIXPASA-N 494.551 4.232 10 10 JICE O=C1N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1c1cccc(C(F)(F)F)c1 38160246 JRPMUIJJHGRRBA-VJSYINPZSA-N 459.428 4.139 10 10 JICE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)Cc4ccccc4)C(=O)[C@H]23)c1 105512901 BUQUPBXEZGIWSE-PAWHMVCQSA-N 479.532 4.117 10 10 JICE CCN(CC)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313382 QIRZTHJGDBSXQZ-JOCHJYFZSA-N 483.615 4.299 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4Cl)n4ccccc34)CC2)cc1 1858229427 VQKWZCIKSYKKRR-UHFFFAOYSA-N 489.963 4.211 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865032046 UMSMGJVNBDLTMS-JOCHJYFZSA-N 488.588 4.469 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(N3CCCC3)ccc2[nH]1 1866555127 RRGUWDHQNAJIJI-UHFFFAOYSA-N 463.493 4.156 10 10 JICE CC(C)COC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870848800 MGAQNEODLSEPPK-UHFFFAOYSA-N 492.620 4.344 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3cccs3)C2=O)cc1 1873166676 WAJQXTZKVLXTSE-NRFANRHFSA-N 461.587 4.204 10 10 JICE CCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421532 CVAFIWFTGVLJOY-UHFFFAOYSA-N 457.530 4.483 10 10 JICE CCCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873575686 QGEZSIDETZUPDW-UHFFFAOYSA-N 498.631 4.415 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C(=O)O)c1I 2080047912 KYRRIHCSBNHOLG-JTQLQIEISA-N 450.223 4.445 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H]2CN=[N+]=[N-])CCN(Cc2ccccc2)CC1 2124507000 DRMFGPXXPSFBSK-HXUWFJFHSA-N 456.591 4.237 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 2297349609 CPRDPCGHWKYWHA-UHFFFAOYSA-N 486.571 4.022 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCCOc2ccccc2Cl)cc1 2297358002 ZKSISWGOZLTCMV-UHFFFAOYSA-N 476.916 4.460 10 10 JICE CC(C)Oc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33582001 IJXNXRXZUZXVST-QNGOZBTKSA-N 452.536 4.175 10 10 JICE COc1ccccc1-c1cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(N(C)C)cc2)n(C)n1 1616154959 QRMPWHSCDFLJHT-QQKQFIJSSA-N 459.638 4.129 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 1858587530 JCXRDQVTPFRCPZ-DEDYPNTBSA-N 458.580 4.474 10 10 JICE CCCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344950 JUNRKFLKHNUROV-UHFFFAOYSA-N 484.585 4.407 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4cccc(F)c4)CC3)cc2)c1 1860845017 GSCFVNKSXHRRAZ-UHFFFAOYSA-N 460.553 4.102 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864015899 GDNOEZOLYVFMTM-QHCPKHFHSA-N 496.567 4.301 10 10 JICE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)=C(N)O2 1865028767 ZZYSMYJYJRMEDP-VWLOTQADSA-N 496.567 4.063 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3ccc(Br)cc23)N2CCCCC2)cc1 1866017907 XPNDWMIYCRFACU-NRFANRHFSA-N 470.415 4.348 10 10 JICE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873578741 HNAFOLZYODSPAF-UHFFFAOYSA-N 478.641 4.343 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1F 2293847270 XNOSDONUVNZBLG-UHFFFAOYSA-N 468.325 4.305 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])c(Br)c2)C(=O)N=C2SC=NN12 2293993196 XKFDGKSPNNZDLJ-UHFFFAOYSA-N 486.307 4.185 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)N(C)Cc3cc(O)nc4ccccc34)C2=O)cc1 2296885483 WUVWVINAMCOBEG-UHFFFAOYSA-N 493.610 4.199 10 10 JICE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 2297349574 ZLFIZFXCACAZQO-UHFFFAOYSA-N 463.353 4.456 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2314509203 SXWYYXIZLJQTCY-SFHVURJKSA-N 493.610 4.484 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 40928269 XVSDFXUFVKBDDR-RVDMUPIBSA-N 458.399 4.479 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1 62694174 YMMQIFNUCHCTFH-UHFFFAOYSA-N 465.981 4.153 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565538464 GVMLBFRKNAMGFQ-NLFFAJNJSA-N 468.638 4.480 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421446 YNXFHNYCUYPIIQ-UHFFFAOYSA-N 497.643 4.448 10 10 JICE CN(C)Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1O 1952950655 MODWLWMPGBCBLB-UFHPHHKVSA-N 472.541 4.292 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079845190 QXWKBZSDBLJICQ-QGZVFWFLSA-N 470.351 4.381 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2079881167 SLUMIRDGTTXTIA-NSHDSACASA-N 480.249 4.316 10 10 JICE CSc1ncc(CNC(=O)c2cc(Br)ccc2I)s1 2269280816 OWOFBWHGYNTMCW-UHFFFAOYSA-N 469.167 4.162 10 10 JICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296709418 HZUANCGKECARJE-UHFFFAOYSA-N 474.567 4.301 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OC 2313548750 DXZVSKFIDKLMJG-UHFFFAOYSA-N 473.323 4.140 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1 2314831300 HZEFUKNEEAAQPN-UHFFFAOYSA-N 478.636 4.218 10 10 JICE CN(C)c1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 21854087 IMJPRINWWJHHDG-PMERELPUSA-N 493.611 4.347 10 10 JICE CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 1084308678 XNCHFRZDMWKZIZ-HKWRFOASSA-N 492.915 4.481 10 10 JICE O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccc(O)c(O)c1 1860169187 ILAMCTANQKFRMG-HHHXNRCGSA-N 499.567 4.132 10 10 JICE CCN(CC)Cc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860713981 YJYUJEIBCYDWCH-UHFFFAOYSA-N 469.585 4.422 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143766 ZVWQYVZZZSKBKW-UFCYUWOPSA-N 461.606 4.172 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864013774 FYXQIXNTDNRDJV-NRJQMVOHSA-N 482.625 4.292 10 10 JICE CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1865957017 PBQWIBJGLFZIRC-UHFFFAOYSA-N 482.558 4.232 10 10 JICE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875200353 NWVKXBFMDVANCK-UHFFFAOYSA-N 494.640 4.041 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2079864535 WODPUHKFDKMMDI-ZDUSSCGKSA-N 498.239 4.253 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2293520673 GZKUMTUMUYBWFQ-UHFFFAOYSA-N 492.915 4.473 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)NC1=S 2294229278 FRWAKJRUWHBCMQ-UHFFFAOYSA-N 466.360 4.380 10 10 JICE CCN1CCN(c2cc(C)c3cc(NC(=O)C=Cc4cc(OC)ccc4OC)ccc3n2)CC1 2297332730 PHAQBDGKGRNDKW-UHFFFAOYSA-N 460.578 4.354 10 10 JICE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 2297338851 YKHURMGWQNLHDZ-UHFFFAOYSA-N 477.286 4.052 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2297344139 KAHHZCFDFHUWPD-UHFFFAOYSA-N 466.852 4.430 10 10 JICE COc1cccc(OCCOc2cccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c1 2297499462 GRFMXJOFLOTHNK-UHFFFAOYSA-N 464.547 4.428 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O)C(C)=O 2314926984 WYNPPWMDGYDTSI-PXNSSMCTSA-N 455.557 4.460 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641798 XCTZBKXSXSHYCO-GLDPYIMESA-N 450.535 4.011 10 10 JICE CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nc(-c4ccccc4Br)n[nH]3)O2)cc1 21743309 GLPKFZHTDVGKQH-HNAYVOBHSA-N 460.401 4.080 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NCCc3ccccc3)nc12 33489177 ZLEBTAAXLZKLOW-XMHGGMMESA-N 464.616 4.267 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)CSCc3ccccc3)c3ccco3)CC2)cc1 56943676 PGEQCFVBQJQMPQ-XMMPIXPASA-N 465.619 4.201 10 10 JICE CCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 213167503 UNQYSKZCTNYJMG-LGMDPLHJSA-N 453.545 4.107 10 10 JICE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccccc1I 1084317138 PQSNAMPOYZDHOC-PXNMLYILSA-N 496.351 4.291 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5[nH]c6c(OC)cccc6c5C4)nc(C)n3)CC2)cc1 1869298074 HUDQHIQIXVPTIY-UHFFFAOYSA-N 484.604 4.173 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871728094 XSHWMICFZQCCTN-UHFFFAOYSA-N 483.620 4.015 10 10 JICE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 2053513764 VMOKQYDFUYHEPJ-CQSZACIVSA-N 462.505 4.318 10 10 JICE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080011500 ARZNJDPPOSNRCW-GOSISDBHSA-N 482.318 4.255 10 10 JICE COc1ccc(OC)c(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 2296049209 HTOLQDVHJQMGMM-UHFFFAOYSA-N 479.377 4.013 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)cc1 2297560536 MEOSZMGCPIDJMU-UHFFFAOYSA-N 477.498 4.393 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)C[C@H](C)O1 2314490589 ZDPGDOROYLNGEP-IRXDYDNUSA-N 474.648 4.235 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccccc3OC)C2=O)cc1 2323759338 MKWWFOQQXIFIAU-UHFFFAOYSA-N 470.616 4.344 10 10 JICE C=CCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33507173 CZNWHSZNKZZCMA-AQTBWJFISA-N 454.621 4.381 10 10 JICE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)CC1 35519089 PLNDGEZOYPQPCE-ATVHPVEESA-N 453.511 4.329 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 39990233 KXCPHKDRGRVUTM-BFURNPMBSA-N 488.679 4.053 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 102447544 BJBZCMWMTWJJFZ-WVIXDYEQSA-N 472.885 4.346 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526437077 MRNBJFZQQNHDKV-DEOSSOPVSA-N 461.470 4.375 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526466442 OLKPMWLZPOXRRT-DEOSSOPVSA-N 491.496 4.349 10 10 JICE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21 1462755023 JEIRVRXEIKKOPC-IBGZPJMESA-N 455.624 4.358 10 10 JICE CCOc1ccc(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858351974 QLGPFVLCOYYWIT-UHFFFAOYSA-N 456.546 4.371 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)CC1 1858591265 HLYBHSCOUHSBNL-YBFXNURJSA-N 459.593 4.009 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3C)c(C)s1 1859574406 KMKCMNPHZFERRX-UHFFFAOYSA-N 471.604 4.454 10 10 JICE COc1ccc(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860744410 VTQUFGPYAIUJKZ-UHFFFAOYSA-N 483.505 4.171 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccccc1 1860747589 PCMUOLYPPSJNMT-UHFFFAOYSA-N 452.488 4.206 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(F)cc1 1860759260 QTYGACOYXZWKMB-UHFFFAOYSA-N 470.522 4.042 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccccc1 1860760180 VCLZNERMDOWSLJ-UHFFFAOYSA-N 471.623 4.264 10 10 JICE CCC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868999641 PQJTZZDDGOEQFI-CYFREDJKSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970814 QQKGNWSBQJMCKI-UHFFFAOYSA-N 468.989 4.241 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873165864 UPCQWENXMLNBMW-UHFFFAOYSA-N 457.574 4.309 10 10 JICE CCN(CC)c1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)c(C)c1 1873537181 FBVQOPWYTFEYSD-UHFFFAOYSA-N 498.631 4.271 10 10 JICE CSc1cccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c1 1873902874 ZGWVGVLEVZMILG-UHFFFAOYSA-N 489.505 4.287 10 10 JICE CC[C@@H](c1ccc(C)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2079061508 XSDUOCMRXRWKSZ-JTQLQIEISA-N 450.223 4.225 10 10 JICE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2296546140 PLHXNYWMSAIYOY-UHFFFAOYSA-N 453.545 4.105 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 2296660152 KBSANFCWDJLOKN-UHFFFAOYSA-N 479.518 4.472 10 10 JICE O=C1N=C(O)/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc2c(c1)OCO2 1164129 FREQDZYSLHANNW-GIDUJCDVSA-N 468.263 4.161 10 10 JICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048045 IBUYAQXITAGGPI-SULWINFOSA-N 462.637 4.335 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1 33316243 GIOMCBIWAUOTJF-PDGQHHTCSA-N 474.425 4.359 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 33417620 VCIQHJGVGIJNHP-XSFVSMFZSA-N 472.588 4.333 10 10 JICE O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N=C3O)cc2)cc1 33457782 BFDJZPGVYOEFQD-BKUYFWCQSA-N 487.424 4.379 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=S 40939116 MOLCFXYRXHAORG-RVDMUPIBSA-N 458.399 4.392 10 10 JICE CCN(CC)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313384 QIRZTHJGDBSXQZ-QFIPXVFZSA-N 483.615 4.299 10 10 JICE CC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)=NN1c1ccccc1 1524702888 GRIYFYASBBZBOP-OSPHWJPCSA-N 452.986 4.416 10 10 JICE Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1857992171 MVQYOIIFRVZQIM-UHFFFAOYSA-N 458.484 4.127 10 10 JICE CC[C@H](C)[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466336 QKFUOLPVDJTQPB-NPMXOYFQSA-N 466.493 4.111 10 10 JICE O=C(Nc1nc(-c2ccccc2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860739232 YAJIHBLMMWYMOX-UHFFFAOYSA-N 453.479 4.163 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028384 SYVVJCWWJPZEHX-PEBXRYMYSA-N 494.979 4.198 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030821 RSWXMVMCJUKZKE-QHCPKHFHSA-N 490.604 4.167 10 10 JICE CC(C)OCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870791046 BFLVGVGACKNTCY-UHFFFAOYSA-N 451.567 4.390 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4cccc(C(F)(F)F)c4)ncc3[N+](=O)[O-])CC2)cc1 1871306031 VWBPMGWTDJYIAF-UHFFFAOYSA-N 474.443 4.482 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079031879 SVXWKMRSKPNPLD-OAHLLOKOSA-N 454.308 4.497 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cccc(Br)c2O)[C@@H](C(F)(F)F)C1 2163253816 LYMJJKXLCXTMEL-OLZOCXBDSA-N 453.299 4.290 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2314650354 BFTPPDYQUPOVJY-CYBMUJFWSA-N 485.461 4.485 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(N(C)C)cc1 9778227 TWTGJYUQHDJXPP-DHIUTWEWSA-N 459.933 4.467 10 10 JICE COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OC 20236496 ZOJSUIKJDNHJMX-OMDQEHPVSA-N 463.490 4.002 10 10 JICE Cc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(O)c1 20898532 ZCYNFQPAOGBJPH-HSZRJFAPSA-N 464.525 4.224 10 10 JICE COc1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1OC 23237536 DMTHNWABZQOPPU-OAQYLSRUSA-N 481.618 4.497 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 33920015 PJZZGHPYUVVZRS-QURGRASLSA-N 489.578 4.345 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 39836091 XKMCFSILARDVJA-XMHGGMMESA-N 497.598 4.042 10 10 JICE COC(=O)[C@H]1SC(c2ccccc2)(c2ccccc2)[C@@H](C(=O)OC)N1c1ccc(OC)cc1 96580370 DEALLQDWYUBIHY-DHIUTWEWSA-N 463.555 4.233 10 10 JICE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 103040742 WMIUXEMQFFYLTI-DJKKODMXSA-N 457.527 4.006 10 10 JICE COc1ccc(-n2c(C)nnc2SCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 746425892 KDYKXMJUADRDFF-UHFFFAOYSA-N 475.618 4.443 10 10 JICE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C(=O)c1ccc(F)cc1 1081112832 PGQJAUSUTKQLBL-ZROIWOOFSA-N 469.300 4.472 10 10 JICE CCCC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862247832 BKKOPFFFNNKQTA-SFHVURJKSA-N 450.004 4.048 10 10 JICE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016720 WHTFVNFSXYLWNZ-AOMKIAJQSA-N 482.540 4.070 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865031557 JOAATUJZUIRFKN-OAQYLSRUSA-N 476.577 4.324 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4ccccc4)n3)CC2)cc1 1869970515 MIWPCFLQSGPINH-UHFFFAOYSA-N 490.514 4.133 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccncc3)CC2)cc1 1870352174 IGVQFHQBRXVRAM-UHFFFAOYSA-N 476.621 4.047 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(OC(F)(F)F)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871305140 UWNDNANNPNKGBI-UHFFFAOYSA-N 490.442 4.362 10 10 JICE O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178981 FUTAQGDEFORFSK-UHFFFAOYSA-N 465.509 4.371 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 1874730179 QAJMLIIQTRDOEN-UHFFFAOYSA-N 489.528 4.218 10 10 JICE O=C1C(=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)SC(=S)N1CCN1CCOCC1 2053511491 WDDKVSVHEXNCQM-UHFFFAOYSA-N 489.550 4.060 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 2294229019 FGVIZCMJKVQWKB-UHFFFAOYSA-N 474.538 4.114 10 10 JICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296709469 VKECBDAQCCBXAG-UHFFFAOYSA-N 452.561 4.043 10 10 JICE O=C1C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2296724125 YESYMXWSXLIAPB-UHFFFAOYSA-N 483.018 4.350 10 10 JICE CCc1nnc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)s1 2296882492 WUEYQASQOGAEFI-UHFFFAOYSA-N 490.632 4.230 10 10 JICE CC[C@H](C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC 2297561472 DYIYZGGQWDWRIC-AWEZNQCLSA-N 472.588 4.427 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(CC)c3ccccc32)SC1=S 2314768371 KSUVRWAIMBPYFV-LJQANCHMSA-N 466.584 4.319 10 10 JICE O=C(CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 33436827 RJIJJMYGAYAKPR-HSNUIXJGSA-N 463.628 4.183 10 10 JICE COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206714598 XFHXCHIZTYXDOZ-SILNSSARSA-N 490.647 4.013 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 213190152 ONTKJMRFKCUQJL-ATVHPVEESA-N 499.545 4.000 10 10 JICE Cc1c(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1[N+](=O)[O-] 731059110 URBJMJCSHLPUOJ-UHFFFAOYSA-N 478.939 4.366 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)CC2)cc1 743294229 FNTSTVFEKDFTIO-UHFFFAOYSA-N 487.604 4.200 10 10 JICE COc1ccc(-c2csc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860744436 XOIGJXQOQLHSKT-UHFFFAOYSA-N 483.505 4.171 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865033536 BVLVDJBKBGXPKC-KRWDZBQOSA-N 496.530 4.312 10 10 JICE CCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867837424 AKLZMLSUJGAAJK-RPBOFIJWSA-N 468.617 4.134 10 10 JICE CCOCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164275 UBZYUBLQNVYQGI-UHFFFAOYSA-N 463.603 4.452 10 10 JICE COC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079928911 NGMOZEFABCBAJY-KRWDZBQOSA-N 454.308 4.295 10 10 JICE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1cccc(C(=O)O)c1 2294106379 AULHXJHNYAELDO-UHFFFAOYSA-N 470.268 4.149 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296540699 HRKTTYVRESJCHB-GJZGRUSLSA-N 456.637 4.095 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 2296753984 MDEWYMJWQAAVEL-UHFFFAOYSA-N 480.546 4.191 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296849729 HJDIOPIPAGEURW-LPHOPBHVSA-N 494.642 4.148 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1 2297311066 PEUYAYRUHCXDPX-UHFFFAOYSA-N 469.316 4.191 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1nccs1 2297449591 BNKDTXYGOOEWJM-UHFFFAOYSA-N 454.396 4.136 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 33685453 MYAZBOJRTNQOFJ-GHRIWEEISA-N 454.577 4.291 10 10 JICE CSc1ccc(/C=C\C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 96499066 PRHZUHHZZNPNCW-KAMYIIQDSA-N 457.507 4.379 10 10 JICE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CCC(N)=O)CC1 1705525519 LQNDADRCOZKPIN-UHFFFAOYSA-N 458.610 4.248 10 10 JICE COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 1858034866 DHLZLTKZVRJRLA-UHFFFAOYSA-N 464.543 4.026 10 10 JICE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(C)s2)c1 1859574025 JSOKMPLRDPOCAI-UHFFFAOYSA-N 473.576 4.166 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)nc1 1860344397 WLDZCZRCYUOAMB-UHFFFAOYSA-N 455.905 4.261 10 10 JICE CCN(CC)CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347183 AMFIYYWCUDMDPK-MUUNZHRXSA-N 487.648 4.026 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033253 VQDIUCNFMHCMHM-UZUQRXQVSA-N 488.588 4.001 10 10 JICE CCOc1cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675288 YVIIKJVOZCTFPL-HYARGMPZSA-N 467.541 4.273 10 10 JICE COC(=O)c1c(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 1866061154 JYSGZRKBUKIWPS-UHFFFAOYSA-N 494.573 4.422 10 10 JICE COC(=O)c1c(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccccc1 1866215595 FRXSIYIPSUJJPK-UHFFFAOYSA-N 462.527 4.064 10 10 JICE Cc1c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2cc(Cl)ccc12 1866293079 QPFSHUCWCVWEHY-OAQYLSRUSA-N 450.926 4.074 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869263640 KGAYVSMJHXIWRZ-IBGZPJMESA-N 480.012 4.357 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C1)C2 2174260037 XVDJZBGUUDQEAE-WGDIFIGCSA-N 472.630 4.446 10 10 JICE COc1ccccc1OCCOc1ccc(Br)cc1C=C1SC(=S)NC1=O 2293692857 RXDPNBAYWBPPTD-UHFFFAOYSA-N 466.378 4.404 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)c(C)c1 2296710713 SPYJNJMLWFBZBD-UHFFFAOYSA-N 465.600 4.269 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2297295606 MAXVGFSSQZQYJC-UHFFFAOYSA-N 463.924 4.184 10 10 JICE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2297350337 DBKLGOGRECKKFP-UHFFFAOYSA-N 477.860 4.494 10 10 JICE CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 660405 JIZKYLTUGTUTPI-ZHZULCJRSA-N 451.935 4.400 10 10 JICE CCOc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21658985 DFBQYBCXPWZXDK-QHCPKHFHSA-N 494.551 4.314 10 10 JICE CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 33299209 FWYBEPPQJLEZAP-UHFFFAOYSA-N 453.486 4.467 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 34377810 PLDYEHBJTHTKLV-UHFFFAOYSA-N 468.419 4.244 10 10 JICE Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)ccc2=O)cc1 35503759 RZCGGDOCNZVCRS-UHFFFAOYSA-N 481.600 4.301 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)cc1 59382542 DEOYJWHXYVZVBN-TZRRMPRUSA-N 465.505 4.307 10 10 JICE CCOC(=O)CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 59446070 LQMPAOHBLYZBTI-UKTHLTGXSA-N 467.394 4.188 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526437079 MRNBJFZQQNHDKV-XMMPIXPASA-N 461.470 4.375 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526505600 IDSJGIZWUBFDLM-DEOSSOPVSA-N 462.502 4.238 10 10 JICE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2ccc(Br)cc2)cc1 1858682420 RJENNRVXWHGYOV-UHFFFAOYSA-N 457.284 4.055 10 10 JICE CCC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232557 UQNBKQNWZIIFQP-XMMPIXPASA-N 488.028 4.141 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864014610 ZFFDQHZGQIDMJY-SBUREZEXSA-N 490.604 4.475 10 10 JICE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)sc(C)c1-c1ccc(C)cc1 1865943378 OVDNPMGDIXJPHW-UHFFFAOYSA-N 498.582 4.137 10 10 JICE CC(C)(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866934624 FWVYLTGCSTUYCZ-SFTDATJTSA-N 470.500 4.238 10 10 JICE CC[C@](C)(NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868843190 COPJBOWDUIVDKJ-NAKRPHOHSA-N 465.638 4.377 10 10 JICE CC(C)OC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870910467 COYHPNCGBFGTDD-UHFFFAOYSA-N 478.593 4.096 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 2296473066 YWODDDAXXAHJAM-UHFFFAOYSA-N 491.617 4.283 10 10 JICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2296709032 DGWOJQVIROAOAI-UHFFFAOYSA-N 480.615 4.233 10 10 JICE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296848542 CHOBSHIKUSUQDD-UHFFFAOYSA-N 495.582 4.070 10 10 JICE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)ccc1Cl 2297458355 XSIMRXXNJYKPIQ-UHFFFAOYSA-N 494.887 4.025 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297469327 GGFFGMARJRHHLK-UHFFFAOYSA-N 457.490 4.467 10 10 JICE COc1ccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCC[C@@H]5C)ccc4n3)CC2)cc1 32943642 OTNAICOTDHQEHG-FQEVSTJZSA-N 480.634 4.133 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(Cl)ccc3C)c3ccco3)CC2)cc1 38619299 HMFNQLGNALWCFE-JOCHJYFZSA-N 490.025 4.092 10 10 JICE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4ccccc4c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076740 UXMHZTRQGMOAMS-UHFFFAOYSA-N 475.526 4.294 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N21 96460228 IULTUFDFDRCDDI-FZKGXIISSA-N 480.980 4.096 10 10 JICE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 206831575 AWDZIBXLMKVGSM-MOSHPQCFSA-N 457.573 4.347 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226747229 BGPABRCJPDRRHB-LMMUWCHVSA-N 462.546 4.356 10 10 JICE O=C(Cc1ccc(F)cc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860507043 LDWKEPCMPONHBW-UHFFFAOYSA-N 479.467 4.430 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865030771 QLQRIHDNWABWFS-OAQYLSRUSA-N 470.614 4.246 10 10 JICE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)ccc1OCC(=O)N(CC)CC 1865674970 HZHPGWKTBVAXND-KGENOOAVSA-N 467.541 4.273 10 10 JICE CCc1ccc([C@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CCO2)cc1 1869296804 NQVOGHZPADFYDL-AREMUKBSSA-N 473.621 4.261 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=NCCCCCC)[nH]1 1871467801 JGQYSVGLSKKKDU-UHFFFAOYSA-N 469.678 4.035 10 10 JICE CN(C)Cc1cc([C@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952905647 GPQPBLDNAQMLFU-LEAFIULHSA-N 472.541 4.087 10 10 JICE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2079035713 JSWRUDZQLNRDMH-SECBINFHSA-N 454.186 4.218 10 10 JICE COc1ccc([C@@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)c(O)c1 2080029745 CNOAENMHIXHNSJ-GOSISDBHSA-N 467.351 4.318 10 10 JICE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3sncc3Br)cc2)CC1 2286071559 PCGLIGDNAOERFA-MRXNPFEDSA-N 454.390 4.044 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c(Cl)c(I)c1O 2297505102 GSEQYAPIKVUXCJ-UHFFFAOYSA-N 468.678 4.465 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2313499081 JDVVFCSBUBKTDF-GOSISDBHSA-N 462.546 4.024 10 10 JICE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccs2)c(O)c1Br 2380746868 QQAUHEVRWPWWID-OAHLLOKOSA-N 455.374 4.407 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 6172100 LRTNYWMAFQEKAF-KGENOOAVSA-N 478.545 4.041 10 10 JICE CCc1ccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 18343238 YRTNSCNTSZLACO-UHFFFAOYSA-N 472.614 4.423 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 20208123 IFYYBDMFDMJSMX-RKQIHDTFSA-N 496.401 4.022 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 20211304 PZTILEAYTTWHFC-ABIKJLJPSA-N 468.258 4.421 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 21658980 MDNVVIAGDWSXGI-XMMPIXPASA-N 477.568 4.276 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCCC3)nc12 33511170 JYBDCMUAFWERPL-HMMYKYKNSA-N 476.627 4.395 10 10 JICE O=C1C[C@@H](N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 33562593 IBIPBNNCCNTNRT-FUXXUDPSSA-N 480.464 4.378 10 10 JICE Cn1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c2ccccc21 33775809 AHYKXACAFUHUDH-LICLKQGHSA-N 472.389 4.487 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1 105435893 DEOYJWHXYVZVBN-HJOGWXRNSA-N 465.505 4.307 10 10 JICE Cc1cccc(-n2c(C)cc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(Cc4ccco4)c3=O)c2C)c1 263632494 JGXNDTXKJAVIOT-UHFFFAOYSA-N 499.636 4.385 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526276796 HUILUKMAHWANMU-DEOSSOPVSA-N 491.496 4.349 10 10 JICE Cc1nc(C2(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)CCCC2)no1 914448408 CQUDMWMQFJIBMZ-NTCAYCPXSA-N 462.622 4.007 10 10 JICE COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1 1083946078 LGUIEKHFFCCENL-ATVHPVEESA-N 464.474 4.012 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3-n3c(C)cc(C=O)c3C)c2C)C1=O 1140594030 IXBLTJQWGGMJCC-UHFFFAOYSA-N 458.518 4.256 10 10 JICE O=C(CCNCc1ccc(F)c(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860712861 UYAMQXJZYFZQAR-UHFFFAOYSA-N 481.321 4.482 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864013118 QJWAYKQLTRMTRW-JOCHJYFZSA-N 494.567 4.045 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029487 OKGBFSJPXUQUNU-QHCPKHFHSA-N 488.588 4.189 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873166737 GCFPQSDFVJVWDQ-UHFFFAOYSA-N 479.584 4.435 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873169014 UXQYMAKNTSKWNY-NRFANRHFSA-N 479.584 4.491 10 10 JICE C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1cc(Br)cc(Br)c1O 1951727390 WLTIJUAOEDDVJS-QGZVFWFLSA-N 473.117 4.143 10 10 JICE O=C(N[C@]1(c2cccc([N+](=O)[O-])c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762388 LPXLPTMXPHUMFI-CPJSRVTESA-N 460.442 4.139 10 10 JICE COc1ccc([C@@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079843394 GSLSVIFNVBIXJW-QGZVFWFLSA-N 469.367 4.348 10 10 JICE CCCCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccccc3Cl)SC2=S)s1 2296881997 GFKGPOWELJQAKG-UHFFFAOYSA-N 453.014 4.374 10 10 JICE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccc(F)cc1 2314485727 CWPPAWYDIOZJEG-UHFFFAOYSA-N 467.341 4.095 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(O)cc1 2314827618 IVGIVDMDKHGODG-UHFFFAOYSA-N 463.378 4.385 10 10 JICE COC(=O)[C@@H](c1ccccc1)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326954776 VBKWMGIERSZGQY-JOCHJYFZSA-N 494.594 4.470 10 10 JICE CCCCc1ccc(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 9387288 LQYSMRAMTNMNAV-HYARGMPZSA-N 482.627 4.318 10 10 JICE CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N=C2S1 35214145 BIJKEHQOHCVYAE-BHBBQXGTSA-N 466.523 4.430 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 104775085 AQDKKLQKXOPFFY-LDADJPATSA-N 475.302 4.010 10 10 JICE CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 248240744 DXPBNCBIKIQVHZ-YZZKKUAISA-N 458.002 4.199 10 10 JICE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 728857303 CELNEMLSTPHJBY-DEOSSOPVSA-N 454.590 4.298 10 10 JICE CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860267818 KOIDNPHSMAGRJO-UHFFFAOYSA-N 464.562 4.180 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccccc1 1860760056 QSUNTSAWQBXMKW-UHFFFAOYSA-N 482.558 4.043 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010021 IAVKTIBTWYDFKE-QFIPXVFZSA-N 476.577 4.155 10 10 JICE COC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866041213 BISSUEDCBGIGNG-UHFFFAOYSA-N 492.553 4.127 10 10 JICE C[C@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1868140757 XHMZVRUMAVWWPB-OAHLLOKOSA-N 460.917 4.364 10 10 JICE CCN(CC)CCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164401 ZZOYDEXPVWOYQQ-UHFFFAOYSA-N 485.632 4.091 10 10 JICE CCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166259 JCDIBRIEDCKJHC-UHFFFAOYSA-N 457.574 4.425 10 10 JICE CCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166558 RUVWYRPMVYIBMA-UHFFFAOYSA-N 473.573 4.043 10 10 JICE CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650703 RJDHPRUZEAYWNQ-UHFFFAOYSA-N 474.540 4.178 10 10 JICE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCC 1875208775 ZTKGXSWMLQJJFL-UHFFFAOYSA-N 464.614 4.414 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1892086638 MOKBQQUWYCXAIS-YSIASYRMSA-N 494.082 4.250 10 10 JICE CC(C)(C)OC(=O)N[C@]1(C)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106878218 VXLAPBKYDBTBCP-RUZDIDTESA-N 460.619 4.446 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@H](C)COc1ccccc1 2293328991 ZXBMNCCZVRQNTQ-LJQANCHMSA-N 458.514 4.251 10 10 JICE Cc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 2293453448 KSJNMQBVZVXTNI-UHFFFAOYSA-N 456.498 4.428 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296538576 ZXYDCULAMRUUNA-UHFFFAOYSA-N 481.599 4.052 10 10 JICE Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)o2)cc1 2297346515 SRCCVNSFQBKKHN-UHFFFAOYSA-N 488.616 4.387 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2c(C)nn(-c3ccccc3)c2C)C1=O 2313548121 MFWNJVMCCNIAIS-UHFFFAOYSA-N 494.349 4.139 10 10 JICE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2313621313 DLVTZIWVRYIWRS-UHFFFAOYSA-N 483.615 4.126 10 10 JICE COc1ccc(N2CCN(C(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 2313811890 PJFXBMXVLAPTEQ-UHFFFAOYSA-N 495.388 4.147 10 10 JICE COc1ccc(N2CCN(CCCn3c(=S)[nH]c4c(sc5ccccc54)c3=O)CC2)cc1 2961713 FIJHBQMWKNFXJZ-UHFFFAOYSA-N 466.632 4.495 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468668 HRULZHZPFVIYOY-IMWIBFENSA-N 456.564 4.134 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 40888794 JFXFEEYFFLREHS-PTNGSMBKSA-N 488.425 4.401 10 10 JICE COC(=O)C1=CN(c2ccc(OC)c(Cl)c2)c2cc(Br)ccc2S1(=O)=O 64979282 MUVXVVKLYOGHTD-UHFFFAOYSA-N 458.717 4.051 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5ccc(C)cc5s4)C3)CC2)cc1 90508385 DWQYBYDCSGYAHA-IBGZPJMESA-N 450.608 4.179 10 10 JICE Cc1cc(/C=C\C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96925277 ABXXFTHZBZNHLF-YFHOEESVSA-N 477.605 4.477 10 10 JICE Cc1cc(C(=O)Nc2ccc(OCc3nccn3C)cc2)c(C)n1-c1ccc2c(c1)OCCO2 108631546 OQUGCSFLUQYEAK-UHFFFAOYSA-N 458.518 4.430 10 10 JICE COc1ccc(S(=O)(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 586229488 VMAVPSDJEPYJAV-UHFFFAOYSA-N 465.527 4.083 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2cccs2)c1 1860502807 BQQVAZQGPUWXNL-UHFFFAOYSA-N 453.479 4.423 10 10 JICE CCOC(=O)[C@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827194 UTHUOIDLLKQEDS-IQFISFIMSA-N 460.577 4.222 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019786 QXTJPESZSBNIRU-NRFANRHFSA-N 496.995 4.356 10 10 JICE COc1cccc([C@H](C)CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867107906 SBHQGEAFHSHTQY-IAGOWNOFSA-N 470.525 4.108 10 10 JICE CCCC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868769030 ZWRGYYYPYRRNJK-CPJSRVTESA-N 469.601 4.037 10 10 JICE CCN(CC)C(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871081516 IZTYLOXDPRBAOH-UHFFFAOYSA-N 492.620 4.488 10 10 JICE CN1CCc2nc3ccc(F)cc3c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1 1874178944 CBIILBYOOCHBBK-UHFFFAOYSA-N 465.484 4.390 10 10 JICE CCCCCOc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 2296712227 LOTFAHPUNXGYJB-MRXNPFEDSA-N 469.650 4.043 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313547897 GBBUNSOSSIXHIP-UHFFFAOYSA-N 465.513 4.280 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2532985 LVHRMRMRQVSFKJ-QZQOTICOSA-N 465.600 4.270 10 10 JICE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 32964325 OPSIIRJUDTUFBK-GNMKNICSSA-N 486.513 4.392 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33751730 MIBITAXKRWCAGP-WOJGMQOQSA-N 450.589 4.145 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310931 JFZMVKPEPJLDOC-UGKGYDQZSA-N 493.069 4.478 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@@H](c1cccc(OC)c1O)N2 65298252 GDONARAWVVIXRR-QFIPXVFZSA-N 467.566 4.272 10 10 JICE biogenic COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1 108429055 HPNOVLZINMEOST-SFHVURJKSA-N 462.516 4.064 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 526563346 PULVISVAWWKNHZ-OAQYLSRUSA-N 467.499 4.020 10 10 JICE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 1860073631 ZMEVEGMLPUZFDU-GIJQJNRQSA-N 456.545 4.335 10 10 JICE O=C(COc1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860554419 RPNMDOWXMOALFL-UHFFFAOYSA-N 477.476 4.127 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029532 PLGLQIKRMPYHSC-NRFANRHFSA-N 494.979 4.206 10 10 JICE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)CC2=O)cc1 1865926996 OUEYNAMTFFDPTA-NRFANRHFSA-N 457.530 4.028 10 10 JICE Cc1cccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1C 1866284114 NRRCNBKWXLIFQQ-SANMLTNESA-N 487.648 4.181 10 10 JICE CCC[C@@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868748130 AEMZKSRDMPSILD-QIDLBESASA-N 470.013 4.386 10 10 JICE CCc1ccccc1NC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873650872 ZZKVQGPHSAINQR-UHFFFAOYSA-N 470.577 4.118 10 10 JICE CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1cc(Br)cc(Br)c1O 1952223079 ZTQDPHYKWWVWFB-CYBMUJFWSA-N 450.171 4.189 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 2313548111 MAXXNZHAEZNJTK-UHFFFAOYSA-N 457.534 4.443 10 10 JICE COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 8608561 QEZFYXHNZGPMBC-XMMPIXPASA-N 465.619 4.152 10 10 JICE aggregator C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc2NC1=O 11857557 NJFIJLCOCJXEOS-ZDUSSCGKSA-N 455.561 4.209 10 10 JICE COc1ccc(O)c([C@@H]2Nc3ccccc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659084 CHZGGCLWVYVGFQ-DEOSSOPVSA-N 494.551 4.232 10 10 JICE O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 33549661 WAOLXANKWPHENJ-MSUUIHNZSA-N 479.366 4.196 10 10 JICE O=C1N=C2SC(c3cccnc3)=NN2C(=O)/C1=C\c1cc(Cc2ccccc2Cl)ccc1O 102470529 VZYBERINAYBLKJ-PDGQHHTCSA-N 474.929 4.248 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526380846 BPFWHBCQNGJVFQ-XMMPIXPASA-N 479.485 4.189 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)c1 526480736 XYHGCALZZOZHKT-HSZRJFAPSA-N 461.470 4.340 10 10 JICE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)ccc1Br 1084406930 WSASNMNXLOTYGY-ZROIWOOFSA-N 464.113 4.186 10 10 JICE CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 1624895923 MRBROGUFKHUUQR-UHFFFAOYSA-N 454.571 4.343 10 10 JICE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)s1 1859572545 PLQLHLUJVTWRDK-UHFFFAOYSA-N 457.577 4.466 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008854 UBAPDOGGEWZOHD-NRFANRHFSA-N 482.968 4.102 10 10 JICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864009813 FIEDLBZJYJMXGV-MYYSRTQBSA-N 484.556 4.354 10 10 JICE COc1cc(/C=C/C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(Br)c1OC 1865912332 JXHALLSQOJIDDQ-NOUTYMABSA-N 499.409 4.185 10 10 JICE CCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385623 IFRLJXAAQOTQQV-RRPNLBNLSA-N 494.680 4.393 10 10 JICE CCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900408 XALSNDMXBLNJEU-UIOOFZCWSA-N 464.654 4.303 10 10 JICE COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn1C)C2 1871333069 DDDADBIWYVQSTR-UHFFFAOYSA-N 479.492 4.036 10 10 JICE CCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165724 RJNDEQCPQNHRSC-UHFFFAOYSA-N 450.627 4.296 10 10 JICE COCCn1ccc2c(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 1874179534 IXRSFOREDCFYTP-UHFFFAOYSA-N 454.482 4.081 10 10 JICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc(Cl)c(CN)cc2F)CC1 2227916765 DHFCBLYTBODDNE-UHFFFAOYSA-N 487.016 4.232 10 10 JICE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2294082231 VGMYNOFONMVLPP-UHFFFAOYSA-N 472.291 4.064 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(C)(=O)=O 2297356859 YWSMFDLDIKNEJK-UHFFFAOYSA-N 469.993 4.483 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3c(OC)ccc4ccc(OC)cc34)C2=O)c1 2313555916 DVDQJLOBVUDNRF-UHFFFAOYSA-N 490.512 4.321 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Nc2ccccc2OC)C2CC2)c(OS(C)(=O)=O)c1 37423151 BGRATYZDTBQISW-UHFFFAOYSA-N 461.584 4.076 10 10 JICE CC(C)c1cc(NS(=O)(=O)c2cc([C@@]3(O)CCC(=O)N3C)ccc2Cl)cc(C(C)C)c1O 101211109 PGKMOQNZLQCYGZ-QHCPKHFHSA-N 481.014 4.491 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526227364 ADZHALQVAHXSII-XMMPIXPASA-N 479.485 4.189 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526351156 LAYVYPLAPWYXSS-QHCPKHFHSA-N 461.470 4.340 10 10 JICE C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728745648 HQFJDSAZCMXFQQ-XJUOHMSHSA-N 460.638 4.237 10 10 JICE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccc(F)cc1 1082757030 PILNOMACAAKGIA-HYARGMPZSA-N 474.517 4.462 10 10 JICE CCOC(=O)c1c(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)sc(C)c1C 1858686254 QUUKVNCAGVDKJO-UHFFFAOYSA-N 484.534 4.147 10 10 JICE CCN1C(=O)Cc2cc(-c3csc(NS(=O)(=O)c4cc(C)c(C)cc4OC)n3)ccc21 1859574703 DMGNQUIKEZMWPC-UHFFFAOYSA-N 457.577 4.145 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc(F)cc3)c3ccccc3)CC2)cc1 1861953369 PTJVOIANHMAPHA-FFFSVGICSA-N 473.548 4.054 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864014558 YGKGTMYWQFJHBA-UTKZUKDTSA-N 470.614 4.436 10 10 JICE CCCC[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867254908 VGZBODNMUFOACZ-VGOFRKELSA-N 462.546 4.035 10 10 JICE C[C@@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)CCO1 1868565196 VQTFDSSGUSTNSD-QGZVFWFLSA-N 477.524 4.283 10 10 JICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422174 JTJMKMAYDKMBNI-UHFFFAOYSA-N 454.530 4.407 10 10 JICE CC1(C)[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)[C@@H]1c1nc(O)c2ccccc2n1 1874179252 VLMTYKVYUGLSBE-FGZHOGPDSA-N 463.493 4.489 10 10 JICE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296716289 ZFLLTGOYIXJURR-OAHLLOKOSA-N 465.600 4.350 10 10 JICE O=C1[C@@H]2[C@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 2313626323 REFKVHSIRLCZNS-YTFSRNRJSA-N 483.907 4.376 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 2314935720 RNEPRBGAJUQCNW-UHFFFAOYSA-N 450.488 4.224 10 10 JICE COc1cc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 2323886592 JPVRQMJJMOCYKC-GOSISDBHSA-N 485.587 4.347 10 10 JICE O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2ccccc2Br)C1=O 16909828 YUMQIBHMIBQMFP-OQLLNIDSSA-N 450.335 4.318 10 10 JICE O=C(Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1 31308465 ZEHGHSSPZHUYPZ-UHFFFAOYSA-N 478.460 4.378 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 54310962 RATIXQPAJAKISZ-QPPBQGQZSA-N 472.651 4.133 10 10 JICE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/N2CCN(c3ccc(F)cc3)CC2)SC1=S 59397507 ZFOIDOCXEJERGJ-UYRXBGFRSA-N 458.540 4.071 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=N)N12 104372659 WEIVBCRTNARSSV-GKDQMJQDSA-N 472.573 4.306 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 104372810 YKRLEHJTQFDXBD-GOPRIXMCSA-N 470.532 4.227 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](OC)C1 1705682059 OOOXCPQBUNJCCI-LJQANCHMSA-N 456.388 4.486 10 10 JICE O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)ccc1O 1860085341 FLUBZICQXUUFEM-MKMNVTDBSA-N 454.298 4.398 10 10 JICE CCCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702886 MNDBIDKUGBSVKV-RSXGOPAZSA-N 497.595 4.378 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873167361 CUBKMAOWQFPWIN-UHFFFAOYSA-N 474.605 4.289 10 10 JICE Oc1c(F)cccc1Cn1nc(I)c(Br)c1C(F)(F)F 2079183266 OOPQTBKJOASEKU-UHFFFAOYSA-N 464.982 4.162 10 10 JICE CCOC(=O)c1c(C(C)C)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2079999302 WJZFUJDSNOBTSP-NSHDSACASA-N 458.296 4.111 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)cc1 2297366622 VUEMQGVJMUMEBM-UHFFFAOYSA-N 481.349 4.473 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Cl)c1OC 2313548907 IOVYTBLACBGMRT-UHFFFAOYSA-N 493.741 4.403 10 10 JICE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314400011 HPQQGBRWTUYSBT-UHFFFAOYSA-N 462.600 4.005 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1C 20356543 FPERFBNTOLBTQD-KHCNQNERSA-N 491.577 4.373 10 10 JICE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCOCC)C1=O 33780697 QSQSCYDCQMBNNT-JXAWBTAJSA-N 474.652 4.233 10 10 JICE Brc1cc(CN2CCn3ncc(Br)c3C2)ccc1N1CCCCC1 1660281135 STGAUJINXGBQHA-UHFFFAOYSA-N 454.210 4.414 10 10 JICE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(CC)CC)cc1 1705835982 ZWHMOJDMEOCKBA-UHFFFAOYSA-N 481.670 4.063 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)CC1 1760597262 IZFDJTHLFDKSFO-UHFFFAOYSA-N 478.641 4.226 10 10 JICE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4cc(C)c(C)cc4OC)sc3C)ccc21 1859574990 YWBCSUCCXYVDHR-UHFFFAOYSA-N 471.604 4.454 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865034828 FTBVIVHFHFIZEI-TUQAPMAVSA-N 494.636 4.389 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868838953 JJXDGQGRFCPPAI-HFZDXXHNSA-N 465.638 4.412 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)CC2)cc1 1872884508 WDKVMUHQXQJIKY-UHFFFAOYSA-N 498.671 4.412 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4C[C@H](C3)CN4C(=O)OC(C)(C)C)ccc(N)c2C1 2106839762 WBEJNHUXEWLWHX-SJORKVTESA-N 458.603 4.008 10 10 JICE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1NC(=O)OC(C)(C)C 2106881687 WCMJWDCUKIWLHX-OXJNMPFZSA-N 460.619 4.302 10 10 JICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2Br)c1 2293426887 QLMTZZFYBIECEK-UHFFFAOYSA-N 485.363 4.464 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc(I)c1O 2297349563 PXEHAZUFZSIFRF-UHFFFAOYSA-N 466.250 4.341 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1OC(=O)c1cccs1 2297368416 RVHLEPMIMLZTGK-UHFFFAOYSA-N 475.526 4.271 10 10 JICE CCCC[C@@H](NC(=O)C=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330346456 LSHQFVOTFHTWLV-XMMPIXPASA-N 470.013 4.386 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S 15044827 XFVGXGSEWCTNPZ-SDXDJHTJSA-N 466.600 4.349 10 10 JICE Cc1ccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nc3ccccc3c2=O)c(C)c1 18248143 ZPBVLVITXZSDHD-UHFFFAOYSA-N 472.614 4.477 10 10 JICE Cn1cc(/C=C2/C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c2ccccc21 33900206 PNKUGOZNIUUMAE-MHWRWJLKSA-N 471.254 4.290 10 10 JICE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 40937885 BUMRZWAFHFKGGU-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 102445671 ALHTZKAXAQSVJF-GZTJUZNOSA-N 484.020 4.479 10 10 JICE CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 248240741 DXPBNCBIKIQVHZ-IXFSTUDKSA-N 458.002 4.199 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037847 IQCDZZFKHNOOPT-IZZNHLLZSA-N 488.694 4.085 10 10 JICE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1084602794 CBLCPWDDNPHCMY-AQTBWJFISA-N 464.861 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc4oc(=O)c(C)c(C)c4cc3Cl)CC2)cc1 1860268547 WZTFSWLPAITFIO-QGZVFWFLSA-N 470.953 4.188 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@@H]21 1860347309 IYPBTZWXCROLFZ-AREMUKBSSA-N 481.512 4.335 10 10 JICE CC[C@](C)(NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862227332 FBYHRAKSOXFBCC-SANMLTNESA-N 488.028 4.141 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)N2CCCCC2)cc1 1865917642 XJNCHMOXFASSJZ-SANMLTNESA-N 489.616 4.070 10 10 JICE Cc1cc(Br)cc(C)c1OCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865938127 WYCMNHNAKWNHLM-OAQYLSRUSA-N 471.399 4.150 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852920 AETFXFJVOUQZDK-SHQCIBLASA-N 468.617 4.134 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912856 FCIVWXUBWJCNSR-RPBOFIJWSA-N 480.653 4.003 10 10 JICE COc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869971146 ZFBWCUYYDZZOHN-OVCLIPMQSA-N 490.608 4.029 10 10 JICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873165420 NRHABLZUNZKTQW-UHFFFAOYSA-N 471.557 4.160 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cncc(C)c4)c3)CC2)cc1 1874728194 POLPIIHKBCXQEQ-UHFFFAOYSA-N 458.562 4.046 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1NC(=O)OC(C)(C)C 2106876841 GRNSEQFHHBVENH-OXQOHEQNSA-N 460.619 4.302 10 10 JICE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)c3sncc3Br)cc2)CC1 2286065511 JVFCQEUTRSRXCF-INIZCTEOSA-N 453.406 4.011 10 10 JICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1cc(Cl)ccc1Cl 2293631484 ZMSSRLCGJUQNHP-UHFFFAOYSA-N 474.300 4.129 10 10 JICE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 2294216962 UPPFPDBQHRACPY-UHFFFAOYSA-N 477.498 4.312 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296715402 ZKWVRPLNDMPCOC-HLLBOEOZSA-N 470.664 4.485 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1cc2ccccc2[nH]1 2296885499 XTLGTBRRAKGKGA-UHFFFAOYSA-N 453.564 4.257 10 10 JICE COc1ccccc1C=C1SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 2314831059 BMLUTVNZJLDAIQ-UHFFFAOYSA-N 457.533 4.224 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cccc(Cl)c4)n3)CC2)cc1 33309935 VTISGQDJSZNMRK-UHFFFAOYSA-N 469.998 4.196 10 10 JICE CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1 65298120 PMYWDMCWKFLZCR-QFIPXVFZSA-N 486.410 4.416 10 10 JICE biogenic COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861960275 JYKAXAZFUDKPHY-AREMUKBSSA-N 477.992 4.097 10 10 JICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015951 XPZKNODKISMFJD-JOCHJYFZSA-N 490.604 4.474 10 10 JICE CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867331848 UQYJNLDPYVCSQM-UIOOFZCWSA-N 496.721 4.256 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979098 GHTZZWNOFTUNFR-FQEVSTJZSA-N 494.039 4.341 10 10 JICE COCCN1C(=O)C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420508 OCTASGVKIFKPRR-UHFFFAOYSA-N 494.935 4.494 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3(NC(=O)N4CCCCC4)CCCCC3)cccc21 1874179505 HQRANDRGRJKUKI-UHFFFAOYSA-N 459.546 4.299 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4cccs4)c3)CC2)cc1 1874720950 PDEKUFJEDAUUKA-UHFFFAOYSA-N 463.603 4.333 10 10 JICE CN1CCCc2cc([C@@H](N)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106863625 JMVRHEYCRURENL-SHQCIBLASA-N 450.627 4.238 10 10 JICE CCCCN(C)c1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c(=O)n1C 33458233 NFNSYKGYFUHXMG-CPNJWEJPSA-N 458.653 4.336 10 10 JICE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 95926297 NIHVUOABEMMUTK-MFOYZWKCSA-N 462.021 4.443 10 10 JICE CCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)c1cc2ccccc2o1 742939136 ANYGGLVLZSWDIE-FQEVSTJZSA-N 450.583 4.356 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1614474497 YNBCFEPKYNTOFA-AVRDEDQJSA-N 463.018 4.482 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)cc4C)n4ccccc34)CC2)cc1 1858224633 DNFAHMVFWHUCDM-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862213092 WTKZVDRSYOYCKD-RLWLMLJZSA-N 481.637 4.220 10 10 JICE CCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870549294 YXWIMUDKGLMVSE-UHFFFAOYSA-N 471.642 4.173 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCC2)C1=O 1873169339 KHJOVSRYXKXWTG-UHFFFAOYSA-N 462.638 4.438 10 10 JICE C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017430 PVANBWXVYRUGOS-OAHLLOKOSA-N 479.488 4.463 10 10 JICE CCc1c(C)c2ccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874178945 CIGGJJODIRASOP-UHFFFAOYSA-N 467.477 4.457 10 10 JICE COc1cc(-c2cc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)no2)cc(OC)c1OC 1891758116 KYZUTBYNEHHKFQ-PXNSSMCTSA-N 463.534 4.286 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(CN)c2I)c(O)c1 2080000766 ZDLJNMVKHWHMQQ-GOSISDBHSA-N 455.340 4.174 10 10 JICE COc1ccc(Br)c(CN[C@]2(C)CCCN(C(=O)OCc3ccccc3)C2)c1O 2227747626 CXBGMVJRWBSFHW-JOCHJYFZSA-N 463.372 4.444 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 2294133936 NSELQONLSUBVRC-UHFFFAOYSA-N 479.714 4.176 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2296441614 TXNNPVIOMIDAJM-UHFFFAOYSA-N 465.556 4.224 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)CC1 2323858123 HLYBHSCOUHSBNL-UHFFFAOYSA-N 459.593 4.009 10 10 JICE COc1cc(/C=C2/NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 6574752 WHRZBHGUYRMBDK-OVCLIPMQSA-N 467.772 4.378 10 10 JICE O=C(CCNS(=O)(=O)c1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10909491 JXSLXMZSZVVWGG-AREMUKBSSA-N 460.555 4.120 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213177758 PZXNEEOAHNVBOW-RGEXLXHISA-N 481.599 4.341 10 10 JICE CCc1cccc(C)c1NC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858227382 VUFDKUWKMGQQMQ-UHFFFAOYSA-N 497.599 4.428 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC)cc4C)n4ccccc34)CC2)cc1 1858346856 DQYWAKMNBAUZMP-UHFFFAOYSA-N 456.546 4.289 10 10 JICE CC[C@@H](C)OC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857880 JYWQDTIUXFYGNT-OAHLLOKOSA-N 473.485 4.222 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1867961552 UTLLUFQIWOORTJ-UHFFFAOYSA-N 486.664 4.318 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969946 KGDGHGZTNKLNEO-UHFFFAOYSA-N 498.587 4.172 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419665 OPMQFEXXPCHQNT-QHCPKHFHSA-N 481.556 4.341 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1 2294253432 RFOAKWNFEPVIMH-UHFFFAOYSA-N 475.364 4.076 10 10 JICE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 2314817648 GKNGFXQKJHUVKZ-UHFFFAOYSA-N 476.583 4.455 10 10 JICE COc1cc(Br)cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)c1O 2332124703 HMOMZOSGNIYXAC-UHFFFAOYSA-N 450.292 4.393 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2254458 OIMFIGQROISVFB-XDHOZWIPSA-N 480.615 4.172 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14460933 MTIUTFMQKYSOKB-PNLZDCPESA-N 491.407 4.002 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)c(F)c4)C3=O)c2C)cc1F 16463732 CYGSUGWRQPMCHA-RUZDIDTESA-N 469.463 4.470 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc4nc(C)nc(N5CCCCC5)c4c3C)CC2)cc1 20756928 JRUQBOYNDLNLBI-UHFFFAOYSA-N 465.623 4.269 10 10 JICE CCCOCCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 23335596 RKKDPXQFJGVOPN-UHFFFAOYSA-N 462.594 4.117 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 23474355 RIXWXFCXSJXAHY-UHFFFAOYSA-N 464.949 4.307 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 33935540 NHCQBQIFOYMSSS-KAGZEXGGSA-N 497.536 4.367 10 10 JICE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 102473534 XJAAUEDQNKHQPT-RWYGKYMDSA-N 487.585 4.206 10 10 JICE Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc2c(c1)OCCO2 106014810 DJQPOZPHBOKVKK-UHFFFAOYSA-N 460.456 4.121 10 10 JICE CCOc1ccc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 108969569 BYJPEBPKRJWBPJ-SFQUDFHCSA-N 475.364 4.078 10 10 JICE CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 1469105719 UMSOUXZEDFMDTO-DYESRHJHSA-N 458.509 4.054 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)CC1 1858591548 SPOXFJNCAXDPLU-XNTDXEJSSA-N 455.945 4.070 10 10 JICE COc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345065 QXMMOMBEXUCRGN-UHFFFAOYSA-N 450.498 4.222 10 10 JICE CCCOC(=O)c1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1 1860715790 YIERLXBFCFOAJZ-UHFFFAOYSA-N 469.763 4.493 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864009979 HJXGDRFXOGZBJI-ZHRRBRCNSA-N 476.577 4.154 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868720763 TXSMMXWJYYXKRO-RUZDIDTESA-N 495.664 4.386 10 10 JICE CC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868731657 NJFXIGJVZTXHQQ-VWLOTQADSA-N 465.638 4.305 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)c1 1872885527 GXPBAZZXMBUWOJ-UHFFFAOYSA-N 459.550 4.235 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CC(C)C)C2=O)cc1 1873169040 WGZNWBMWNVYUJL-UHFFFAOYSA-N 467.573 4.496 10 10 JICE CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3[nH]2)cc1 1873505715 AQXGZHUMFVRRNE-UHFFFAOYSA-N 454.578 4.434 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079047298 KNJIJXYSQQOMQR-AWEZNQCLSA-N 465.257 4.369 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(OCCOc5ccccc5)cc4)C(=O)N=C3S2)CC1 2297352572 BXOQOTGAXSVTJN-UHFFFAOYSA-N 489.601 4.453 10 10 JICE O=C(CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 15035776 QTMMXPAPMJCKPV-NVNXTCNLSA-N 467.450 4.454 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 20114645 MFBLAPHZYNOWOL-JXPCMBGASA-N 472.573 4.306 10 10 JICE CCOCCCNc1cc(N2CCN(C(=O)OCC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857859 DYGZKEAHXWXIIS-UHFFFAOYSA-N 478.549 4.156 10 10 JICE Cc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 39919754 RAXDFOLVWVYXTF-XMMPIXPASA-N 464.953 4.391 10 10 JICE Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270285 LPZYZSXSCQPFDE-YBFXNURJSA-N 468.604 4.304 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O[C@@H](C)CC 1084362641 LHXWMCGNJYPVCU-TUTDSIAXSA-N 486.908 4.311 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)c1O 1473527653 IGQBIOFVNLXFME-UNMCSNQZSA-N 450.551 4.018 10 10 JICE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccccc4)c3C)cc21 1663551458 WYTHJYVLCOLIHK-KRWDZBQOSA-N 451.592 4.433 10 10 JICE COc1ccc([C@H](CN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)N(C)C)cc1 1858594272 SAQMTBOWCPAEQM-IOVUBPJKSA-N 458.605 4.217 10 10 JICE CCOC(=O)CCCOc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870795995 NCWZVEDFSUHAKZ-UHFFFAOYSA-N 492.620 4.488 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H](CN)C(C)(C)NC(=O)OC(C)(C)C 1881311525 YEWGSALNEWTCFE-HXUWFJFHSA-N 462.635 4.095 10 10 JICE O=C(COC(=O)C=Cc1ccc2ccccc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2042442007 NEWIKZBRICRXPX-UHFFFAOYSA-N 462.461 4.205 10 10 JICE CCN1C(=O)C(=Cc2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2053494386 TUAFQFCIHJDDBW-OAHLLOKOSA-N 450.589 4.397 10 10 JICE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2196995145 PYBUEYIHTZZKFC-QFQXNSOFSA-N 474.646 4.191 10 10 JICE COc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296931625 ZLCCXSBHGJUZQE-UHFFFAOYSA-N 499.523 4.374 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2297347492 ARVVOEQTISXXII-UHFFFAOYSA-N 481.892 4.417 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2297348026 SKDGLMOSAZWVKE-CQSZACIVSA-N 461.430 4.086 10 10 JICE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)C(=Cc2ccccc2O)SC1=S 2297497720 WXOCMGXXTYBRSR-UHFFFAOYSA-N 455.344 4.010 10 10 JICE COC(=O)c1ccc(Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)o1 2326954613 GAQKWAGEYGVPQK-UHFFFAOYSA-N 484.555 4.135 10 10 JICE CCN(CC)c1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 4030397 BBMMRDYKQOPKGC-OAQYLSRUSA-N 483.041 4.466 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 13638734 CHUYJGCQJNFOKE-NNMXDRDESA-N 475.408 4.297 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413171 OOWUMMGRQLBQAA-OALUTQOASA-N 456.955 4.030 10 10 JICE CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(N(CCC)CCC)cc3)N2N1 588224986 DSHHVDQFJWZKLD-VWLOTQADSA-N 477.678 4.379 10 10 JICE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 727800172 SHDNYODTCPFQEC-UHFFFAOYSA-N 471.966 4.230 10 10 JICE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881512364 MVHPIBXSHULIFL-FPOVZHCZSA-N 464.651 4.416 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079845189 QXWKBZSDBLJICQ-KRWDZBQOSA-N 470.351 4.381 10 10 JICE COc1ccc([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(O)c1 2140603781 SCYOMHFTNQAYAV-FPOVZHCZSA-N 455.599 4.173 10 10 JICE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 2293789292 RJAJWHJILWXZQH-UHFFFAOYSA-N 457.870 4.484 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296541873 CFPPEDDIYLIBKE-IYBDPMFKSA-N 456.637 4.095 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Br)c1O 2296648950 NDJFAUDLBXZCCK-UHFFFAOYSA-N 465.687 4.321 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 2313557839 NBPKGJYFLRCYBI-UHFFFAOYSA-N 460.461 4.470 10 10 JICE COc1ccc(OC)c(N2C(=O)C(=C3C(=O)N(C)c4ccc(Br)cc43)SC2=S)c1 2314717453 YFVDZGJHPUXTFN-UHFFFAOYSA-N 491.388 4.219 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2)cc1 39920683 QJWBVFDTAJFBFF-NRFANRHFSA-N 465.351 4.427 10 10 JICE Cc1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c(C)n1-c1ccccc1 68739961 MFIQBSZBUXOXLN-UHFFFAOYSA-N 494.599 4.028 10 10 JICE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCCCCO)CC1 1286852289 UHLBHLHUUITTHH-UHFFFAOYSA-N 492.668 4.210 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)cc2)c1 1860847642 OWKOHJZETYITNP-UHFFFAOYSA-N 471.536 4.475 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864014006 LFJSLSHKFGVZQC-HSZRJFAPSA-N 490.604 4.100 10 10 JICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016723 WHTFVNFSXYLWNZ-ZHRRBRCNSA-N 482.540 4.070 10 10 JICE CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867055686 BWKYOYKJQMFEGL-LEWJYISDSA-N 452.510 4.099 10 10 JICE COC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884264 NYIZHRXAUVSKFY-UHFFFAOYSA-N 459.546 4.056 10 10 JICE O=C(N[C@H](C(=O)O)c1ccc(N2CCOCC2)cc1)OCC1c2ccccc2-c2ccccc21 1951385143 FPFYYHFMUJQYBS-VWLOTQADSA-N 458.514 4.188 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc(O)c(O)c2O)CC1 1952146199 PERXOLFJHRQACN-UHFFFAOYSA-N 475.497 4.171 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079854038 DJLQHEQYKDNIPN-ZDUSSCGKSA-N 466.197 4.033 10 10 JICE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3cc(Br)ccc32)cc1 2313624336 QBQOSOBVLJPKAN-UHFFFAOYSA-N 498.402 4.048 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 2314490583 ZDPGDOROYLNGEP-CALCHBBNSA-N 474.648 4.235 10 10 JICE O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(c2ccc(Br)cc2)C1=O 2314722485 DDUMBABOPGGUDR-UHFFFAOYSA-N 462.306 4.085 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCCC1 35962113 XREJOJVJUIJWLN-QHCPKHFHSA-N 471.001 4.021 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40938729 BRINMELIFOTIEW-MRCUWXFGSA-N 466.584 4.148 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C(O)=NC2=S)cc1 59109233 KAXIVRJSJQEKGC-TUNPGAEXSA-N 453.564 4.354 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc(Br)c1O 59861587 YDMFGOXDSMUXGN-ZSOIEALJSA-N 461.268 4.069 10 10 JICE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)CCCN=[N+]=[N-])cc1 197117139 FGDSGZGAXYHSMY-GOTSBHOMSA-N 483.594 4.439 10 10 JICE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 208272114 TYRRMERCNXFMMO-VXLYETTFSA-N 480.571 4.248 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526541093 JEWLFUPFWQFEJI-QFIPXVFZSA-N 455.413 4.450 10 10 JICE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)c1 1858073820 LCVLFJBFWQXOLK-UHFFFAOYSA-N 459.332 4.410 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865033708 GVULXOQZCAKNHR-KRWDZBQOSA-N 496.530 4.456 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccccc1F 1865679299 GFVSJZLAJVPNGI-UNOMPAQXSA-N 459.433 4.335 10 10 JICE CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866934622 FWVYLTGCSTUYCZ-NHCUHLMSSA-N 470.500 4.238 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867984355 VMOYGJKQCDYZMM-WOJBJXKFSA-N 477.584 4.232 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873167453 ICUGRIGUGQQPOI-UHFFFAOYSA-N 485.632 4.091 10 10 JICE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873169185 CZSOKQKFTYTPLW-UHFFFAOYSA-N 470.617 4.142 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4ccccc4)c3)CC2)cc1 1874724466 KVAYBZDGDAGRJQ-UHFFFAOYSA-N 473.573 4.108 10 10 JICE O=C(N[C@@]1(c2cccc([N+](=O)[O-])c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762386 LPXLPTMXPHUMFI-CJFMBICVSA-N 460.442 4.139 10 10 JICE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194840860 BJZYZIJXMFWALZ-UGKGYDQZSA-N 476.662 4.342 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 2296881725 XVEXTDYVAAZBCD-UHFFFAOYSA-N 484.643 4.088 10 10 JICE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)c1 2297332977 CTDNPVHZCZBPHT-UHFFFAOYSA-N 486.480 4.029 10 10 JICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2313681432 DRYVLOLBEBARBM-UHFFFAOYSA-N 480.477 4.057 10 10 JICE CCCCc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1 2314650524 LZIIHGOTWIQTEH-MRXNPFEDSA-N 459.545 4.418 10 10 JICE COC(=O)c1c(S(=O)(=O)Nc2ccc3c(c2)CCC3)sc2c1CCN(Cc1ccccc1O)C2 11912285 IGEXDCFAXVSVAM-UHFFFAOYSA-N 498.626 4.088 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 20114739 YKRLEHJTQFDXBD-DJCMSSBQSA-N 470.532 4.227 10 10 JICE CSc1ccc(/C=C\C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 33470618 ZYQOIDHSDACUMS-JYRVWZFOSA-N 457.507 4.379 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 33526252 ARKCFLQVLUVZBH-XMHGGMMESA-N 486.663 4.375 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54311036 WZCXARFCJJOERX-XMMPIXPASA-N 472.651 4.251 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@H]2CCS(=O)(=O)C2)cc1 54362182 KUDANLPWLAJGBZ-QHCPKHFHSA-N 468.619 4.346 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526468045 VYNJTUFRMQZDTM-XMMPIXPASA-N 491.496 4.349 10 10 JICE COc1cc(N2CCC(NC(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc(OC)c1OC 1858044332 NWQRVHMXCJMFGH-UHFFFAOYSA-N 469.365 4.427 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665439 TVUCYIDYURZOQW-HKWRFOASSA-N 489.494 4.063 10 10 JICE CCCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868769031 ZWRGYYYPYRRNJK-NBGIEHNGSA-N 469.601 4.037 10 10 JICE CCNC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870975159 DVQMOFWVKVWPKP-UHFFFAOYSA-N 492.620 4.272 10 10 JICE Cc1ccc(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170764 POJAXBUEPIMALA-UHFFFAOYSA-N 482.628 4.366 10 10 JICE CCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422584 FEDHIIGKGPQYQF-UHFFFAOYSA-N 460.490 4.223 10 10 JICE CCCCOCCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873886816 DHQPCXCEGQLKTK-MHZLTWQESA-N 474.605 4.111 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079116213 MQGQMRUOJQBSTM-QGZVFWFLSA-N 454.308 4.376 10 10 JICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccco1 2200968476 DZWGWYMGWLZRDP-NRFANRHFSA-N 466.534 4.356 10 10 JICE CN1CCCc2cc(CNC[C@@H]3CN(C(=O)OC(C)(C)C)CCN3Cc3ccccc3)ccc21 2205548070 LOMTWOGQORQQBD-RUZDIDTESA-N 464.654 4.280 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)ccc1O 2293752398 JQWYWWIEBWTSLN-UHFFFAOYSA-N 468.560 4.180 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCOCC4)cc3C)C2=O)cc1C 2293998911 LEQJJFJTULCSRU-UHFFFAOYSA-N 465.575 4.123 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F 2294100487 NHDGLXKYTJAIPZ-UHFFFAOYSA-N 464.424 4.219 10 10 JICE Cc1ccc(C=C2SC(=S)N(CNc3ccccc3I)C2=O)o1 2296654009 NRUKJAAQVABQDS-UHFFFAOYSA-N 456.330 4.463 10 10 JICE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 2297346469 KSCXZSMAQVGBDY-UHFFFAOYSA-N 476.967 4.247 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1Cl 2297346666 HSHZYQGRSBSHLV-UHFFFAOYSA-N 471.256 4.359 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348264 ZETIJNYGVITOPD-UHFFFAOYSA-N 465.393 4.059 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 2297469048 BOECHZGTKFGWJR-UHFFFAOYSA-N 488.617 4.424 10 10 JICE O=C(CCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314827384 CWCMVHLEVVGFOH-UHFFFAOYSA-N 463.924 4.184 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1F 31660168 NXUIAEGCOIOYPB-VWLOTQADSA-N 478.480 4.100 10 10 JICE Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4ccc(N(C)C)cc4)SC3=S)CC2)c1 33317038 TZKPQUWZOHOWGR-JWGURIENSA-N 452.649 4.042 10 10 JICE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 33478709 YMUICFXRIMGSBJ-AUSIDOKSSA-N 472.651 4.033 10 10 JICE COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 33696475 KCUWPQNGCUKSKN-XDHOZWIPSA-N 480.615 4.172 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 504693232 BRUAMEXMFBBSCU-ZOJNDGCKSA-N 470.550 4.319 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526622122 FOBRUMHBOKFFHN-RUZDIDTESA-N 475.497 4.269 10 10 JICE COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1OC 1616152461 HXMWNBSMNSZWFP-TUSQITKMSA-N 489.664 4.138 10 10 JICE COc1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc(Br)c1O 1858594413 YLCRPLBFMBHNOD-KNGSKEOJSA-N 494.388 4.060 10 10 JICE COc1ccc(Cn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1871117377 IJIOTCUKWOAYSI-UHFFFAOYSA-N 484.556 4.125 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1ccc(O)c(O)c1 1952823012 GHQJHCLAUXWJTP-GGAORHGYSA-N 459.498 4.365 10 10 JICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1c(O)cccc1Cl 2025354402 GQJIVQHTHJONPV-UHFFFAOYSA-N 457.999 4.333 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296540754 NQMYOHCHWKMSMT-HOTGVXAUSA-N 470.664 4.342 10 10 JICE CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 2297307884 JCEMCBFFWIYINW-UHFFFAOYSA-N 457.486 4.052 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)c(OC)c1 2297469939 HXRZFPWGURAPQZ-UHFFFAOYSA-N 477.468 4.293 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1C 2313548820 GMMGMCONAGRBRD-UHFFFAOYSA-N 452.308 4.224 10 10 JICE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1OC 59136238 YBZJASFGRIORDO-WQLSENKSSA-N 465.300 4.277 10 10 JICE CCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 59860604 VVVKUPFJNJVRCW-XDJHFCHBSA-N 471.351 4.333 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccccc3C=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413264 ZBLVBEJWZDAOSE-RUZDIDTESA-N 457.530 4.330 10 10 JICE O=C(Nc1cccc(C(=O)NC[C@H]2CCCO2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699802 XTHGZPVQYLUDOS-GOSISDBHSA-N 469.497 4.015 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)cc2C)CC12CCCCC2 1690852676 JFMXHFYEGNBXKA-UHFFFAOYSA-N 466.674 4.271 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 1860881012 HKUDHWOMKJXFED-UHFFFAOYSA-N 452.898 4.497 10 10 JICE Cc1nc2c(Br)cccn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865781242 LIHMJEAFHGCMSX-UHFFFAOYSA-N 460.287 4.433 10 10 JICE CCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329139 JREQYYWZMWQMJL-CLJLJLNGSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981055 ATOZUPPKLULABI-JOCHJYFZSA-N 480.012 4.093 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2053515713 GUWQNHDNNCKOLR-UHFFFAOYSA-N 456.637 4.241 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047777 PASCOGGMZUBROF-CYBMUJFWSA-N 452.214 4.012 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2294093772 NSMRRNNNRJAWSL-UHFFFAOYSA-N 482.246 4.284 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2294229273 DXBOJNWFAVVHEN-UHFFFAOYSA-N 497.326 4.239 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2296539371 RIMMVJMQXIEUMH-UHFFFAOYSA-N 469.563 4.183 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1OC 2296885198 IBGIZBOOFWOURL-UHFFFAOYSA-N 458.561 4.030 10 10 JICE Cc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1Cl 2297345557 HHNJUTIFKFXRAD-UHFFFAOYSA-N 476.967 4.308 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 2297356855 WFRCIWCYIVLVLS-UHFFFAOYSA-N 481.349 4.434 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401446 YTCCRLREHWSFKK-CALCHBBNSA-N 486.663 4.008 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc2N(C)C1=O 11857560 AVGYZWPWDFIVBJ-CQSZACIVSA-N 469.588 4.233 10 10 JICE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1C 27531738 AKKDHDQZOPVRLQ-XQNSMLJCSA-N 473.485 4.131 10 10 JICE COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 103801916 UBBNPPHUVHTEBH-RLRNXUHXSA-N 479.514 4.178 10 10 JICE CC[C@](C)(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862120026 CMWTWEACFSUXOX-PMERELPUSA-N 485.628 4.461 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864009141 AJQROIMZUKSXSN-JPYJTQIMSA-N 491.592 4.157 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864009453 HRKBHKCYEVTYGM-XMSQKQJNSA-N 470.614 4.428 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026858 BRWZZPCEGNMGBD-DEOSSOPVSA-N 488.588 4.137 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865028059 OLUNFKAKCMKQIZ-XDHUDOTRSA-N 488.588 4.055 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029347 LCVCOQDYEHWWHO-QFIPXVFZSA-N 476.577 4.107 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979728 VSPZRTBHMVCYJE-FQEVSTJZSA-N 480.012 4.093 10 10 JICE CCCC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868940130 DAQLLVKZWKHNNF-LVXARBLLSA-N 481.637 4.221 10 10 JICE COc1ccc([C@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CCS2)cc1 1869298621 VUUHKCFYLOYVJK-RUZDIDTESA-N 491.661 4.423 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590779 LPEVCOYXWAWLMD-UHFFFAOYSA-N 475.641 4.013 10 10 JICE CCCCc1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)cc1 1873532727 DGXPLHUFISIHLH-UHFFFAOYSA-N 469.589 4.459 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)c(O)c1 2079047655 NMUGCJFSIZZUMN-CYBMUJFWSA-N 451.230 4.492 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296848529 AYMARLDOAMXFQQ-UHFFFAOYSA-N 476.627 4.259 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 2296926257 GKQGLNREUZPCGA-UHFFFAOYSA-N 459.546 4.269 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559788 SZPSMHKMYDQZPS-UHFFFAOYSA-N 494.139 4.277 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2314508719 QCTWXUOLRNBLHM-UHFFFAOYSA-N 485.562 4.254 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15047393 DTWSCIFGFPGUSB-KELUXRKGSA-N 472.588 4.418 10 10 JICE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)ccc1C(=O)OC 205940492 PZGYOMCAJFCHEY-KGENOOAVSA-N 453.470 4.288 10 10 JICE CCOC(=O)COc1cccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726697773 FCGBWMZHCSFSTQ-UHFFFAOYSA-N 463.481 4.020 10 10 JICE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1O 1659216937 RRYSLSZFGYVSLH-HMXCVIKNSA-N 450.551 4.161 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H](OC)C(F)(F)F 1705574706 LGIZILPHKNQGIU-QFIPXVFZSA-N 469.511 4.393 10 10 JICE CCC[C@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309385 CWPONMFVZWRNDN-IZZNHLLZSA-N 480.653 4.003 10 10 JICE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857057 PAWJVVZTXZHWRO-FTJBHMTQSA-N 481.637 4.077 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4c4nc5c([nH]4)CCCC5)nc(C)n3)CC2)cc1 1869303838 FSMIVTLDAZTZJQ-XMMPIXPASA-N 473.625 4.064 10 10 JICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166078 BFTIEQFQWWKTEC-UHFFFAOYSA-N 479.584 4.238 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079027085 NOMAMTBGUDMQMF-INIZCTEOSA-N 466.319 4.339 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)c(O)c1 2079857548 BPPAQNAHTRVZJA-CQSZACIVSA-N 481.256 4.069 10 10 JICE Cc1ccc(OCCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 2297352673 KZPLVHDOJOCCEW-UHFFFAOYSA-N 476.606 4.328 10 10 JICE COc1ccc2c(CCNC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)c[nH]c2c1 2297500680 RTUJXJSKMFOWGO-UHFFFAOYSA-N 471.629 4.188 10 10 JICE CC(C)CCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650602 QYSZVJDSKVWGQN-UHFFFAOYSA-N 468.648 4.184 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828143 QTMMXPAPMJCKPV-UHFFFAOYSA-N 467.450 4.454 10 10 JICE CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccc(OC)cc2)SC1=S 6470470 WYHSDDWHUJCOFA-CPNJWEJPSA-N 460.533 4.282 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccc(F)cc2)cc1 11730725 XYIYYOXPWAQVKH-UHFFFAOYSA-N 473.327 4.251 10 10 JICE O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1CCc1ccccc1 33316073 CQIVSMRJPVADBH-LFIBNONCSA-N 467.353 4.441 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33437840 RNBONAZXZLEELM-SDXDJHTJSA-N 456.637 4.322 10 10 JICE O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 35362910 YLQAYOIFFSHJMQ-PJQLUOCWSA-N 465.306 4.492 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccccc2)cc1 39919752 YTIWQEGEJNMWPQ-HSZRJFAPSA-N 450.926 4.083 10 10 JICE CCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)c2cc(Br)ccc21 40928001 VUHDRQADSXFEGW-MSUUIHNZSA-N 497.436 4.120 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152344 BMDJDPDQWKKNHU-FDIDITGRSA-N 457.533 4.222 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 59822531 AVJGFCHQWWGREE-AVRWGWEMSA-N 479.602 4.167 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861925778 OOGNVOMAXLMKKR-HSZRJFAPSA-N 464.393 4.249 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864016192 JIEQRPRLZUPTHQ-PERKRYKHSA-N 488.588 4.371 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc(Br)ccc3c2=O)N2CCCCC2)cc1 1866455861 BKBKXIUWHJOUHQ-HSZRJFAPSA-N 497.437 4.314 10 10 JICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(C2CC2)[nH]n1 1867148874 VCQWYDZXGKVLGI-VWLOTQADSA-N 490.519 4.172 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2078992352 NIUKFBWEQWKPGH-QGZVFWFLSA-N 454.308 4.411 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080052374 MOLVAXIHRDURLL-AWEZNQCLSA-N 462.234 4.445 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)c1 2296885453 VOTGRTYCGOKINT-UHFFFAOYSA-N 456.545 4.014 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 2297469215 DADVESKYGUBABS-UHFFFAOYSA-N 474.590 4.116 10 10 JICE C[C@H]1CN(C(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)C[C@@H](C)O1 2314489209 PQBMBTRRRHBYLR-CALCHBBNSA-N 468.600 4.107 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccccc1Cl 2332141128 IAXYMUQKUWLMEC-UHFFFAOYSA-N 467.787 4.364 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 1266753 WSBWFUVAHOXHOR-FSVXVPGWSA-N 463.628 4.183 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2533110 NGIMMHSTXGPSEJ-YYZBOFOMSA-N 481.599 4.050 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683222 CMTKLYDJAMKXDR-LUCIHVKJSA-N 464.562 4.448 10 10 JICE CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC 33337945 YADGLXPVEHSKKU-UYRXBGFRSA-N 458.561 4.039 10 10 JICE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC[C@@H]5C)cc34)CC2)cc1 65002095 NUHZXHPBALISQF-QFIPXVFZSA-N 487.648 4.174 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5ccc(F)cc5s4)C3)CC2)cc1 90504439 AXLZOLCRUWUUOA-KRWDZBQOSA-N 454.571 4.009 10 10 JICE CC1=CN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)c(Br)c3)C(=O)N=C2S1 102464534 RQAFUIRPYXJGKZ-YZDZUVNUSA-N 458.293 4.428 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 210757799 IRCWOIGETDLDDC-FOWTUZBSSA-N 463.606 4.258 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1 1860344916 HJRYTNJWJNFBTQ-UHFFFAOYSA-N 465.469 4.121 10 10 JICE CCOC(=O)[C@@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827195 UTHUOIDLLKQEDS-YAJBTMAUSA-N 460.577 4.222 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009816 FMRBLKYIIZKUBV-FQEVSTJZSA-N 482.968 4.110 10 10 JICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864021603 QMIILUKSEGNODH-IVZQSRNASA-N 476.577 4.011 10 10 JICE CC[C@](C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640599 ARBVNSKAAHHBED-MHZLTWQESA-N 483.480 4.247 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867965608 ZAOXMNULGGCUGX-SZPZYZBQSA-N 473.621 4.401 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2294259112 JQEMJHZOBLEFFA-UHFFFAOYSA-N 497.326 4.239 10 10 JICE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 19855484 ZSSVRCJPIOLPEB-UHFFFAOYSA-N 488.544 4.343 10 10 JICE COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)n3n2)cc1 33274999 YBRPUXGMXZZNGK-UHFFFAOYSA-N 498.631 4.312 10 10 JICE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 96460189 JNEYGMBPZSJNEN-UYEXWIMWSA-N 496.401 4.022 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(OCc2cn3ccccc3n2)cc1 98000657 XXUJLICVSXKBNG-ZROIWOOFSA-N 482.584 4.422 10 10 JICE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726632447 WFQZJBCMSBASQG-QFIPXVFZSA-N 492.542 4.036 10 10 JICE CN(C)c1ccc(CN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CC(F)(F)F)cc1 728904158 IBTJTXXMLDXYBL-NRFANRHFSA-N 488.432 4.084 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(OC)c(OC)c4)sc3C)ccc21 1859573306 LSXDTCHLOYJVQS-UHFFFAOYSA-N 487.603 4.236 10 10 JICE COc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1OC 1860891336 RVRURTDFEYDOEM-UHFFFAOYSA-N 461.562 4.271 10 10 JICE COCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166179 FVIKPMPAJKQWAT-UHFFFAOYSA-N 457.574 4.309 10 10 JICE O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951377333 ORVKKGDQADASKM-CQSZACIVSA-N 473.117 4.359 10 10 JICE CSc1ccc(C=CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 2042441741 ZYQOIDHSDACUMS-UHFFFAOYSA-N 457.507 4.379 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079945424 HCLKATFWJXQEOO-QGZVFWFLSA-N 454.308 4.295 10 10 JICE COc1ccc([C@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080002235 UZLJMTYXSDHEQV-KRWDZBQOSA-N 452.292 4.281 10 10 JICE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194840858 BJZYZIJXMFWALZ-KNQAVFIVSA-N 476.662 4.342 10 10 JICE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352626 HMHQAGCMAJNYOG-UHFFFAOYSA-N 475.574 4.337 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S 2313502061 MLECLAJSKFEVQB-UHFFFAOYSA-N 458.561 4.151 10 10 JICE O=C(CSc1n[nH]c(=NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)s1)Nc1ccccc1 2314951999 PLJYUQBAGFDNGD-UHFFFAOYSA-N 488.019 4.427 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccco3)=NN12 20210710 KNNAIXKNSMSLHL-MJJUSULESA-N 466.866 4.299 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C\c3ccccc3)O4)CC2)cc1 32984067 AYQKPHZZJKEGSJ-KOEQRZSOSA-N 455.514 4.030 10 10 JICE O=C(Cn1ccc2c(SCc3ccccc3)nccc21)NCc1ccc(N2CCOCC2)cc1 33172278 ZHTJXVAOLGHNKY-UHFFFAOYSA-N 472.614 4.482 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989652 RHBAZPYRBLBWAV-UYRXBGFRSA-N 456.637 4.182 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 103756160 ZAGKAOXYKNXBOJ-XDHOZWIPSA-N 475.448 4.419 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c(OC)c1 1084311911 SCTVFVKBLIZRKF-ATVHPVEESA-N 466.540 4.279 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCSc2nccs2)CC1 1749831961 PQVLJLKHAICRHT-UHFFFAOYSA-N 495.049 4.435 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cn3)CC2)cc1 1858429596 RIHNUHCVDGYDNB-UHFFFAOYSA-N 466.607 4.341 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(C)c(C)c1 1860760708 DAUXIUQDYQTIKH-UHFFFAOYSA-N 480.542 4.111 10 10 JICE COc1cc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952153316 SLVDELLGYLWFOG-SANMLTNESA-N 463.486 4.335 10 10 JICE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2053512167 UQPZIGZCGYEMGX-OAHLLOKOSA-N 450.589 4.479 10 10 JICE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079987791 YNCMEORBXLQLEF-KRWDZBQOSA-N 470.307 4.111 10 10 JICE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194864570 SOIRKEDJLLKSCZ-KMRXNPHXSA-N 464.654 4.456 10 10 JICE CCCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2CC)c2ccccc21 2296754072 ZJVUPLHBUMPNJC-UHFFFAOYSA-N 485.325 4.318 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)cc1 2297316522 YGQSUWHXWGPSIS-IBGZPJMESA-N 452.601 4.303 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400477 NHOUIUCCNWWMLS-IAGOWNOFSA-N 486.663 4.090 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCc4ccccc4C3)nc12 2366556 GBMSLAGJFLHLBA-DEDYPNTBSA-N 476.627 4.175 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(Cl)cc4F)n3)CC2)cc1 33309937 FMPICOWWIZAPRW-UHFFFAOYSA-N 487.988 4.335 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc1I 33447315 HXOFPHJOGUPQGR-QPEQYQDCSA-N 482.274 4.111 10 10 JICE CCc1cccc2c(/C=C3/SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCOCC3)c12 33525414 RKJOOKDPSJVZGQ-PXLXIMEGSA-N 491.638 4.468 10 10 JICE CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1=O)=C\c1ccccc1 101154654 BPUYSWFHZPOIEL-LJWICLCPSA-N 452.532 4.305 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 105571441 MMLRLTXSFBZNPJ-DUPNKOKHSA-N 450.436 4.292 10 10 JICE O=C(NC[C@@H](NCc1cc(Br)cc(F)c1O)C(F)(F)F)OCc1ccccc1 2029877840 CRFFNMHIQOMCRY-OAHLLOKOSA-N 465.241 4.241 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079979837 VOKVHJQHRIVNKA-QGZVFWFLSA-N 467.351 4.422 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2080005204 JIYAVYGHVGZACZ-AWEZNQCLSA-N 470.307 4.255 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(I)cc1 2293990382 VWPCJUPODWNBJG-UHFFFAOYSA-N 483.352 4.368 10 10 JICE CCCN1C(=O)C(=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296731385 SQMLLIYGUJYXAS-UHFFFAOYSA-N 453.545 4.107 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3c(C)[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1 2297624994 XUOYIPYGEOHZCP-UHFFFAOYSA-N 484.375 4.469 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(Br)c1 2313682626 HOEDIYSSGSEBSP-UHFFFAOYSA-N 473.283 4.009 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 12383925 RXVGJORWZCPTHF-OSVNEOKWSA-N 456.498 4.497 10 10 JICE N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 20207474 QWODTNOGLPMHKR-PCHQCWAOSA-N 476.539 4.138 10 10 JICE C/C=C\C(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 33926982 LHVWZLOQQJPOEM-TWGQIWQCSA-N 475.613 4.464 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)NCCCc3ccccc3)c3ccco3)CC2)cc1 38620027 XJFXHSKVACIBAS-RUZDIDTESA-N 462.594 4.084 10 10 JICE COCCCN1C(=O)/C(=C\c2ccc(O[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc2)SC1=S 102617841 OFUMYCOWTTZZHM-HFQYIWAZSA-N 497.853 4.136 10 10 JICE COC(=O)/C=C\c1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 207140696 OJZUPFSIRMVGBF-PXAMLJHWSA-N 452.442 4.354 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210683284 DKOHYQBPFVOORV-HMMYKYKNSA-N 468.600 4.316 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1465951618 PFCNZVRJPMHIRU-JTHBVZDNSA-N 453.970 4.090 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 1858588895 HYCHZANWVHNENR-FRKPEAEDSA-N 480.361 4.293 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CCCCCNC(=O)c2ccccc2)N2CCCCC2)cc1 1866015459 ICLGGIZFCHNSSW-AREMUKBSSA-N 464.654 4.386 10 10 JICE Cc1ccc([C@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1868149239 SRJKRDOZXCKOEY-XMMPIXPASA-N 454.526 4.265 10 10 JICE CCCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421545 DKAQYMLLEMXSFL-UHFFFAOYSA-N 491.613 4.490 10 10 JICE O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1892093312 CCAKQCFNRMSEAR-MPYJOUPCSA-N 483.612 4.098 10 10 JICE COc1cc(Br)cc([C@@H](NC(=O)OCc2ccccc2)C(C)(C)C(=O)O)c1O 1952336804 FZOCUQLHAXSNAO-QGZVFWFLSA-N 452.301 4.242 10 10 JICE CN(C)Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079181081 IRWDEGFRWCZZKI-UHFFFAOYSA-N 493.189 4.341 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079959452 VKHPRQLBDGFVOT-KRWDZBQOSA-N 470.307 4.077 10 10 JICE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 2296539462 ZXIROFZCJMWMIF-UHFFFAOYSA-N 465.600 4.434 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(I)cc1 2313501792 CYIFAYJZSYJSSE-UHFFFAOYSA-N 496.351 4.291 10 10 JICE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314540951 BWXPGTWFHQXUBQ-ZDUSSCGKSA-N 485.370 4.173 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OCC 2323808676 KUOQTRJRCMVJBQ-CQSZACIVSA-N 455.623 4.282 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1 2323840713 OAFUZNROUXHIOJ-UHFFFAOYSA-N 473.428 4.085 10 10 JICE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1)c1cccc(C)c1C 12976377 YVTBAOUAXICMNH-SXGWCWSVSA-N 461.590 4.120 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 14132710 CABUIMWMCQZAFY-LFIBNONCSA-N 451.822 4.483 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 20208127 ZWRFVFFNGCGOPQ-RKQIHDTFSA-N 496.401 4.022 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OC 20235925 DFMFEVYXWFJRLD-OHGJXKEGSA-N 483.908 4.265 10 10 JICE COc1ccc(N2CCN(c3c4c(nc5nc(Cc6ccc(Cl)cc6)nn35)CCC4)CC2)cc1 46022902 UQYVUHDJIXSPDQ-UHFFFAOYSA-N 474.996 4.192 10 10 JICE COCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)c(OC)c2)SC1=S 102679387 QUJDVEHVAHRMOL-PNKSDHNESA-N 485.583 4.170 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 102682038 SRSFAKRJXVODQU-AADZMDKZSA-N 470.664 4.342 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 210719655 TVOHJQOKLUDKED-HMMYKYKNSA-N 484.599 4.492 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526280188 YZVKGFIJSNXKOO-DEOSSOPVSA-N 491.496 4.349 10 10 JICE CC[C@@H](C)[C@@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606671938 GIMAHZLTMPHYGX-KABGHOERSA-N 454.573 4.322 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cccc(F)c4)CC3)cccc21 1860587805 WRYWBCUXARMFJJ-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865027291 XJNZDPJKBIQANT-HSZRJFAPSA-N 494.567 4.133 10 10 JICE COCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164641 KQUJRJUSMALBIF-UHFFFAOYSA-N 461.537 4.139 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3cccs3)C2=O)cc1 1873167969 FAZNRHIKNXPKKD-UHFFFAOYSA-N 485.613 4.312 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873168701 GNCNVWAJCKQFSM-UHFFFAOYSA-N 493.611 4.362 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2040498973 RDEDFGIRFKIKFN-UHFFFAOYSA-N 472.636 4.067 10 10 JICE COC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)o1 2296110159 FRPHWEXSDVUFER-UHFFFAOYSA-N 480.860 4.062 10 10 JICE COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1 2296167134 XVELNLMEGYMYPZ-UHFFFAOYSA-N 467.525 4.314 10 10 JICE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2296711416 YBLADPKQZOZZRI-UHFFFAOYSA-N 469.563 4.038 10 10 JICE Cc1c(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296756219 NMARPUOWBQEUIT-UHFFFAOYSA-N 498.655 4.166 10 10 JICE O=C1NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 2297313869 FLJLTULKLNNJAH-UHFFFAOYSA-N 476.464 4.446 10 10 JICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15048089 BNPQQRCRYYIAGJ-HKLRHMNMSA-N 475.419 4.344 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1cc(O)ccc1O)N2 20898564 HVFFWYMQLORSBO-DEOSSOPVSA-N 494.551 4.238 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454501 LIYVHCHJOIQPGR-SLDJAQPHSA-N 466.632 4.202 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33474120 FMBNNFOKOZOFDX-FBMGVBCBSA-N 456.637 4.466 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 39835769 XUKHLUWYMRKVQM-QGOAFFKASA-N 495.582 4.170 10 10 JICE CC(C)CCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562652 QYSZVJDSKVWGQN-ZHZULCJRSA-N 468.648 4.184 10 10 JICE COC(=O)[C@@H]1N(c2ccc(OC)cc2)[C@@H](C(=O)OC)SC1(c1ccccc1)c1ccccc1 96580372 DEALLQDWYUBIHY-XZOQPEGZSA-N 463.555 4.233 10 10 JICE Cc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 106273239 UMBUKZOSPFMFRR-UHFFFAOYSA-N 465.594 4.120 10 10 JICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 205958934 BGTICWXFUJHJFY-JJIBRWJFSA-N 499.523 4.405 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 210745549 KHRWMAQQWVMVGB-XMHGGMMESA-N 470.572 4.491 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCOC(C)C)CC1 1705987275 GMMGJDTWBGCUMP-UHFFFAOYSA-N 478.641 4.226 10 10 JICE CCCC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571330 OHSICXOKSIEGNH-NRFANRHFSA-N 489.597 4.392 10 10 JICE CCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385490 FTYKYUZVUORITI-IZZNHLLZSA-N 480.653 4.003 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868480522 DGIPHOSBLZTBDD-CQSZACIVSA-N 450.502 4.151 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869182808 BPOJDQOUGLYNFN-DEOSSOPVSA-N 488.636 4.082 10 10 JICE CC(C)(C)OC(=O)NCC1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2106878717 RKWXFQZQBNGIPN-UHFFFAOYSA-N 460.619 4.303 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNCc2cc(Br)ccc2O)C1 2163255267 WBEJEOICIPHZKY-TZMCWYRMSA-N 453.299 4.290 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 2294821370 NXHPAJLRFPSVOH-HNNXBMFYSA-N 477.585 4.141 10 10 JICE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1 2296765277 JGRQCDGCFDZVBR-UHFFFAOYSA-N 450.347 4.388 10 10 JICE Cc1csc(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)n1 2296885089 BKMGCOMZOUOIMK-UHFFFAOYSA-N 468.423 4.444 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2314650459 IEEIGVCGHLTJGD-UHFFFAOYSA-N 480.659 4.470 10 10 JICE CN(C)c1ccc(C=c2sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1 2326228835 AHMSSNDSJIVZCI-UHFFFAOYSA-N 475.401 4.083 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 16891162 VHLNMSMXCYKFCV-KBMIEXCESA-N 465.619 4.447 10 10 JICE CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1OC 33322445 DPENROZBDGNETR-DHDCSXOGSA-N 475.295 4.372 10 10 JICE CCCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619246 KFCAKCMJUUWDSF-VWLOTQADSA-N 483.634 4.083 10 10 JICE CC(C)CN(CC(C)C)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 59498892 JSIDEWFCDRVSOP-MTJSOVHGSA-N 478.549 4.375 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3OC)O4)CC2)cc1 95550759 YSGQLFWWTZQIAK-ITYLOYPMSA-N 485.540 4.038 10 10 JICE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526228149 ZAJYYORKFRBATD-XMMPIXPASA-N 479.485 4.189 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526546064 OVVWAMYWTBTELU-JOCHJYFZSA-N 455.413 4.450 10 10 JICE CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(N(CCC)CCC)cc3)N2N1 588224985 DSHHVDQFJWZKLD-RUZDIDTESA-N 477.678 4.379 10 10 JICE COc1ccc2c3c(n(C[C@H]4CCCN5CCCC[C@H]45)c(=O)c2c1OC)-c1ccccc1C3=O 1615245102 YELDFPKLSCCGPR-DYESRHJHSA-N 458.558 4.495 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(S(C)(=O)=O)CC1 1705712149 ZFKVWIVIKPNAOW-UHFFFAOYSA-N 467.639 4.332 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1 1858590658 CSXWBECGHBGCEP-MHWRWJLKSA-N 473.428 4.085 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1860749004 SHINUGRIIFHUJS-UHFFFAOYSA-N 483.502 4.313 10 10 JICE CCc1sc(NC(=O)C(=O)Nc2cccnc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860749870 CBSDVUOAFFXBMO-UHFFFAOYSA-N 488.363 4.499 10 10 JICE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865678004 OIVDXQSMZZDCJI-GHXNOFRVSA-N 456.174 4.411 10 10 JICE CSCC[C@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020932 HRUNCCONIDTCRC-ZHRRBRCNSA-N 478.614 4.465 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1869135607 LYFPIUAVLOAZDN-OAQYLSRUSA-N 492.693 4.319 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427660 VDXXDSDYYQUJJJ-UHFFFAOYSA-N 494.599 4.257 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccccc4F)c3)CC2)cc1 1874729653 ABWVZXISTMTYHY-UHFFFAOYSA-N 476.548 4.377 10 10 JICE Cc1ccc([C@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079047403 LBJDYHSPNCKTKV-AWEZNQCLSA-N 466.241 4.402 10 10 JICE COc1ccc(Br)c(CN[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1O 2236055910 SKTLNVONLXIUOI-HXUWFJFHSA-N 475.383 4.444 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228070 CLMQLWDVCBGJEJ-QFIPXVFZSA-N 470.554 4.450 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 2297358606 AHIQYZFVPNKTRO-UHFFFAOYSA-N 471.469 4.403 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OC(C)=O 2297365900 QSSMKXATUSMGIN-UHFFFAOYSA-N 487.306 4.277 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2297449457 AGGLAQXCYIWOSQ-UHFFFAOYSA-N 456.545 4.014 10 10 JICE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 2301666313 DWOVEFDNBQOEKC-QHCPKHFHSA-N 460.530 4.074 10 10 JICE CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 2313656553 DAKDJCWIDNXGNK-UHFFFAOYSA-N 488.794 4.362 10 10 JICE Cc1ccc2nc(NC3CCC(C)CC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2314414185 RSIHYAQINWDLKS-VMWRSERWSA-N 498.674 4.374 10 10 JICE COC(=O)CCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314767502 HFULMJUQSOPTSS-UHFFFAOYSA-N 457.573 4.081 10 10 JICE CCN(C(=O)C=Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 2324534931 PURNQPPZUMCVIQ-HXUWFJFHSA-N 454.514 4.162 10 10 JICE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 1129533 NOXOPJLCSOLJGC-UYRXBGFRSA-N 455.492 4.100 10 10 JICE COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665160 HVVXXHZVXLOCAS-RUZDIDTESA-N 488.632 4.063 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 45991863 TXQNKFVFUDFZOZ-OAQYLSRUSA-N 485.588 4.162 10 10 JICE O=C(NCc1cccnc1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586612291 BIKXPKHBONELHV-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COc1ccc(N2CCC(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 727383808 XSHYKVOIYJUESZ-UHFFFAOYSA-N 450.608 4.307 10 10 JICE C[C@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N2CCOCC2)cc1 727478011 MVXSYJRRCGAAIK-XDHUDOTRSA-N 483.012 4.395 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)c2)CC1 1670813202 JQZKUROIQXIKHZ-UHFFFAOYSA-N 450.583 4.428 10 10 JICE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O 1705735930 YMFSDRALJOJZLE-OAQYLSRUSA-N 485.629 4.327 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nc5c(s4)CCC5)c4ccccc34)[C@H]21 1860347454 QGAAFVKNMIPSSD-VWLOTQADSA-N 483.597 4.372 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)c1 1860873161 CMKWXGCXIIHMHN-UHFFFAOYSA-N 470.573 4.496 10 10 JICE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)OCC2(C)C)n1 1868254605 VQPSQCUDPXJPQE-KRWDZBQOSA-N 486.572 4.188 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868696642 LMOAYWUBXQKBCV-VWLOTQADSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868842414 MPJDKCRPJBXCJD-UIOOFZCWSA-N 497.705 4.330 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCCCN(C)C)C2=O)cc1 1873167087 RFQNTHKYZQCZSO-UHFFFAOYSA-N 488.607 4.445 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422363 SWWGKCGPQGDEBE-UHFFFAOYSA-N 470.573 4.039 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079992937 LGRAZNIZOWGMLP-INIZCTEOSA-N 456.280 4.023 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2124541046 OGSZGMUNLAQIJU-GBXCKJPGSA-N 457.575 4.379 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@@H](CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2162993765 KGSBIOMUIBTGQR-QZTJIDSGSA-N 472.630 4.255 10 10 JICE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293509183 KFERDTOMBGDWJB-UHFFFAOYSA-N 463.602 4.383 10 10 JICE COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)NC1=S 2294265336 ZJCBBPFMUONIAU-UHFFFAOYSA-N 482.901 4.138 10 10 JICE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2296546375 WIXSSUHNYJGRRG-UHFFFAOYSA-N 468.604 4.315 10 10 JICE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 2297307010 CLLDKRMIDVGSPA-UHFFFAOYSA-N 495.285 4.382 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c(C)c1 2314829339 ZCWXHAYPVSNENY-UHFFFAOYSA-N 480.571 4.202 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641795 XCTZBKXSXSHYCO-XLNZFTOWSA-N 450.535 4.011 10 10 JICE COc1ccc(-n2c(C)cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C)cc1 27095527 GQDBGAIJIPFNSG-UHFFFAOYSA-N 458.484 4.479 10 10 JICE Cc1c(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)C(=S)N=C2O)c2ccccc2n1CC(N)=O 33421038 YLTXSGFHMFGEJH-RQZCQDPDSA-N 487.368 4.413 10 10 JICE COc1ccc(CCN2C(=O)/C(=C/C3=Cc4cccc(OC)c4OC3)SC2=S)cc1OC 33515920 RWDMUYDBDFCROC-BKUYFWCQSA-N 469.584 4.475 10 10 JICE CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 33583649 ZRQIUTGEJOTVAL-RCCKNPSSSA-N 471.600 4.471 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 34806513 BUOYZVJOFYPXCD-FBMGVBCBSA-N 474.652 4.315 10 10 JICE COc1cccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3cc(Br)ccc3O)C2)c1 65298127 UVKJLLXKQCFEBV-NRFANRHFSA-N 472.383 4.026 10 10 JICE biogenic O=C(Oc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 83311605 AKKVZQZFQOPPER-LPGQDOADSA-N 470.528 4.194 10 10 JICE COc1ccc(N2N=C(C)/C(=C(/C)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)C2=O)cc1 103917266 ODGLMAJXADOEKH-CJLVFECKSA-N 495.561 4.209 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 213168672 XLGOSUSLZQOKCI-CYVLTUHYSA-N 497.598 4.123 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 226743547 WJDXLXIDDCECNC-STSQHVNTSA-N 488.997 4.011 10 10 JICE CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O 254479940 OZRRREXQCPSCAX-UHFFFAOYSA-N 489.580 4.047 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4)n3)CC2)cc1 1086844295 VQJGVZRFWDZICV-JYRVWZFOSA-N 462.575 4.198 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2nc(O)[nH]c2c1 1859573011 YGAQTXGIFPDWNI-UHFFFAOYSA-N 465.900 4.063 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871672013 PPKMYSRRELLTMG-UHFFFAOYSA-N 475.641 4.013 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCC5)ncnc4n3Cc3ccccc3)CC2)cc1 1873555353 UZYWMVDMUUAQRQ-UHFFFAOYSA-N 496.615 4.051 10 10 JICE CN(c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O)C1CCCCC1 2296701645 UDDYGUILCDCYEE-UHFFFAOYSA-N 480.615 4.458 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2296712247 NNYLQOSICSEFEU-UHFFFAOYSA-N 469.563 4.183 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 2296881501 KUNUQSPWFQWDJO-UHFFFAOYSA-N 466.628 4.245 10 10 JICE Cc1ccc([C@@H](CCNC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c2ccco2)cc1 2296934914 MMAQPGHSTRHRQU-HXUWFJFHSA-N 451.592 4.160 10 10 JICE C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397557 XSPWMYDZDRQXEU-NSHDSACASA-N 494.953 4.171 10 10 JICE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2c1 2314647858 KCOOEQMIGHSNOT-UHFFFAOYSA-N 451.573 4.374 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836523 GHRRRPKBPKEYCB-GFCCVEGCSA-N 451.529 4.095 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1)C(=O)O 2314927051 YENVLQKJAGHVFG-KRWDZBQOSA-N 457.529 4.341 10 10 JICE COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2cc(Br)cc(OC)c2O)cc1 2332124787 PMKZKTFLNXBEET-UHFFFAOYSA-N 459.340 4.458 10 10 JICE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39991320 JNNPNGWBZXCSJL-AGBQMQEQSA-N 488.679 4.052 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 210497074 QMRBUUAQMJPHNA-LFIBNONCSA-N 478.498 4.216 10 10 JICE CCN(CC)c1ccc(CN2C[C@@H](NCc3cccc4ccccc34)C[C@H]2C(=O)NCCOC)cc1 299764647 BHAJULKXHPRHBG-WNJJXGMVSA-N 488.676 4.181 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084627615 QVLUBUQWBQJJQL-ZROIWOOFSA-N 480.771 4.127 10 10 JICE C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1741008563 SCKHTLWCEZCPTP-QQSJCBEGSA-N 468.652 4.408 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858590307 JFAAWEMNOIKKFJ-QZULDAKNSA-N 482.830 4.216 10 10 JICE COc1ccc([C@@H](CN2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)N(C)C)cc1 1858594410 YJAAIJSCNIQVKD-CVNFFVDQSA-N 452.605 4.155 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc(O)c1 1860345266 YJHCEXVSAWLEHI-UHFFFAOYSA-N 450.498 4.309 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(F)c4)n(CC(C)C)n3)CC2)cc1 1862369341 FDRANXOABODSJN-UHFFFAOYSA-N 466.557 4.325 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864010836 PLEODRKCAMDVKS-LHSJRXKWSA-N 496.995 4.499 10 10 JICE COC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccc(C)cc1 1866113874 ZHVRBHJKPCJCPN-UHFFFAOYSA-N 472.588 4.044 10 10 JICE Cc1cc(Br)c2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(O)c2c1 1866541867 JXYUMPSRJOYKAC-NRFANRHFSA-N 494.393 4.330 10 10 JICE CCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890583 NNUGRUNUTBRIOR-SVBPBHIXSA-N 493.696 4.061 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868670682 PDPPBGXPRAGKHY-LGUFXXKBSA-N 475.633 4.349 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873166859 ZEYJJTLFNWAFSR-XMMPIXPASA-N 455.558 4.143 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCN(C)C)C2=O)cc1 1873421099 GUFXGBLAVTZIJT-UHFFFAOYSA-N 464.516 4.126 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2293215409 PUGFUVGMYMHQQU-UHFFFAOYSA-N 451.822 4.483 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716207 IUANQIQBGWOFIL-XHSDSOJGSA-N 456.637 4.177 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)C1=O 2297309978 BFLUXAAIWKQUEY-UHFFFAOYSA-N 451.910 4.164 10 10 JICE O=C1C(=CC=Cc2ccco2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 2297580187 YOMNDWYXOTZKDL-UHFFFAOYSA-N 475.598 4.499 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OCC)c3)C2=O)c1 2313556036 JZPZBMDDJVPHDJ-UHFFFAOYSA-N 488.924 4.211 10 10 JICE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3ccc(Cn4cnnc4)cc3)C2=O)cc1 2313682831 LPHOLEBNQHVASS-UHFFFAOYSA-N 464.529 4.472 10 10 JICE Cc1ccc(CNC(=O)c2cc(CNC(=O)OC(C)(C)C)cs2)c(O)c1Br 2381132086 WBRMOYXVVKWNNB-UHFFFAOYSA-N 455.374 4.479 10 10 JICE CN(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc(Cl)cc2)cc1 8614977 WNWIBNLNHXXNIB-UHFFFAOYSA-N 457.943 4.107 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 20236261 SSSURFPIZNABSO-YUIYYNKLSA-N 463.490 4.002 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3cc4c(s3)-c3cc(C)sc3CC4)CC2)cc1 21043673 NNHIEILUEJKVSM-UHFFFAOYSA-N 467.660 4.444 10 10 JICE CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1OC 33410543 XCMAYLJGQDJBDK-CPNJWEJPSA-N 498.557 4.185 10 10 JICE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1 40317931 WCAMNGZDCQBUKT-SFTDATJTSA-N 453.410 4.480 10 10 JICE CCSC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=O)N=C2S1 102465020 LJZUBLQZCGULLI-YLKZWASYSA-N 454.508 4.375 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4ccccc4F)[C@H]3C2)cc1 104917641 BHOWXGMVVOAZTG-SHQCIBLASA-N 475.564 4.027 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1OC 526611374 GDLUWHYCRQAQJR-DEOSSOPVSA-N 461.470 4.375 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc4oc(=O)c(C)c(C)c4cc3Cl)CC2)cc1 1860268544 WZTFSWLPAITFIO-KRWDZBQOSA-N 470.953 4.188 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(F)cc1 1860667807 LKQMCBWHGPSZMC-OAHLLOKOSA-N 463.600 4.194 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862215322 GNTFYOKDGKGRKL-LYZGTLIUSA-N 481.637 4.220 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864013119 QJWAYKQLTRMTRW-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021602 QILJLWCPNPJLJW-OAQYLSRUSA-N 468.598 4.190 10 10 JICE CC(C)COC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870848120 STDCOCCYZRFGCD-HXUWFJFHSA-N 479.577 4.163 10 10 JICE COc1ccc([C@@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080002236 UZLJMTYXSDHEQV-QGZVFWFLSA-N 452.292 4.281 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2080038358 QTARXKFWKADOSI-GOSISDBHSA-N 455.340 4.174 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296541892 DVEYTLPDKSWGIG-CALCHBBNSA-N 494.642 4.480 10 10 JICE CCOc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F 2297559886 RKVCHTAJVFWKTD-UHFFFAOYSA-N 465.344 4.253 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OC)c1 2313547990 IGAVOABUQAMRNA-UHFFFAOYSA-N 486.366 4.279 10 10 JICE Cc1c(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1C 2313560718 DMXWHMIEDWFPQS-UHFFFAOYSA-N 454.349 4.081 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314836382 DTWSCIFGFPGUSB-CQSZACIVSA-N 472.588 4.418 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OC 2314927917 NEAUPDWTQLDAJJ-CQSZACIVSA-N 455.623 4.282 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934644 JERHYAWPJPDMCT-OAHLLOKOSA-N 457.573 4.381 10 10 JICE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21 33457523 TUMNMLNZTZWKRJ-RSZPVBOMSA-N 490.585 4.303 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33474023 BQQBYPOJHZCADZ-VVZNPABPSA-N 472.636 4.067 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54421759 IQJJMMSGVGOXHC-HXUWFJFHSA-N 499.460 4.434 10 10 JICE CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cc(Br)cc(OC)c1O 101549870 JFCMBNWNECVXNG-YBEGLDIGSA-N 459.296 4.448 10 10 JICE CCSC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 102465031 QBNVECSSVNJEGG-UPLGOKCCSA-N 466.544 4.244 10 10 JICE CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)SC1=S 915838334 BDJQBHWIKYFXBG-GRSHGNNSSA-N 489.571 4.161 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 1084433691 REMOSBJXMBYDSR-YBEGLDIGSA-N 454.797 4.104 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565538605 YNBCFEPKYNTOFA-GCJKJVERSA-N 463.018 4.482 10 10 JICE CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3ccc(N(C)C4CCCCC4)cc3)cc21 1621705225 VSRVTIGUTJSRLT-UHFFFAOYSA-N 455.624 4.233 10 10 JICE Cc1nc2ccc(N3C[C@H](C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3=O)cc2s1 1866258646 FERDUMPYJUVFNF-OAHLLOKOSA-N 481.533 4.372 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2296546136 PAYWCPJDVHPVJD-UHFFFAOYSA-N 450.589 4.164 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2297311016 BDLUUPHDFZZGLJ-UHFFFAOYSA-N 475.457 4.161 10 10 JICE COc1cccc(OCCCn2cc(C=C3C(=N)N4N=CSC4=NC3=O)c3ccccc32)c1 2297499894 LZMLBRMRHRCLNF-UHFFFAOYSA-N 459.531 4.368 10 10 JICE CCOC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314759333 BRINMELIFOTIEW-UHFFFAOYSA-N 466.584 4.148 10 10 JICE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314828749 XAKDIESXUVRKPU-UHFFFAOYSA-N 475.419 4.346 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(C)c1 47133173 ZSWXMHCTWWHJCT-YVLHZVERSA-N 484.534 4.033 10 10 JICE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 210446294 VZUFKAQLWMXMKZ-ZHZULCJRSA-N 473.572 4.001 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526560497 ODLISHDDGXIYHF-JOCHJYFZSA-N 455.413 4.450 10 10 JICE CCc1ccc(S(=O)(=O)N(CCCN(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586240223 QQKDYLMIIWCTQR-UHFFFAOYSA-N 476.598 4.171 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cccc21 1860605684 CJZVNPLNHMGGHY-UHFFFAOYSA-N 477.520 4.434 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174842 LGYSLQFBLDXMFU-OAQYLSRUSA-N 459.594 4.012 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)CC2)cc1 1874750710 IJRDSXDDEDYBDT-UHFFFAOYSA-N 457.574 4.271 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2040867077 VKBXZUCQQMQLIO-CYBMUJFWSA-N 451.909 4.119 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540659 AUSRMEGOSQLIGK-GJZGRUSLSA-N 456.637 4.096 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314755199 XYAHHBAZTYCZQZ-UHFFFAOYSA-N 483.409 4.096 10 10 JICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CCOCCO)C1=O 2323768042 DXWKBZJSKLVYJD-UHFFFAOYSA-N 493.960 4.340 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCc4sc(NC(=O)c5ccccc5)nc43)CC2)cc1 8979381 UCFAMEAGDWPPTM-NRFANRHFSA-N 476.602 4.173 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCCC(=O)O 16919639 KOTRJNRAOSAQBZ-DEDYPNTBSA-N 486.571 4.303 10 10 JICE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 20368130 VXWVITFSEODFPM-NBGIEHNGSA-N 463.603 4.295 10 10 JICE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(I)c3)C2=O)cc1C 34234907 GNOOBBGKSDECLP-ZSOIEALJSA-N 462.243 4.120 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1 40562658 IEEIGVCGHLTJGD-QNGOZBTKSA-N 480.659 4.470 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526264881 XVGNFQIOUMSTDH-DEOSSOPVSA-N 461.470 4.375 10 10 JICE Cc1c(Cl)cc(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1[N+](=O)[O-] 726603674 LCETUZBOYBDBMP-UHFFFAOYSA-N 475.901 4.105 10 10 JICE O=C1/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088723354 ZGTKYYZNRHTTOR-LKBVRNOZSA-N 489.518 4.234 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(CCc4cccc(OC)c4)n4ccccc34)CC2)cc1 1858342560 LPEIYWLFMATLCL-UHFFFAOYSA-N 470.573 4.099 10 10 JICE Cc1c(O[C@H](C)C(=O)NCCc2ccc(O)c(O)c2)ccc2c(-c3ccccc3)cc(=O)oc12 1860271512 RHMPXOOSZUBWMO-QGZVFWFLSA-N 459.498 4.306 10 10 JICE CN(C)c1ccc(/C=c2\sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1 1860793974 AHMSSNDSJIVZCI-UNOMPAQXSA-N 475.401 4.083 10 10 JICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864010483 UJJDYMNYXJITCX-NQVSCAQBSA-N 492.620 4.038 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccccc3)CC2)cc1 1870435559 LIVTXJWICSDVFM-UHFFFAOYSA-N 461.606 4.262 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873167480 JFWCHIZCWNHSGW-UHFFFAOYSA-N 488.607 4.445 10 10 JICE COCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420157 KMZQREXGPMEQIB-UHFFFAOYSA-N 474.517 4.231 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCCCN=[N+]=[N-])cc1I 2060620122 WNVGNYKUGJPNQF-UHFFFAOYSA-N 459.288 4.459 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079993263 PKRPMIUNHQLZGL-INIZCTEOSA-N 458.296 4.269 10 10 JICE CC(C)(C)OC(=O)N1CC(c2c[nH]c(=NCc3cc(Br)cc(F)c3O)s2)C1 2201913554 ISQJVOXLMQDNCT-UHFFFAOYSA-N 458.353 4.119 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 2297329651 GFGCTCXEFPQZLE-UHFFFAOYSA-N 467.821 4.183 10 10 JICE CCCC(=O)Oc1c(Br)cc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 2297578225 ANTYPENIMFYYGW-UHFFFAOYSA-N 493.741 4.278 10 10 JICE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314766571 AXECTDPTGFUFIW-JOCHJYFZSA-N 496.610 4.105 10 10 JICE C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)O 2314928788 BKSKKHFBHKAQKT-SNVBAGLBSA-N 497.381 4.392 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 2323749914 JCXRDQVTPFRCPZ-UHFFFAOYSA-N 458.580 4.474 10 10 JICE CCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106616 MUNVEAKWANVLDB-UHFFFAOYSA-N 469.969 4.256 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15039965 AZIOJZYJXLYQBD-UYRXBGFRSA-N 486.571 4.109 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 33337811 CMKKBLWVEJMORC-UUASQNMZSA-N 466.334 4.298 10 10 JICE COc1ccc(N2CCN(c3ncnc(Sc4cccc5cccnc45)c3[N+](=O)[O-])CC2)cc1 40611305 NWYKZNXMHMXUSB-UHFFFAOYSA-N 474.546 4.419 10 10 JICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 102838460 WVKIGZLMSMGUNR-KGENOOAVSA-N 481.599 4.404 10 10 JICE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl 1084141858 FMMAKUGZLMUXLO-LDADJPATSA-N 480.860 4.062 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC12CCCCC2 1706002216 WVMXSVQKXGDZJA-UHFFFAOYSA-N 470.637 4.101 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1722748656 ISXRRKPKQWRSCA-QHCPKHFHSA-N 466.674 4.165 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCC(C)C)sc(C)c1-c1ccc(Br)cc1 1860758195 GCZHFLBASVJTPP-UHFFFAOYSA-N 467.385 4.373 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008417 KAUUJTYFEROGEV-OAQYLSRUSA-N 482.968 4.246 10 10 JICE CCc1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871586462 VRGHYUYXSLHXLG-UHFFFAOYSA-N 475.641 4.393 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCCC5)ncnc4n3CC(C)C)CC2)cc1 1873551730 ZYNBUZBXVDQQSW-UHFFFAOYSA-N 476.625 4.049 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5Cl)ncnc4n3C)CC2)cc1 1875195953 BDUAIZQLXYALMQ-UHFFFAOYSA-N 490.995 4.205 10 10 JICE Cc1ccccc1N1C(=O)C(=Cc2c(C)[nH]c3ccc(Br)cc23)C(=O)NC1=S 2297360200 BBTZUTRSZAOHLQ-UHFFFAOYSA-N 454.349 4.379 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935557 QCRJALNGICTDTB-ZDUSSCGKSA-N 486.571 4.301 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15040570 UPTFZBAAOVBHCV-SILNSSARSA-N 484.599 4.441 10 10 JICE O=C1N=C(NNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)S/C1=C\c1ccc2c(c1)OCO2 33716285 URZHLYXXGMKVSW-IDUWFGFVSA-N 467.488 4.034 10 10 JICE O=C(O)CCCC(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899494 SVVXCQGIZGPBFP-UHFFFAOYSA-N 495.123 4.180 10 10 JICE O=C1N=C(O)/C(=C/Nc2ccc(N3CCOCC3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103117921 AMBBGASHZYWFSU-VBKFSLOCSA-N 461.305 4.249 10 10 JICE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccccc4)s3)=NC2=O)cc1 206385826 OZJBJWFZHZPERG-LFIBNONCSA-N 483.600 4.360 10 10 JICE CCN1CCN(c2ccc(CNC(=O)N(CC)[C@@H](C)Cc3ccc(OC)cc3)cc2F)CC1 731404449 CWENPSOWCIKVJC-FQEVSTJZSA-N 456.606 4.139 10 10 JICE CSCC[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 746424252 HBSNKQSZYODWTD-WXFUMESZSA-N 481.662 4.050 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N[C@H](CO)c4ccccc4)c4ccccc34)[C@@H]21 1860347253 FIMMBRIYSQURTE-FUFSCUOVSA-N 494.595 4.028 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862254975 NFAWSDDHRWAETN-HHHXNRCGSA-N 485.584 4.441 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011705 KERCDXTWVUUQTQ-QFIPXVFZSA-N 494.979 4.058 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864017072 DUBMATVEKKKJKS-DEOSSOPVSA-N 496.567 4.165 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865026556 POFXEEGAJMRAHW-HSZRJFAPSA-N 494.567 4.133 10 10 JICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166326 LQBJHJGSRAZAQK-UHFFFAOYSA-N 482.628 4.366 10 10 JICE COc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n[nH]2)cc1OC 1874179696 LGLKBUBWPPMQFU-UHFFFAOYSA-N 453.454 4.122 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccccc4F)cc3)CC2)cc1 1874755315 VPAKYAPPHQYRSY-UHFFFAOYSA-N 461.537 4.482 10 10 JICE CCn1ncc(NCc2cc(Cl)cc(Br)c2O)c1I 2265297014 KLKKOEXSUFWYDJ-UHFFFAOYSA-N 456.509 4.241 10 10 JICE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2295914060 CVANRVMWPYRJAG-UHFFFAOYSA-N 471.560 4.483 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 2297341002 AJPWBOQCTKUMJN-UHFFFAOYSA-N 482.587 4.401 10 10 JICE O=C(O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2314929773 RLQWYQRVYPKRGM-UHFFFAOYSA-N 483.354 4.003 10 10 JICE CC(C)COC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945395 JTXQJWSJVLOAEX-HNNXBMFYSA-N 474.604 4.468 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 3000747 ZCIPVYQVXFNFCQ-LFIBNONCSA-N 469.993 4.483 10 10 JICE Cc1cc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1Cl 20356383 XNOARFDOSSWZKM-GHSJBHEOSA-N 482.997 4.201 10 10 JICE O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(I)cc1 27521316 JHMAKPUFILQMOT-RIYZIHGNSA-N 455.298 4.108 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccccn1 35638401 OKALBFNBYPZPMQ-NTCAYCPXSA-N 462.394 4.464 10 10 JICE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C[C@H](C)O1 257631222 HFSLUJJSCOLKMR-PMACEKPBSA-N 492.597 4.010 10 10 JICE O=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692755 OIRMCPVIIYERMO-GOSISDBHSA-N 469.497 4.015 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 1859574756 HSFVCLQMCFFMJG-UHFFFAOYSA-N 457.577 4.466 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(F)cc1 1860667806 LKQMCBWHGPSZMC-HNNXBMFYSA-N 463.600 4.194 10 10 JICE CCC[C@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868931402 ICYPXTJJTRJYSR-SANMLTNESA-N 492.664 4.113 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCCCCO)CC2)cc1 1870354493 FTPOBPXTTMVLII-UHFFFAOYSA-N 485.669 4.157 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCCN2CCCC2)cc1OCCO 1870792500 IZFOTRCOEKRZDV-UHFFFAOYSA-N 476.621 4.451 10 10 JICE Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)c(NC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1873896079 XXFCOZDFBDWQAU-WOJBJXKFSA-N 485.588 4.126 10 10 JICE CCN1CC(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 2053514533 PMQHSHQVCJCYQN-UHFFFAOYSA-N 474.517 4.054 10 10 JICE Cc1ccc([C@@H](n2nc(C3CCC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079005424 KTXNXOZZKVOQBG-QGZVFWFLSA-N 465.335 4.258 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079880333 OBTNIMXPDJVKGQ-OAHLLOKOSA-N 492.260 4.316 10 10 JICE CC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2293039581 PWDVEYBYIVCFBJ-UHFFFAOYSA-N 475.389 4.492 10 10 JICE O=C1C(=C2SC(=S)N(CCc3ccccc3)C2=O)SC(=S)N1CCc1ccccc1 2297554931 BWJFSFWZCLQQDB-UHFFFAOYSA-N 470.666 4.404 10 10 JICE COC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3741842 VYTUWZXCVWYHCT-UHFFFAOYSA-N 468.513 4.321 10 10 JICE Cc1ccc(N2NC(=O)/C(=C\c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1Cl 33403525 IEJUZSVZVPQRNT-WOJGMQOQSA-N 454.914 4.254 10 10 JICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 33924354 RZRINMIJCXBOOQ-LTGZKZEYSA-N 497.642 4.025 10 10 JICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990283 WHNAKLFTROEGPA-PJDJRMQISA-N 488.679 4.052 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1ccccc1Cl 40939935 OAZUXDJTFILOPF-RIYZIHGNSA-N 469.769 4.354 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)NC1CCCCC1 101572513 HNBWCCCJNBKEHE-XKZIYDEJSA-N 491.544 4.027 10 10 JICE Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1-c1cccnc1 108633848 ZMWYAEGLWRYRER-UHFFFAOYSA-N 458.484 4.275 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C)ccc2C(=O)O)C1=O 210494630 IVYXWCGXOABFSN-SSOVGQGZSA-N 452.557 4.479 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084092996 CEKUEKXEZDKKRJ-STZFKDTASA-N 458.474 4.319 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 1084578876 WEGCFAKGCJHWMI-AQTBWJFISA-N 477.473 4.144 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088723263 JHTGXSBYCKKDFS-WFSQQTBHSA-N 473.519 4.354 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CC1 1616251518 FYRVJHMVYBTDRW-UHFFFAOYSA-N 452.986 4.060 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864014245 QIOQLIFXQZXSDS-OAQYLSRUSA-N 468.598 4.046 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864019294 HYAABRYEXUQWSD-NRFANRHFSA-N 496.995 4.169 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1 1868907670 OCAXJSTZPGOJPJ-FQEVSTJZSA-N 482.584 4.311 10 10 JICE Cc1ccc(Cn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1871119405 VZKSZSXSNNXPLC-UHFFFAOYSA-N 468.557 4.425 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873164452 CDOIBECEBMDVJJ-UHFFFAOYSA-N 471.557 4.160 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 2297456213 YSKJADSZTHNNGX-UHFFFAOYSA-N 451.573 4.140 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 2314764519 FNSWMBZJCCDMEQ-UHFFFAOYSA-N 471.991 4.403 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)CC1 2323858357 LQCQPCAHGWGWNW-UHFFFAOYSA-N 455.399 4.271 10 10 JICE Cc1cccc(N2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 1126506 NOIZVDUABPXIIM-GZTJUZNOSA-N 468.263 4.387 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 13641629 UNLIYHKCCUVFOA-IUKKYPGJSA-N 452.551 4.305 10 10 JICE Cc1ccc(/C=C2\SC(=S)N(CNc3ccc(I)cc3)C2=O)o1 33618159 MGUYTZCKDQSISB-ZSOIEALJSA-N 456.330 4.463 10 10 JICE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803857 CWOXQVNGUXXFJR-XMHGGMMESA-N 480.590 4.225 10 10 JICE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 39835809 ZTDGULFOXZVAQL-NBVRZTHBSA-N 467.572 4.497 10 10 JICE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)c1 62694743 UULSMSXJVPFBHM-UHFFFAOYSA-N 483.609 4.039 10 10 JICE CCOC(=O)CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(N(C)C)cc1 100218591 LQMPAOHBLYZBTI-LCYFTJDESA-N 467.394 4.188 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705897824 UVHFCBXCHQZPCJ-DNQXCXABSA-N 490.652 4.295 10 10 JICE CCC[C@@H](NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861896413 OOTGJQLNZJXURH-JOCHJYFZSA-N 490.069 4.247 10 10 JICE CC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696769 VUPQIHZXCXWQOP-IZZNHLLZSA-N 465.638 4.377 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164278 UEOTWYGUCGZPAQ-UHFFFAOYSA-N 472.589 4.174 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873166463 QNTCATSDCPVATC-RUZDIDTESA-N 469.585 4.185 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccccc4OC)c3)CC2)cc1 1874725654 IUWQBAXRMKENLL-UHFFFAOYSA-N 473.573 4.351 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc5c(c4)OCO5)c3)CC2)cc1 1874737574 FCLZCDZTGPQGEY-UHFFFAOYSA-N 488.540 4.038 10 10 JICE O=C(N[C@@H](CC1(c2ccc(O)c(O)c2O)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952531243 BSIZHLBIVIGXKJ-NRFANRHFSA-N 475.497 4.217 10 10 JICE CC[C@](C)(NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330133822 RLPDQJPFJVZGOP-SANMLTNESA-N 470.013 4.386 10 10 JICE O=C(O)CCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672264 CCQNJRDDTYEXTJ-VHEBQXMUSA-N 472.975 4.323 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c(OC)c1OC 33569432 GYUPBMXSAYOUTI-NTEUORMPSA-N 450.369 4.238 10 10 JICE CCC(=O)NCCc1c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N=C2O)[nH]c2ccccc12 38178602 DCJXRTVULAELHZ-NBVRZTHBSA-N 452.580 4.036 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1cccc(OC)c1O)N2 65298312 RJMUHHCYXBVSQI-JOCHJYFZSA-N 451.567 4.490 10 10 JICE biogenic CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)s1 104001403 WGIQIFRORHYKTB-DEDYPNTBSA-N 496.618 4.237 10 10 JICE O=C(Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699803 XTHGZPVQYLUDOS-SFHVURJKSA-N 469.497 4.015 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)[C@@H](C)C1 1508236083 FYRKQKDUFIHJSB-FQEVSTJZSA-N 478.641 4.225 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@H](c4ccc(F)cc4)N(C)C)nc3C)CC2)cc1 1858129324 BXLRUINEOPUERZ-QFIPXVFZSA-N 468.598 4.213 10 10 JICE Cc1ccc(OCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860511096 HVAKMOSJDUCQND-UHFFFAOYSA-N 491.503 4.435 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010868 PUAPGTXHNAJDPC-NRFANRHFSA-N 496.995 4.356 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013664 FASCCNYVJOPLCF-OAQYLSRUSA-N 468.598 4.190 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029346 LCVCOQDYEHWWHO-JOCHJYFZSA-N 476.577 4.107 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029673 SNBAKECNWPMPDA-OAQYLSRUSA-N 494.979 4.206 10 10 JICE Cc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c(C)c1 1866287647 NMQWJPGEZKVBMO-AREMUKBSSA-N 487.648 4.181 10 10 JICE CCCCc1ccc(Nc2nc(=NCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871502518 QHYYNKFMGCQIRL-UHFFFAOYSA-N 461.614 4.147 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873164052 JTKUAAYZHLHNFM-UHFFFAOYSA-N 492.579 4.438 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166908 KQDPJXYMPKCQTJ-UHFFFAOYSA-N 497.574 4.390 10 10 JICE COCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419880 FKGSHFHHXYOFHL-UHFFFAOYSA-N 459.546 4.331 10 10 JICE O=Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079233627 AUBXEUCCTPEPRM-UHFFFAOYSA-N 464.103 4.092 10 10 JICE CC[C@H](N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 2092393244 ODZLIBQNUDNFAA-SLFFLAALSA-N 463.372 4.279 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CC2 2106809326 FGKZSICUJRWAHP-FQEVSTJZSA-N 458.603 4.056 10 10 JICE CN(C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1)C(=O)OC(C)(C)C 2106871252 DQPQRGLENIZSHT-QGZVFWFLSA-N 460.619 4.255 10 10 JICE CC(=O)NC1=NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1 2293311852 QWFPFWXHCHURKA-UHFFFAOYSA-N 476.308 4.043 10 10 JICE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCc2ccc3c(c2)OCO3)cc1 2313682452 CQIPQGIRPDLMOY-UHFFFAOYSA-N 459.477 4.378 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)C(=O)O 2314931295 DNSFVKNJXZQAPX-KRWDZBQOSA-N 487.599 4.390 10 10 JICE CCN(CC)CCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323767771 SMRNDRUIDCMCGA-UHFFFAOYSA-N 459.431 4.096 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 33345834 NRCYFYJUYFAIHO-VHEBQXMUSA-N 451.573 4.058 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33446149 KRYGNVGRRWXURZ-QGOAFFKASA-N 454.621 4.137 10 10 JICE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(F)cn1 1705622577 MKYFRUGIUJEWGK-UHFFFAOYSA-N 458.541 4.021 10 10 JICE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3C)c(C)s1 1859572368 CPQMRIGXFKFFTD-UHFFFAOYSA-N 457.577 4.145 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1866060991 FFBQTCKSYSEWKK-PKTZIBPZSA-N 490.570 4.206 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869281250 BPKKKAOMDOABMJ-BGYRXZFFSA-N 477.584 4.232 10 10 JICE CNC(=O)COc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871019657 YBCFBQWMMPNCBX-UHFFFAOYSA-N 498.583 4.386 10 10 JICE Cc1ccccc1Cn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871116230 KENKJGBBHYVASF-UHFFFAOYSA-N 468.557 4.425 10 10 JICE COc1ccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1C 2084900462 WLQLMBFBVGMRQO-UHFFFAOYSA-N 451.608 4.291 10 10 JICE CN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106777145 PTKORQCJYOZHCV-OAQYLSRUSA-N 463.619 4.156 10 10 JICE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2297604855 NWJLXYKAYZWAEE-UHFFFAOYSA-N 462.531 4.215 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)C(C)=O 2314926839 UALSCWNRNMBTNT-OALUTQOASA-N 469.584 4.330 10 10 JICE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323812862 WFQDFKHCWRWKGB-JTQLQIEISA-N 450.763 4.263 10 10 JICE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(C)n1-c1ccccc1 11085649 ZLNNIHIAFGBUMD-CAPFRKAQSA-N 491.657 4.466 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 11591643 ULRWSQOXFCLEKV-RUZDIDTESA-N 481.911 4.299 10 10 JICE COc1ccc(O)c([C@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659046 WBTSOTMEBXKFQB-XMMPIXPASA-N 494.551 4.232 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 33792961 UFBIMAGERBJZGI-WMUNWQNWSA-N 498.586 4.191 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310982 VKYRAGSVPDCQLR-DEOSSOPVSA-N 486.678 4.425 10 10 JICE Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C 96460755 ZAVPRSJEZVHNDU-KKVJOTPGSA-N 483.619 4.050 10 10 JICE O=C1[C@H]2[C@H](c3ccc(F)cc3F)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100647706 OQEPCWVNTPCEDO-HKBOAZHASA-N 493.849 4.313 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208272785 IHDOFJKWJHHOFS-BBJIBYMTSA-N 466.632 4.486 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526380844 BPFWHBCQNGJVFQ-DEOSSOPVSA-N 479.485 4.189 10 10 JICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526565941 GHLJVFFOFNDXGL-XMMPIXPASA-N 493.487 4.487 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Cl)c1O 1084534820 TXSNHMVVWGWOIT-SDQBBNPISA-N 479.714 4.100 10 10 JICE O=C(O)CCc1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1-c1cccs1 1858070645 YSNHSVKLRHZWGM-UHFFFAOYSA-N 473.395 4.452 10 10 JICE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858594342 VOFKPSJXCGCMGR-VGVSSDJJSA-N 466.353 4.485 10 10 JICE CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860265038 KFINZZFZEIEEOT-MRXNPFEDSA-N 470.953 4.134 10 10 JICE CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862213089 WTKZVDRSYOYCKD-HFZDXXHNSA-N 481.637 4.220 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864009809 FDUPWARURFMBLQ-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CCCNC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871133524 DQZGEOINQFVADH-UHFFFAOYSA-N 491.636 4.061 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164642 KSXZOBAPFBETCJ-UHFFFAOYSA-N 492.579 4.438 10 10 JICE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)o2)c([N+](=O)[O-])c1 2053527815 DGCCOYKRQLLLSU-QGZVFWFLSA-N 462.505 4.174 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2293168039 IJIWGCVEDVBNPA-UHFFFAOYSA-N 459.589 4.275 10 10 JICE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228101 GZWQRMWJOQZOSK-JOCHJYFZSA-N 470.554 4.450 10 10 JICE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 2294095286 NSRSKRPWSRSHFK-UHFFFAOYSA-N 477.300 4.247 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 2297349445 RPLSGYNEECCLII-UHFFFAOYSA-N 490.990 4.452 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 2314490630 ZRMQENGPWMFYSU-UHFFFAOYSA-N 456.458 4.418 10 10 JICE CCOc1c(Br)cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 33668059 KMCLBAIBCIRTCJ-LZYBPNLTSA-N 459.296 4.361 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)c3ccco3)CC2)cc1 38619339 HAMUUSFIYHNFLD-SANMLTNESA-N 495.645 4.009 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc1[N+](=O)[O-] 59861365 LHSNWKFXIZJJBZ-MDWZMJQESA-N 474.267 4.489 10 10 JICE CCOCCCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586630655 WCSXJHAYDNMOAY-UHFFFAOYSA-N 471.513 4.262 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3F)n2CCCSc2nccs2)C1 1301648891 FEUATFAGQDTDMP-KRWDZBQOSA-N 474.631 4.028 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858592740 VYMDJKBICCDQPN-WNLSXJKCSA-N 482.352 4.191 10 10 JICE C[C@H]1C(=O)Nc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)cc21 1859572896 PQUSYBPLPAYUIW-SECBINFHSA-N 464.912 4.228 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)sc(C)c1-c1ccccc1 1860627327 CWFBNUSJTHKKSH-LJQANCHMSA-N 470.591 4.256 10 10 JICE CCCC[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862305048 WWSJPMLXDQPVDQ-OAQYLSRUSA-N 461.965 4.125 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(CC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009894 MVHHAFHLYMYFKS-NPMXOYFQSA-N 476.577 4.147 10 10 JICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864013852 HOCSJLYUZSRHMP-JOCHJYFZSA-N 482.540 4.090 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017310 JMDZYFHSTSLKQH-DEOSSOPVSA-N 496.567 4.165 10 10 JICE CCN(C(=O)C(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1866213118 PJDOKDDTMMVKCH-VWLOTQADSA-N 464.654 4.475 10 10 JICE Cc1ccccc1CCCC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867133026 ASQCNHNIRCHXAY-GOSISDBHSA-N 454.526 4.237 10 10 JICE Oc1c(Br)cc(Cl)cc1CNC[C@]12CN(Cc3ccccc3)C[C@H]1CCO2 2175204267 YTOYKFHSDYBVCA-UTKZUKDTSA-N 451.792 4.189 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 2296881568 OYELAKCKFJSWAV-UHFFFAOYSA-N 468.556 4.267 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1C 2297469471 JAWIPJYROPXMBE-UHFFFAOYSA-N 488.617 4.343 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)Nc4ccc(C)cc4)n3)CC2)cc1 8852721 IOTJCHIPXSHBKZ-UHFFFAOYSA-N 496.658 4.082 10 10 JICE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14461683 COLROSMAGUYXFG-NLJOTIRTSA-N 480.678 4.295 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356526 FYMQTYVQFLDFNA-VYIPLNHISA-N 489.557 4.057 10 10 JICE CCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@@H]34)cc12 1614472999 ZJECBEHNJWVTRZ-URXFXBBRSA-N 456.627 4.472 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3cc(Br)ccc3c2=O)N2CCCCC2)cc1 1866455862 BKBKXIUWHJOUHQ-QHCPKHFHSA-N 497.437 4.314 10 10 JICE CC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866838915 CZZJUBJNCQEMIF-AOMKIAJQSA-N 472.516 4.313 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868696639 LMOAYWUBXQKBCV-RUZDIDTESA-N 465.638 4.377 10 10 JICE COCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168639 CWRREKXOYGRXRB-UHFFFAOYSA-N 487.600 4.106 10 10 JICE CCOc1ccc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OCC 2040398795 YTFSTYNVWFBUTK-UHFFFAOYSA-N 451.592 4.272 10 10 JICE CC[C@@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2079023829 VNNFPYJITDTUSB-ZDUSSCGKSA-N 454.308 4.339 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Br)cc1 2293250172 CAUJVEPPTJXFLM-UHFFFAOYSA-N 461.337 4.143 10 10 JICE COc1cccc(OCCn2cc(C=C3C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 2293692816 ACFOJVZLAYCVCD-UHFFFAOYSA-N 453.498 4.190 10 10 JICE Cc1c(N2C(=O)C(=Cc3c[nH]nc3-c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296709014 AOMLLTZZFCSTBP-UHFFFAOYSA-N 473.583 4.280 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cccnc1 2296756253 SLUCLDMBSGIFHY-UHFFFAOYSA-N 462.394 4.464 10 10 JICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297352868 OWBJWJSDTMYEMZ-UHFFFAOYSA-N 489.601 4.434 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCc1ccccc1 2297354678 VNESVQKVANSNLU-UHFFFAOYSA-N 478.526 4.327 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Cl)c1OC 2313549416 VPGPGTXAOAYOAL-UHFFFAOYSA-N 493.741 4.403 10 10 JICE CCCOc1ccc(Br)cc1C=C1SC(=S)N(CCCC(=O)OC)C1=O 2314761833 YAJANVSLQMQPKT-UHFFFAOYSA-N 458.399 4.392 10 10 JICE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314837902 YBDHWVNMLUCFMX-SNVBAGLBSA-N 468.478 4.345 10 10 JICE Cc1ccc(CNCc2c(Br)c(Br)nn2C)c(O)c1Br 2381134100 XVCWCYWOTKZOEE-UHFFFAOYSA-N 467.987 4.011 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641157 CMTKLYDJAMKXDR-YBJWPOLQSA-N 464.562 4.448 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15044899 CJKZPKCWDCXDON-SSZFMOIBSA-N 499.452 4.192 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)c2C)cc1 33248158 ZWSWPQJCIDCQTL-RGVLZGJSSA-N 487.468 4.116 10 10 JICE CCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 33341283 AIWMYTHLAFVHHD-WOJGMQOQSA-N 450.589 4.145 10 10 JICE CCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 40927754 MGCMLRMUAKUGGJ-NXVVXOECSA-N 483.409 4.032 10 10 JICE COc1ccc(-c2cn3c(CC(=O)NCc4ccc(N(C)C)cc4)csc3n2)cc1OC 65079604 JQUNWPLSENDFJS-UHFFFAOYSA-N 450.564 4.005 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 83296422 RSXIHKRPDWZYHF-SXGWCWSVSA-N 455.253 4.385 10 10 JICE CCOc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OCC 103567575 KAQZSSSXUHLUDS-OVCLIPMQSA-N 465.731 4.361 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)cc2)CC1 1616251484 FMGKQAKZHKEUOT-OAQYLSRUSA-N 458.606 4.313 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cc2)CC1 1616253053 ZKPWCYDRYVTJLG-NRFANRHFSA-N 453.652 4.498 10 10 JICE CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860252741 BYFXRXIHVTVHPX-UHFFFAOYSA-N 464.562 4.180 10 10 JICE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1cc(Br)cc(Br)c1O 1952134037 BZMNECLLHBRCFF-GWCFXTLKSA-N 450.171 4.317 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079874598 HMWVBAPHLIONDL-AWEZNQCLSA-N 466.266 4.267 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(N=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2124507069 FHFJIAUKLSBLME-UHFFFAOYSA-N 456.591 4.237 10 10 JICE C[C@@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 2259379813 SPTSOSFYDRZBDF-OAHLLOKOSA-N 453.555 4.038 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 2293308773 WRBFNWUUPIYXSE-UHFFFAOYSA-N 464.362 4.474 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC 2297349389 JIYISGORSRKNKF-UHFFFAOYSA-N 458.561 4.030 10 10 JICE O=C1C(=Cc2cc(I)ccc2O)SC(=S)N1Cc1ccccc1 2313507275 BSVAUJOPEJLBTG-UHFFFAOYSA-N 453.326 4.398 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2314414112 PXPVFMJWHVXKHR-UHFFFAOYSA-N 492.626 4.095 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836985 MPPJLKZGPACGQQ-SNVBAGLBSA-N 479.377 4.089 10 10 JICE CC(=O)NCCN1C(=O)C(=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 2323719914 QRMLRIIZXHDSJU-UHFFFAOYSA-N 490.960 4.467 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15035204 CULURBPHTXFXDH-SXGWCWSVSA-N 463.378 4.303 10 10 JICE C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15040727 YPILSITTYZZPGM-NOMGLIDZSA-N 470.572 4.050 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cnc(C5CC5)o4)ccc3C)CC2)cc1 21034224 ULRCXPHYDSYJND-UHFFFAOYSA-N 453.564 4.047 10 10 JICE CCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310891 HAQYAHGFLPEADY-QHCPKHFHSA-N 458.624 4.151 10 10 JICE COc1ccccc1CCC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 62694297 HNAUYCBKZHDYHM-UHFFFAOYSA-N 459.590 4.062 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1OC[C@H]1CCCO1 71933461 ZXOSINBXGQQPQO-LJQANCHMSA-N 464.484 4.030 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 97595329 CPZXZIBHBLVGPI-DEDYPNTBSA-N 453.564 4.257 10 10 JICE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1631425784 OQSPVGCDFCJDSK-PGRDOPGGSA-N 458.986 4.115 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nc2c(s1)CCC2 1860344972 LIWUQGHLMVBFBB-UHFFFAOYSA-N 467.554 4.158 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867984354 VMOYGJKQCDYZMM-PMACEKPBSA-N 477.584 4.232 10 10 JICE CCC[C@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868853661 SZXWMYLHBBLRCH-LOSJGSFVSA-N 469.601 4.208 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)Cc5cc(OC)ccc54)nc(C)n3)CC2)cc1 1869296187 GAQCVSCCHCHZPO-LJQANCHMSA-N 459.594 4.459 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970015 LTQGZAQPOXIGNI-UHFFFAOYSA-N 462.598 4.286 10 10 JICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N([C@@H](C)CC)C2=O)CC1 1873162188 JPFPLAGZZUKMCP-SFHVURJKSA-N 492.620 4.183 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165059 AFOVGNJVFFULLW-UHFFFAOYSA-N 481.637 4.394 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2040862546 XHJUYNNTXWXWJI-LBPRGKRZSA-N 472.327 4.383 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 2294095304 PAJASJDGZDCIML-UHFFFAOYSA-N 457.442 4.149 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1 2296053620 MYCOSCDLPLGARE-UHFFFAOYSA-N 469.526 4.337 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 2297500594 BPGFDBBIHUDNAO-UHFFFAOYSA-N 450.541 4.413 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1nccs1 2330260 BWHKYKOLXMLKOU-OQLLNIDSSA-N 454.305 4.469 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 3264530 CIIKRGRNZARRHF-ZDLGFXPLSA-N 490.990 4.040 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)C5CCC5)ccc4n3)CC2)cc1 33010423 POHMQABMEDFDIR-UHFFFAOYSA-N 460.534 4.007 10 10 JICE CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 83302909 OKTSJWPJFNQQFF-RCCKNPSSSA-N 451.519 4.018 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526525323 FIRZGVOGSQTQQZ-DEOSSOPVSA-N 491.496 4.349 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)CC2)cc1 743303818 CESZPJYOPBTLOU-UHFFFAOYSA-N 497.983 4.138 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018913 DBYOUDXPAYMKTF-QHCPKHFHSA-N 488.588 4.049 10 10 JICE CC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054601 UBTXOZKTLWSTRS-QLVXXPONSA-N 466.537 4.489 10 10 JICE CC[C@](C)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867667154 CDIURNBMYIGSID-WNJJXGMVSA-N 489.664 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868721753 ZGQHXQIEOZRWKP-KDYSTLNUSA-N 489.591 4.210 10 10 JICE COCCOC(=O)c1sc2nc(C(Cl)=Cc3ccc(N4CCOCC4)cc3)nc(O)c2c1C 2053614898 OYARFSJTFPTBHU-UHFFFAOYSA-N 489.981 4.082 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 2313683411 ZIJZGYNELMFQAT-UHFFFAOYSA-N 472.501 4.427 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 2314508326 OVQBWAUSAKUBBV-UHFFFAOYSA-N 495.582 4.170 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2314842539 YKMUXOZDXFFRFY-UHFFFAOYSA-N 490.990 4.342 10 10 JICE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 40867438 RDYJEXOTAYPLNP-MOSHPQCFSA-N 457.573 4.347 10 10 JICE COc1ccc2[nH]c(CCNC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)cc2c1 1081155410 GJQHVQHMTSFAIY-CPNJWEJPSA-N 471.629 4.188 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860761332 QYLVDMOJNDLMLV-UHFFFAOYSA-N 452.532 4.087 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CC3CCCCC3)CC2)cc1 1862113699 MMSPOVKCVUNOEB-SANMLTNESA-N 463.622 4.042 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033063 QWACNHIUSDQOBM-UZUQRXQVSA-N 488.588 4.107 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033181 UFLGSBVQOXKSJL-XMMPIXPASA-N 496.567 4.199 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)cccc21 1874180078 ZAQKMTKBOSTSAM-INIZCTEOSA-N 458.901 4.103 10 10 JICE C[C@H]1CN(Cc2ccccc2)CC[C@]1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881516123 OAMGYLNTIPQNET-KDYSTLNUSA-N 452.643 4.387 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040498568 MUMRBURPCPUQMZ-UHFFFAOYSA-N 494.598 4.037 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079862416 OTTOVQHHHFCXPB-AWEZNQCLSA-N 482.240 4.103 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 2297347859 ZHMCFHVDHAQACB-UHFFFAOYSA-N 481.892 4.497 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3nc4ccccc4s3)C2=O)cc1 2314913632 JKIRHMSPLQJIJF-UHFFFAOYSA-N 483.640 4.255 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 13638743 CHUYJGCQJNFOKE-IPJJNNNSSA-N 475.408 4.297 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(C)c3)ccc21 15962483 RRENLRDKBVITHW-UHFFFAOYSA-N 452.668 4.299 10 10 JICE COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 20071420 UQCGEOSXXJDKNG-PXDATVDWSA-N 460.486 4.438 10 10 JICE Cc1cccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1 32980978 UZFDYKWPHMWXLW-INYGCOGDSA-N 476.606 4.184 10 10 JICE CC(C)CN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 33422679 PMKQLFJUHRKBFI-GZTJUZNOSA-N 455.536 4.483 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1F 35962109 REWROKHUCGIICG-DEOSSOPVSA-N 496.970 4.284 10 10 JICE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1 47133641 SAKHIIRRLOEEAR-DHDCSXOGSA-N 456.574 4.255 10 10 JICE COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1 104345259 BDFKYVUUIIPPAL-WDZFZDKYSA-N 480.572 4.320 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 205692046 HGBTXSYLISOHOX-CPNJWEJPSA-N 487.559 4.319 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 748992650 QXZUIADZGZNDCL-UHFFFAOYSA-N 453.339 4.160 10 10 JICE CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 1469105723 UMSOUXZEDFMDTO-UWJYYQICSA-N 458.509 4.054 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5c(ccc6ccccc65)n4)CC3)CC2)cc1 1858550926 OMRQSRVNOCVAGP-UHFFFAOYSA-N 497.599 4.062 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)s3)c3ccccc3)CC2)cc1 1862247912 CUPDRYAAYHQGMA-QFIPXVFZSA-N 469.994 4.230 10 10 JICE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015020 IBGYHVSYWJZECW-IIBYNOLFSA-N 476.577 4.227 10 10 JICE CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866965761 OHQCKXCVSLMFJI-QMHKHESXSA-N 472.516 4.484 10 10 JICE CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370854 LUNZBKJOHDJAKF-ZEQRLZLVSA-N 471.045 4.258 10 10 JICE O=C(CNC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868158164 XXVVHRKOJJCGGB-QHCPKHFHSA-N 472.928 4.364 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1868678834 MRGFSJZRMQURSG-GOSISDBHSA-N 458.002 4.086 10 10 JICE CCC[C@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868836093 ZRZGKNLNUUTXPV-RPWUZVMVSA-N 472.029 4.476 10 10 JICE COc1ccc(OCCN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166759 GNGVBQNOQQYVTD-UHFFFAOYSA-N 471.557 4.014 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCCN(C)C)C2=O)cc1 1873166991 NLAYUVUVXMJIQR-UHFFFAOYSA-N 474.580 4.055 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079984796 HYMHOMBEOIHXAF-QGZVFWFLSA-N 452.292 4.385 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2080001379 IAPKUPVHOFYPPF-QGZVFWFLSA-N 456.324 4.207 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccncc1 2294143724 BRMCNORMCKXITJ-UHFFFAOYSA-N 455.301 4.462 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1 2296079064 BFJLJVUERGPYRO-UHFFFAOYSA-N 463.921 4.449 10 10 JICE Cc1ccccc1OCCCn1cccc1C=C1C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 2297352779 VWVXWFWILJSAHR-UHFFFAOYSA-N 476.606 4.328 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3F)c3ccc(Br)cc23)C1=O 2313623729 BDYUTERUJWKYPA-UHFFFAOYSA-N 470.298 4.073 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 15769401 AKLRIUGWWRHMGH-RGEXLXHISA-N 493.497 4.177 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3cccc4ccccc34)C2=O)cc1OC 33340382 SGLXTGFKFRPUHT-FYJGNVAPSA-N 464.568 4.332 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 108575910 IBCPMFBOTCRQOI-AREMUKBSSA-N 492.019 4.429 10 10 JICE COC1(CNCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 708110234 AMFPTVHUTSOVPW-UHFFFAOYSA-N 463.800 4.314 10 10 JICE Brc1cc(CNCC2CCN(C3CCOCC3)CC2)ccc1N1CCCCC1 1662842604 ZEWXNPKPDIXHBF-UHFFFAOYSA-N 450.465 4.420 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018356 JEWJRSNDVSZKCZ-NRFANRHFSA-N 496.995 4.169 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865033852 IXIPACAKMVXULY-GUYCJALGSA-N 494.514 4.065 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868872428 OFPPJUINRHXKAL-DFBJGRDBSA-N 484.040 4.476 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCc3ccco3)nc12 2053516053 WEDLRISPDFETFZ-UHFFFAOYSA-N 454.577 4.065 10 10 JICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1 2296710745 YILALMHIAAYXNG-QGZVFWFLSA-N 450.585 4.292 10 10 JICE O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCCOCCOc1ccccc1 2297306635 MGIXRCMHBUHITM-UHFFFAOYSA-N 480.405 4.412 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2313503192 ZABGUOLEDRRNMH-UHFFFAOYSA-N 488.587 4.160 10 10 JICE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2314541584 OFBLDXURYQMNJB-ZDUSSCGKSA-N 485.370 4.173 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 1097510 LXRQLQAKQWSSRJ-QZQOTICOSA-N 481.599 4.052 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 33436445 RNXLYKURKRLGQJ-CPNJWEJPSA-N 487.559 4.232 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152223 VMYYZPPWAIABQN-AQTBWJFISA-N 457.533 4.224 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N12 96450618 FJXFRHTUTGFXBV-YGHDLIBZSA-N 453.505 4.113 10 10 JICE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N21 96460812 SXZHVUXZWJTBPO-ICZFKYGZSA-N 495.007 4.484 10 10 JICE CCCC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C(=O)[C@@H](C)O2 96773135 ORGFYMVOQDYBGF-MRXNPFEDSA-N 496.519 4.197 10 10 JICE CCCc1nn2c(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470467 RZIJTGXMPGOFOZ-NSNCLKJASA-N 498.597 4.473 10 10 JICE CN1C(=O)/C(=C(\Cc2ccccc2)C(=O)Nc2sc3c(c2C#N)CCCC3)SC1=S 211924048 GSEATXASNLYSLV-SDXDJHTJSA-N 453.614 4.424 10 10 JICE COc1ccc(C)cc1S(=O)(=O)N(C(=O)C(C)C)c1cccc2c1C(=O)c1ccccc1C2=O 586282547 XEPKSIOGEUXJQW-UHFFFAOYSA-N 477.538 4.157 10 10 JICE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)sc3C)ccc21 1859572771 GWSYUNYMXVTEQI-UHFFFAOYSA-N 492.966 4.390 10 10 JICE O=C(Cc1cccs1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860507450 ZVZDYJSYFRNQJY-UHFFFAOYSA-N 467.506 4.352 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862119905 AEGBABPNXXGKMH-UHFFFAOYSA-N 471.601 4.071 10 10 JICE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)CC2=O)cc1 1865925783 RFOCGXKCBOXFRB-NVXWUHKLSA-N 498.601 4.218 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(Br)cc4c3=O)cccc21 1866070022 DDMAZPXTUIWKCX-UHFFFAOYSA-N 473.282 4.318 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869081286 HCHWBEMTLPODOX-FGZHOGPDSA-N 473.621 4.016 10 10 JICE Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)c1 1892138986 PFOKSTHHKHFMRB-OZXSUGGESA-N 489.641 4.392 10 10 JICE O=C1C(=O)[C@H](N[C@@H]2CCCC[C@H]2N2CCCC2)[C@@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395935 YPXGJWCPLUUHRX-ZJPYXAASSA-N 477.449 4.022 10 10 JICE CCOc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296754958 WPVNXTQRCGULBQ-UHFFFAOYSA-N 456.545 4.044 10 10 JICE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2297341656 DQQNVYWUIRGXSX-UHFFFAOYSA-N 477.860 4.494 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 2313683269 WBPVTOGQNMYLLC-UHFFFAOYSA-N 495.923 4.102 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc(Br)c1O 2326973139 LGLGBVGFOBIZOQ-UHFFFAOYSA-N 480.361 4.263 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)CC2)cc1 8611531 YYZHTAGPPODXMU-UHFFFAOYSA-N 484.600 4.369 10 10 JICE CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccc(OC)cc5)CC4)CC3)sc2c1 9971449 DBOIFDMHQZGAPH-UHFFFAOYSA-N 480.634 4.269 10 10 JICE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)COc1ccccc1OC 19855493 IAAYOLBUXBINDT-UHFFFAOYSA-N 458.518 4.091 10 10 JICE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N12 20154696 DXSSORQEDLWNSS-JJEZRMFNSA-N 452.561 4.392 10 10 JICE N=C1/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 20356296 GOOZLGFMHFHCGF-NJQZLNALSA-N 495.992 4.470 10 10 JICE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@H]21 20748870 RQTHEVPAIGPIBW-LOJFUVEFSA-N 454.592 4.369 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1nc2ccccc2s1 40324207 SSMHCVOYKJSAKI-AQTBWJFISA-N 471.604 4.386 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=N)N12 96450485 YYXWQYOZYGZVHY-SLWLXCFBSA-N 452.561 4.392 10 10 JICE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]23)c1 105526420 SMMJTBMRNQENQR-OWYCYUENSA-N 465.505 4.247 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(NC(=O)c4cccnc4)sc4c3CCCC4)CC2)cc1 109105016 YLEGGATVMORLFO-UHFFFAOYSA-N 476.602 4.245 10 10 JICE Cc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=O)N(c5ccc(F)cc5)C4=O)o3)[nH]c2c1 1084428159 XFVQSUDXBJXWNJ-WJDWOHSUSA-N 462.462 4.421 10 10 JICE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705745268 FIUIZRNMSZXMBH-FQEVSTJZSA-N 469.033 4.262 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1869129919 KZSWYVITQGZJTR-GOTSBHOMSA-N 486.664 4.478 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873164945 ZOYRXHWGWLBGDW-UHFFFAOYSA-N 483.547 4.069 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314827732 LJPAQDHDALARQY-UHFFFAOYSA-N 490.990 4.452 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 20208437 GQCXBIPHPGOXMG-PZRDSRLZSA-N 483.358 4.265 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 20289440 AXZPGDFBCOMVOG-KBMIEXCESA-N 495.645 4.456 10 10 JICE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccccc2)C1=O)Nc1nccs1 33570385 CPXBHKAPPSWFPI-BOPFTXTBSA-N 498.567 4.475 10 10 JICE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccccc1I 59371663 OLPCNIJMKJHCRB-OQLLNIDSSA-N 497.339 4.470 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1 526156338 JPDYIQZDFGAOPX-XMMPIXPASA-N 461.470 4.325 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526277259 SMLDBBVGTFRMRV-QHCPKHFHSA-N 461.470 4.340 10 10 JICE O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2c3c(c4ccccc42)CCC[C@H]31 1858183581 LQIWRBZVXVUBKB-XMMPIXPASA-N 463.603 4.349 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cc(F)ccc4F)CC3)cccc21 1860604338 PPQHWGSFNLJGAB-UHFFFAOYSA-N 474.463 4.231 10 10 JICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864009814 FIEDLBZJYJMXGV-OWJWWREXSA-N 484.556 4.354 10 10 JICE CC[C@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597027 GPQFWCJXPNKERU-NRFANRHFSA-N 458.489 4.067 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)COc4c(C)cccc4C)n(C(C)(C)C)n3)CC2)cc1 1869970335 JCTWGOJGJZLMDU-UHFFFAOYSA-N 492.624 4.003 10 10 JICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873423514 DLDOZGZHYYMBAO-UHFFFAOYSA-N 457.530 4.481 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 2294199241 HPLKJPVVJPALRN-UHFFFAOYSA-N 480.492 4.384 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2314509719 XLGOSUSLZQOKCI-UHFFFAOYSA-N 497.598 4.123 10 10 JICE CC(C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533420 ZRGWOTDHKNWBGB-VHEBQXMUSA-N 471.991 4.305 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O 6147103 CALUWWXSCXQEHY-JXAWBTAJSA-N 451.910 4.246 10 10 JICE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 35300197 PXPVFMJWHVXKHR-HKWRFOASSA-N 492.626 4.095 10 10 JICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 39835743 AEGZCILILDBEPG-WOJGMQOQSA-N 495.582 4.204 10 10 JICE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)c2C)c1 59271033 CDMMPDGIIMTUKV-VWLOTQADSA-N 451.473 4.331 10 10 JICE CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(OCC(=O)NC(C)C)cc1 96834054 PSEKJFOIGYVMKX-LFVJCYFKSA-N 492.572 4.256 10 10 JICE CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC12CCCCC2 1596150026 OFSKEDZEGWKYAN-UHFFFAOYSA-N 456.610 4.026 10 10 JICE CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(Oc5ccccc5)cc4)CO[C@@H]32)cc1 1616131195 SYUWSMNNOZFIGM-FPCALVHFSA-N 489.572 4.418 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860651079 JPHHMZCHDHYGPD-VQTJNVASSA-N 484.618 4.483 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862120880 UQYXJVNIGOFDDT-HHHXNRCGSA-N 483.612 4.167 10 10 JICE CC[C@](C)(NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862142773 BBJFQEIRWCXXKJ-CRQXQDGGSA-N 463.622 4.466 10 10 JICE CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862280940 BPBJDRKTBZGUOX-XMMPIXPASA-N 451.611 4.240 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864016944 AQFFGCMDPFAZAE-CGYQNGNCSA-N 488.588 4.235 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)c2nccn2C)cc1 1865976029 SZQPGOLYDYUQLL-FQEVSTJZSA-N 452.356 4.249 10 10 JICE CCN(CC)c1ccc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866559497 FJRWLQJQZPHKEH-HHHXNRCGSA-N 489.664 4.397 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867984235 PLJJHLGVQQAINZ-UHFFFAOYSA-N 490.627 4.148 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891886931 KSHNMFQBJFMGHH-UPVQGACJSA-N 450.608 4.015 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2040480429 PUPLVFHYAXRIKK-GFCCVEGCSA-N 472.327 4.383 10 10 JICE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1 2154541105 KWNYCWRHQOXXAT-GHTZIAJQSA-N 451.792 4.331 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 2293218343 KRJBDAVRCQBWAO-UHFFFAOYSA-N 464.547 4.491 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCCOc1ccccc1 2293665848 ONGOWCDOLNZOMC-UHFFFAOYSA-N 472.497 4.128 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 2294229338 LMIRHMDZXNFCFD-UHFFFAOYSA-N 466.360 4.380 10 10 JICE CN(C)c1ccc(CN(C(=O)C=Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 2296543470 FAEIQLUCJDXPLU-DEOSSOPVSA-N 454.636 4.279 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc2c(c1)OCO2 2296881591 PZOHZHCFBJAFHP-UHFFFAOYSA-N 491.388 4.408 10 10 JICE O=C1C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 2297478185 FVSYULKQWFSURN-UHFFFAOYSA-N 464.373 4.342 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C)CC3)nc12 2314401467 ZLCXVOVTQAVAAO-UHFFFAOYSA-N 468.648 4.383 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2cccs2)SC1=S 2314831687 PWMGGVBSVPAVAW-UHFFFAOYSA-N 454.639 4.271 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 2314842174 DHPLHMWYKDPIHA-ZDUSSCGKSA-N 490.990 4.340 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCC(=O)c4ccccc4)n3)CC2)cc1 13654161 FEQDGSQZDUARAB-UHFFFAOYSA-N 467.616 4.018 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 20114540 KLXVNXOGLYPZLD-NRFXXVESSA-N 468.560 4.093 10 10 JICE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066441 WAUYRTIOEDKITD-UZQMFHLOSA-N 494.642 4.041 10 10 JICE CN1CCN(c2ccc(/C=C3/C(=O)N(c4cccc5ccccc45)C(=O)N=C3O)cc2[N+](=O)[O-])CC1 59859923 IJABERUWMQMJFO-HMMYKYKNSA-N 485.500 4.007 10 10 JICE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 918211102 CQQFJFVZVCCJFA-HSZRJFAPSA-N 492.998 4.216 10 10 JICE CCCCOC(=O)c1cccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c1 1860721425 SYLWCFHHVLCQTO-UHFFFAOYSA-N 469.763 4.493 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873170676 LUPUOBFMRFITDQ-UHFFFAOYSA-N 477.008 4.179 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421442 YAPHJQOSJNCYIH-UHFFFAOYSA-N 460.553 4.377 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cncc(C)c4)cc3)CC2)cc1 1874758786 ITHZFNGKSYMKMT-UHFFFAOYSA-N 458.562 4.046 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCC(NC(=O)OCc4ccccc4)CC3)ccc(N)c2C1 2044723699 DYJGYUKOBXNUSL-UHFFFAOYSA-N 480.609 4.457 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 2296545378 LXRQLQAKQWSSRJ-UHFFFAOYSA-N 481.599 4.052 10 10 JICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C1 2296716222 MCKWWAQNADCFEH-IYBDPMFKSA-N 468.648 4.321 10 10 JICE O=C(NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cccc2ccccc12 2297534269 BYFYKYJISIHDKD-UHFFFAOYSA-N 450.454 4.281 10 10 JICE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1C 2313559072 QFHFHQSBDGJAQR-UHFFFAOYSA-N 464.474 4.012 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314831680 PUYLUOCLAYQJMZ-UHFFFAOYSA-N 499.570 4.392 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2323809320 ZOOXZFXGGFLYRL-HNNXBMFYSA-N 453.463 4.308 10 10 JICE CC(C)Nc1nc(NC(C)C)n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2n1 27300347 GEUODFLFMCJFBH-UHFFFAOYSA-N 469.402 4.198 10 10 JICE COc1ccc2c3c(n(C[C@@H]4CCCN5CCCC[C@@H]45)c(=O)c2c1OC)-c1ccccc1C3=O 1615245103 YELDFPKLSCCGPR-UWJYYQICSA-N 458.558 4.495 10 10 JICE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N(C)C 1705879360 WECUMMMNTOYSFA-UHFFFAOYSA-N 472.593 4.269 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c2nccn2C)cc1 1866003748 PQABPSFFOYWQDE-DEOSSOPVSA-N 454.530 4.225 10 10 JICE CCc1sc(NC(=O)C2(C(=O)O)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866033509 XDNPTWSDOHDOCX-UHFFFAOYSA-N 452.326 4.330 10 10 JICE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866244814 UUKNIXPPWVUFDH-UHFFFAOYSA-N 477.542 4.147 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867330533 DRQOIEYOJFWUMD-LBNVMWSVSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](C)c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868680533 ANVNTDZVJZLJIB-DFBJGRDBSA-N 472.029 4.332 10 10 JICE CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870992342 QALVTDVJRMTIPG-VWLOTQADSA-N 490.604 4.240 10 10 JICE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421183 KZSJXRJUDZEIHD-UHFFFAOYSA-N 456.590 4.465 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(C4CC4)[C@H]3c3ccccc3)cccc21 1874179171 RSSYXOXGUOVHQO-OFVILXPXSA-N 450.494 4.153 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)cc1 2313533007 JNLNPWFRHLRLGD-UHFFFAOYSA-N 467.322 4.477 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O)C(=O)O 2314931112 CJDUXCFHLCDOBD-GOSISDBHSA-N 457.573 4.381 10 10 JICE CC[C@@](C)(NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330133821 RLPDQJPFJVZGOP-AREMUKBSSA-N 470.013 4.386 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(CC)C(=O)CO4)cs2)cc1C 11857958 VULBWHYLUSLBAA-UHFFFAOYSA-N 487.603 4.372 10 10 JICE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccc(Br)cc1 14231155 KITCDXDILIEZEZ-UHFFFAOYSA-N 476.396 4.359 10 10 JICE CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccc(Br)c(C)c2)C(=O)N=C1O 33323211 NGNMNSDNKZOFDH-WJDWOHSUSA-N 487.306 4.206 10 10 JICE COc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC(C)C 33411738 WNKKAWNXTFCIDB-OVCLIPMQSA-N 465.731 4.360 10 10 JICE CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(Cl)cc(Br)c2O)CC1 1181986002 JMAAHGPXHMZZPH-UHFFFAOYSA-N 458.809 4.278 10 10 JICE CCOC(=O)c1c(NC(=O)c2csc3ncn(C)c(=O)c23)sc(C)c1-c1ccccc1 1860402646 ZFLOEZVGOORZSK-UHFFFAOYSA-N 453.545 4.461 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 1860738129 PURVXIKMZNMVKR-UHFFFAOYSA-N 471.469 4.302 10 10 JICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012552 CXOUKDSBPMQFNX-OYHNWAKOSA-N 494.567 4.044 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034968 ILLFUWPURBXDKJ-NRFANRHFSA-N 496.995 4.121 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c2nccn2C)cc1 1866289269 CZLGWWAQTWOJKO-DEOSSOPVSA-N 452.514 4.265 10 10 JICE CCOc1ccc2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1 1866291552 GDMJPXRIEPZORC-DEOSSOPVSA-N 463.578 4.215 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3ccc(C(C)(C)C)cc3[nH]2)c2nccn2C)cc1 1866518394 GDBAJYGUGADVFA-XMMPIXPASA-N 457.578 4.145 10 10 JICE CC[C@](C)(NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316409 GNIBQBQUOABQCQ-LSYYVWMOSA-N 480.653 4.003 10 10 JICE O=C(CCCc1cccc(Cl)c1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868152283 BNVKIBSZQSSNIC-UHFFFAOYSA-N 460.917 4.193 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1869209284 SITNYARQACEAGM-OYRHEFFESA-N 459.594 4.092 10 10 JICE CCCCOCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169824 XTDRJAZHORUMFH-UHFFFAOYSA-N 494.680 4.312 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(OC)cc1 2293273315 DOGCMGJTRSYSOU-UHFFFAOYSA-N 474.513 4.013 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 2294095316 PMTMACIICSWRIZ-UHFFFAOYSA-N 456.079 4.128 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2314399971 GHYOJAAVGCWVOB-UHFFFAOYSA-N 483.640 4.474 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O)C(=O)O 2314933666 WWGBEDHRUGIXES-OAHLLOKOSA-N 476.963 4.128 10 10 JICE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470764 XUTQEYGCSFHVTE-HOIFWPIMSA-N 475.954 4.096 10 10 JICE Cc1ccc(N2C(=O)/C(=C\Nc3sc4c(c3C#N)CCCC4)C(=O)NC2=S)cc1Cl 254865265 CKLSBBBCKHFLBD-GDNBJRDFSA-N 456.980 4.204 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c(OC)c1 1084522465 VJGQRLDINWHNKV-BOPFTXTBSA-N 468.918 4.449 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)c(C)cc3Br)c2)CC1 1522406779 OAYHIWQBDMCAEN-UHFFFAOYSA-N 450.764 4.332 10 10 JICE O=C(CCNCc1cc(Cl)cc(Br)c1O)NCCc1c[nH]c2ccccc12 1860715550 LSRCTWBHXTZYQT-UHFFFAOYSA-N 450.764 4.128 10 10 JICE CCCC[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862141783 LSHQFVOTFHTWLV-NNALFKCQSA-N 470.013 4.386 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1866020283 BYVDBASAPWGJAH-VWLOTQADSA-N 465.598 4.218 10 10 JICE CCCC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868936464 FWQCYQCPASSDEO-AREMUKBSSA-N 493.648 4.299 10 10 JICE CCCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871529773 KXFYVTCIZIVCOZ-UHFFFAOYSA-N 491.640 4.373 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550347 KTPZXAIDIAZVIB-UHFFFAOYSA-N 475.641 4.013 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079874939 MGHGALFIKQRLKV-CQSZACIVSA-N 464.250 4.021 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079998187 NMEFEXFTPHZACE-INIZCTEOSA-N 470.307 4.413 10 10 JICE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccccc1C 2297306651 QHFHVEJNTAAPKX-UHFFFAOYSA-N 459.589 4.309 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 2297333706 FYCPMSHPWOEFOB-UHFFFAOYSA-N 476.923 4.100 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C(=O)NC2=S)cc1Cl 2313630133 MTRRBVALOZCZFM-SFHVURJKSA-N 457.983 4.077 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314832031 YEYHCNHFHKDNQJ-UHFFFAOYSA-N 499.452 4.192 10 10 JICE O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 33789242 FLJLTULKLNNJAH-HMMYKYKNSA-N 476.464 4.446 10 10 JICE CCC(=O)NCCc1c(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)[nH]c2ccccc12 38182012 BYJZGBLNIFBACJ-SSZFMOIBSA-N 464.909 4.397 10 10 JICE Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Br)c1 89267725 QLMTZZFYBIECEK-HRIUQOHOSA-N 485.363 4.464 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210720136 AZIOJZYJXLYQBD-CPNJWEJPSA-N 486.571 4.109 10 10 JICE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 248052217 NPRWFGAKPCMZNY-DFIMXKNXSA-N 481.637 4.125 10 10 JICE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4sccc4Br)cs3)ccc21 727250150 HTKQONQWNPPOGA-UHFFFAOYSA-N 484.422 4.344 10 10 JICE CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 1084478546 PLUFFTDGSRMDAR-GDNBJRDFSA-N 473.323 4.221 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865030141 DHFDUMLPUIISGZ-HXUWFJFHSA-N 456.587 4.000 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(ccc4ccccc43)c2=O)c2nccn2C)cc1 1866076561 HBGOCWGLXMYXMK-HSZRJFAPSA-N 451.530 4.000 10 10 JICE CCC[C@@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867536651 JLOCNTSCXKGPDB-SXOMAYOGSA-N 494.680 4.393 10 10 JICE C[C@@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1868140756 XHMZVRUMAVWWPB-HNNXBMFYSA-N 460.917 4.364 10 10 JICE O=C1C(=O)[C@H](N[C@@H]2CCCC[C@H]2N2CCCCC2)[C@@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395918 RPXCZYQDQBXAET-AKHDSKFASA-N 491.476 4.412 10 10 JICE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106857078 HGMDRYBJCUQEBZ-NOZRDPDXSA-N 452.643 4.355 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2132358298 ZXVVLJDRKIJINQ-IIBYNOLFSA-N 458.603 4.008 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@@]12CCOC2 2155201821 MBXOKKGVIXBZQE-IFXJQAMLSA-N 461.784 4.066 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(Br)cc1 2293625477 VEQDEDUXFDZCFH-UHFFFAOYSA-N 466.378 4.404 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2294100510 WMNJRHLDBMFWRL-UHFFFAOYSA-N 467.821 4.183 10 10 JICE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 2297578801 FQSZSFDJZIMEGW-UHFFFAOYSA-N 496.307 4.241 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 16401440 OIBCGANTIOUDQS-QFIPXVFZSA-N 459.424 4.356 10 10 JICE O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/c1cc(Br)ccc1O 20413982 LOFRQLFRJVOSGQ-XDHOZWIPSA-N 476.371 4.082 10 10 JICE COC(=O)C1=CN(c2cccc(Br)c2)c2cc(Br)ccc2S1(=O)=O 64979285 UKIZNWXZKDMBSL-UHFFFAOYSA-N 473.142 4.151 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 102464138 FFSJHADXNCZCRP-JXOFPYFMSA-N 484.497 4.236 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCCC(=O)O 210465217 GZRXTUGQVVHUNF-GRSHGNNSSA-N 473.528 4.073 10 10 JICE C[C@@H](Nc1cc(I)cc(I)c1)c1ccc(O)cc1O 709784338 KRAWZIPCICBMKZ-MRVPVSSYSA-N 481.071 4.480 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C1=O 1084319564 XUCHYAYEBKAMOV-PDGQHHTCSA-N 466.335 4.492 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030635 NKTLEGICHQKLDZ-HYFFOGBASA-N 482.625 4.102 10 10 JICE CCCCCOc1cn(CCCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679401 LYBKCVFTCZPPRY-UHFFFAOYSA-N 485.669 4.301 10 10 JICE CCN(CC)CCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164149 ONIBYECETSGRJF-UHFFFAOYSA-N 499.659 4.481 10 10 JICE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425802 MMRLXWGKCYJMGR-UHFFFAOYSA-N 498.627 4.235 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(C)c3)CC2)cc1 1874642581 IPGGJNWJGOMWBZ-NDEPHWFRSA-N 496.611 4.175 10 10 JICE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)NC1=S 2294208522 RHQBVVXHGVADJA-UHFFFAOYSA-N 466.902 4.438 10 10 JICE Cc1ccc(OCCOCCOc2cccc(C=C3C(=O)NN(c4ccccc4)C3=O)c2)cc1C 2297306623 GZXVFUJUWBRAIP-UHFFFAOYSA-N 472.541 4.239 10 10 JICE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1cc(Br)ccc1OC 2313499014 AOVKUDGJDFIRRU-UHFFFAOYSA-N 458.308 4.344 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 2313549213 QALGMZAZVURKAF-UHFFFAOYSA-N 467.821 4.183 10 10 JICE Cc1ccc(CNC(=O)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2380724987 FWNUMJMYDBTEAU-GOSISDBHSA-N 451.308 4.018 10 10 JICE O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 7003125 SMGUVRHQFAUOOI-BOPFTXTBSA-N 451.822 4.170 10 10 JICE COc1cc(NS(=O)(=O)c2cccc3nsnc23)cc2sc(NC(=O)c3ccccc3)nc12 15863386 DIFKZCLBMURGJY-UHFFFAOYSA-N 497.583 4.363 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356524 ZDZDLFFHZWPWHE-BJRGRWSZSA-N 490.545 4.236 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccccc1F 33457034 HDVLPZDCRXQGLF-BOPFTXTBSA-N 466.852 4.168 10 10 JICE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33912862 SCBXHWXOXOXTCP-YBFXNURJSA-N 464.616 4.472 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1F 33925464 UREJNCSAPJPMQV-XMOAORJKSA-N 487.516 4.476 10 10 JICE CCCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 34107760 KEVYJIOCEWCEQO-AQTBWJFISA-N 450.607 4.376 10 10 JICE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066981 SITNPZDNISZWDN-JMIUGGIZSA-N 496.614 4.000 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N21 96460573 UQMBIDNZANDZKQ-NWECJKKASA-N 490.010 4.067 10 10 JICE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 248040866 KPTTYHMYCVRAGU-MGQBIDJDSA-N 489.616 4.305 10 10 JICE C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N2CCOCC2)cc1 726707878 GRBBHZGMKWAXQS-RXVVDRJESA-N 479.556 4.363 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCCCC3)C4=O)CC2)cc1 1860364255 NDOWROKQVCJMTM-UHFFFAOYSA-N 475.589 4.367 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=S)NC)CC2)sc(C)c1-c1ccc(OCC)cc1 1860633141 XPBLTWJAHAADBI-UHFFFAOYSA-N 489.663 4.454 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N=c2cc[nH]c(C)c2)sc(C)c1-c1ccc(OCC)cc1 1860747901 AWBOFUOBJNCTEV-UHFFFAOYSA-N 467.547 4.001 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864007730 SVRVJQZHVWRVJL-DEOSSOPVSA-N 486.572 4.293 10 10 JICE CC[C@@H](C(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868839032 XBLWMHDACAOFCG-ZEQKJWHPSA-N 472.029 4.476 10 10 JICE CCn1c(C(=O)NCc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570521 XCWGNHAGJFZQSI-UHFFFAOYSA-N 484.604 4.025 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2ccc(Br)cc2O)C1 2025252335 SAADVCPMYYRXRO-NRFANRHFSA-N 490.442 4.366 10 10 JICE COc1ccc([C@H](n2nc(C3CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080021785 AIAUXJPKICDBOS-KRWDZBQOSA-N 455.340 4.174 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)C12CCCC2 2194919471 XSVFNFGKPXLFGA-AREMUKBSSA-N 474.646 4.409 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 2296110497 QYUQTFAPLDFUSX-UHFFFAOYSA-N 468.351 4.496 10 10 JICE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2296545459 RXSFNMIIAHCXFZ-UHFFFAOYSA-N 480.527 4.123 10 10 JICE CCOc1ccc(CC2=NN3C(=N)C(=Cc4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OCC 2296650867 WZPYANCXCXHECH-UHFFFAOYSA-N 478.530 4.075 10 10 JICE Cc1[nH]c2ccc(Br)cc2c1C=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 2297361511 OHZLUUMXKGGEEU-UHFFFAOYSA-N 458.312 4.209 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC 2297576643 ZGATYJSDZSMOPS-UHFFFAOYSA-N 475.364 4.078 10 10 JICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC)c(OCC)c2)SC1=S 2314760459 KFUFXKICHRTPMR-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1810128 MUAUKYHOIPRQDK-VHEBQXMUSA-N 472.975 4.021 10 10 JICE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2701120 ZFLLTGOYIXJURR-IWKHNONTSA-N 465.600 4.350 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N5CCCC[C@H]5C)c4c3C)CC2)cc1 10013278 IAMRHDBWKFBCEM-QGZVFWFLSA-N 465.623 4.350 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(C)c3)c3ccc4c(c3)OCO4)CC2)cc1 17122604 LUOYRCHYBIJCBH-VWLOTQADSA-N 473.573 4.026 10 10 JICE N=C1/C(=C\c2cccn2-c2nnc(-c3ccccc3)s2)C(=O)N=C2SC(C(F)(F)F)=NN12 20209013 URWNGLXTQKZNBZ-WYORMMCISA-N 473.465 4.177 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 33373223 XVEXTDYVAAZBCD-OQKWZONESA-N 484.643 4.088 10 10 JICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33469417 BKZLWKDJWNDNFI-CPNJWEJPSA-N 456.637 4.182 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33780909 AELGFTDWYNVKQR-CYVLTUHYSA-N 486.663 4.313 10 10 JICE CCN(CC)c1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 54369907 JMGHGIVYNNQPJH-MZKRTTBSSA-N 463.500 4.321 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 59859038 MAXXNZHAEZNJTK-HAHDFKILSA-N 457.534 4.443 10 10 JICE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 102470166 ACKBLUUJZFFGEO-RWYGKYMDSA-N 487.585 4.206 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1865874411 QKUZQXFQNGAHIB-VWLOTQADSA-N 464.654 4.123 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)N2CCCCC2)cc1 1866498224 FVGMXOMPBUEMSV-HSZRJFAPSA-N 452.986 4.205 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867888442 KHCNQMCQGISGFM-LITSAYRRSA-N 493.696 4.061 10 10 JICE O=C(O)CC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951600260 JTIFDIWXRXHAFC-HNNXBMFYSA-N 463.486 4.291 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079849135 SHHYROPXWHDOOH-INIZCTEOSA-N 455.340 4.471 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 2294199373 XXYAHMAKWZFIMM-UHFFFAOYSA-N 450.466 4.375 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2296936109 ZONAFSPRNLPYDE-UHFFFAOYSA-N 470.865 4.269 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2314650662 VBZXLQWUUUFLKB-LBPRGKRZSA-N 496.906 4.027 10 10 JICE CC(C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1246344 QAQNDTGKFUXTIN-VHEBQXMUSA-N 471.991 4.305 10 10 JICE O=C(CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 15035681 TXVMVROHNSDRAZ-DHDCSXOGSA-N 467.450 4.454 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 96450542 OCYCVRZNINMMTK-CYPXAJCBSA-N 498.586 4.101 10 10 JICE COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)CC2)cc1 104804569 KIFSEAGDURKGIX-UHFFFAOYSA-N 478.980 4.362 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526227391 ATKDXENTCWPLCK-DEOSSOPVSA-N 479.485 4.189 10 10 JICE COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)n2)cc1OC 727243181 UVXLFVJUUBMXJK-UHFFFAOYSA-N 467.528 4.347 10 10 JICE C/C(=C\c1ccc(Br)o1)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1519556403 UABZCXZLSBPGAO-SAPNQHFASA-N 458.400 4.294 10 10 JICE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705812620 GQUMLUPHYYYJBF-UHFFFAOYSA-N 485.430 4.475 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4cc(C(C)(C)C)ccc4n3)CC2)cc1 1858510200 FRJKWLZVSQZBCE-UHFFFAOYSA-N 466.607 4.082 10 10 JICE CC(C)OC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826775 MKLQPXZKYHKSHU-BGARDKSCSA-N 460.577 4.220 10 10 JICE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864020234 WZYUNIPKWSDWBQ-HSZRJFAPSA-N 490.604 4.070 10 10 JICE CC[C@H](C)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865894198 RSDQEHRSZSSRJO-UQBPGWFLSA-N 476.621 4.104 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Cc5ccccc5)ccc4[nH]3)CC2)cc1 1866550208 GCYIWLAVGIDQMN-UHFFFAOYSA-N 453.542 4.090 10 10 JICE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873164708 OFRZVKNXTDQPDU-UHFFFAOYSA-N 450.627 4.296 10 10 JICE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1C 1873421172 KIZBCAMJACNKHV-UHFFFAOYSA-N 456.590 4.465 10 10 JICE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422320 QSIXDASQHWYNLE-UHFFFAOYSA-N 457.530 4.466 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 2314457906 NNXWXIWWGIUBJT-UHFFFAOYSA-N 450.545 4.000 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 2314930936 BDVPYQCGLMBUFG-UHFFFAOYSA-N 480.361 4.327 10 10 JICE CCCC[C@H](NC(=O)C=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330454038 OKTKSGBCJKIAOA-DEOSSOPVSA-N 470.013 4.386 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147521 JABHFHHADRKJOR-UHFFFAOYSA-N 460.486 4.261 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)cc2N(C)C1=O 11857780 BCVHKDWWDMJLBM-SECBINFHSA-N 455.970 4.070 10 10 JICE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 15046721 MMUYXTBKOFUDIY-QXGSTRBFSA-N 458.561 4.028 10 10 JICE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 16909888 IZSBJABYWGBSIJ-VIZOYTHASA-N 483.354 4.003 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356516 IUVHVPAGJBOLPX-VXRLCMPJSA-N 477.521 4.107 10 10 JICE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2C)c(OS(=O)(=O)CC)c1 34921765 UEKGNPGNKOKADG-UHFFFAOYSA-N 490.670 4.165 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC1CCCC1 35638395 CYYUJSNWRIXMCM-FOWTUZBSSA-N 453.427 4.489 10 10 JICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989691 QEINHJKFWRUCHV-SMLKNPDNSA-N 458.653 4.142 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526332857 GPEFFPHKBOPMIX-XMMPIXPASA-N 476.485 4.131 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526565541 LJGNMMAVTNVUFT-DEOSSOPVSA-N 475.497 4.267 10 10 JICE O=C(CNCc1ccc(Br)cc1F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860721465 VZMWXTPITGRNGX-UHFFFAOYSA-N 467.294 4.092 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011835 LVDJVOVRMOJTEN-QHCPKHFHSA-N 494.567 4.181 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031361 FIJCFMJSPVTIIN-OAQYLSRUSA-N 474.561 4.078 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(-n4cccc4)c3)c3ccccc3)CC2)cc1 1868612324 HBSZLNNNLAXPBQ-MUUNZHRXSA-N 494.595 4.306 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427681 WHWCLSMVSNHLFK-UHFFFAOYSA-N 497.643 4.446 10 10 JICE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)c(O)c(O)c1 1951858894 ZQARFRHJEXMOER-HSZRJFAPSA-N 463.486 4.494 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052592 OCWIACQSNRNUTJ-AWEZNQCLSA-N 465.257 4.287 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C[C@]12CCOC2 2155201823 MBXOKKGVIXBZQE-LIRRHRJNSA-N 461.784 4.066 10 10 JICE Cc1cccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 2296602879 CRPBAJABKSRKBI-UHFFFAOYSA-N 460.486 4.098 10 10 JICE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297561696 UAHIBZLTAKUCLP-UHFFFAOYSA-N 454.236 4.079 10 10 JICE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl 2313548879 HWRRHTWSYKVGQN-UHFFFAOYSA-N 494.887 4.452 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C(=O)NC2=S)cc1 6508298 IZCJRFBNPGNUBN-DHDCSXOGSA-N 451.331 4.232 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1 18077490 ZQGXSFNTQSGUMY-FDFHNCONSA-N 471.896 4.344 10 10 JICE CCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310889 HAQYAHGFLPEADY-HSZRJFAPSA-N 458.624 4.151 10 10 JICE COC(=O)C[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(Br)c1 108811750 WMPDMRGJJKSFOT-IBGZPJMESA-N 456.340 4.286 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526327923 LEKIGVLWTWQAQH-DEOSSOPVSA-N 479.485 4.189 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3nc4c(F)cccc4cc3Br)cc2)CC1 1651041810 FEWIZWSSIUKINS-UHFFFAOYSA-N 457.347 4.417 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008912 UYTISFRZVCKEFB-HSZRJFAPSA-N 476.577 4.291 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864009802 FCBFHXKIUDNGOM-FQEVSTJZSA-N 482.968 4.110 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867928672 JNGJRUUCXCCDBX-JOCHJYFZSA-N 489.035 4.397 10 10 JICE CCC[C@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868665819 CBQYEQFDLPUGJJ-RJOAZTIESA-N 479.621 4.131 10 10 JICE CCCC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869064090 GOTDCILTDQDUFC-DEOSSOPVSA-N 489.620 4.031 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)c(O)c1 2080048788 XQDWGWJWGJSAKB-INIZCTEOSA-N 453.324 4.225 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2296704211 XZXSDANOLUIRCQ-UHFFFAOYSA-N 454.577 4.209 10 10 JICE Cn1cc(C=Cc2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc21 2296740591 CUOBXPQQHXHBKA-UHFFFAOYSA-N 485.325 4.046 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1OC 2296881698 WIZVDGWFBUAOCK-UHFFFAOYSA-N 468.600 4.275 10 10 JICE Cc1ccccc1N1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S 2296947710 XIFQFLZCEOOSAS-UHFFFAOYSA-N 494.576 4.420 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 2297560592 QPOXUVDTMUHFSP-UHFFFAOYSA-N 462.502 4.245 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 2314563130 FCWUYFOGDWPEOD-UHFFFAOYSA-N 459.549 4.284 10 10 JICE CN(C)[C@@H](CNC(=O)CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)c1ccco1 2314625240 RACLQKRDKHSREP-KRWDZBQOSA-N 478.039 4.334 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)cc1OC 2314930712 ICXPEQNVUKIIGJ-UHFFFAOYSA-N 473.572 4.001 10 10 JICE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N12 20154705 ZZGZKKLCWDAUOZ-JJEZRMFNSA-N 452.561 4.392 10 10 JICE Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCc2ccc(N(C)C)cc2)cc1 35559361 QPVFJVRTBMASPY-SANMLTNESA-N 477.630 4.056 10 10 JICE O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 96624563 OOJXSQJDCRSVRC-AUWJEWJLSA-N 484.296 4.311 10 10 JICE CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 731400391 BSDKMQICZAGGCH-JOCHJYFZSA-N 459.612 4.149 10 10 JICE O=C(CCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1)c1ccccc1 1860599335 NTFBURSCZBDIPA-UHFFFAOYSA-N 494.547 4.302 10 10 JICE CC(C)(NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866617285 FSVPPIUMAUMFKB-UHFFFAOYSA-N 477.520 4.400 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccc3)n4CC(C)C)CC2)cc1 1873576696 KNXKIYCRDJXUEJ-UHFFFAOYSA-N 498.631 4.353 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892128502 HWNVEZVWDJEBJU-PMWMKWCKSA-N 495.689 4.442 10 10 JICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl 2294229270 DLUIMONDXBCDPF-UHFFFAOYSA-N 465.756 4.251 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O[C@@H](C)CC 2313556802 LHXWMCGNJYPVCU-ZDUSSCGKSA-N 486.908 4.311 10 10 JICE Cc1ccc(CNC2C[C@H]3CSC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1Br 2380806289 CLBHBQGUUDSJDC-MQVJKMGUSA-N 457.434 4.436 10 10 JICE CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 14542826 WGKBZUYHBBITDJ-UHFFFAOYSA-N 476.621 4.114 10 10 JICE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 40844435 JRUUYKJASDBLQF-KEBDBYFISA-N 470.572 4.159 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 47133653 PUKRDGLKRLWZGE-WQRHYEAKSA-N 480.571 4.202 10 10 JICE CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 59250488 YQBPGDJMUSEQOU-RGEXLXHISA-N 464.319 4.469 10 10 JICE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1C 62694741 DQUKOZDFUXORQU-UHFFFAOYSA-N 483.609 4.039 10 10 JICE COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 103040843 HLEALHVANBIWGQ-NWGMWSOJSA-N 465.600 4.125 10 10 JICE COc1ccc2[nH]cc(CNCCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2c1 1860715676 SCBXABYCWILIDJ-UHFFFAOYSA-N 453.498 4.070 10 10 JICE CC[C@@](C)(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862120027 CMWTWEACFSUXOX-SSEXGKCCSA-N 485.628 4.461 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018064 BSWFVVGQUBDPAS-SPLOXXLWSA-N 496.995 4.168 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864021268 OKOJLTDCMMQCCS-UTKZUKDTSA-N 470.614 4.436 10 10 JICE CCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164505 LIHYTBOAXNNLGS-NRFANRHFSA-N 494.507 4.049 10 10 JICE CCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385624 IFRLJXAAQOTQQV-SVBPBHIXSA-N 494.680 4.393 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914183 BPMZKIVGRGWZQF-CLJLJLNGSA-N 494.680 4.393 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3cc(Br)cc(Br)c3)CC2)cc1 1891703941 FUGCAFIBHLENTA-UHFFFAOYSA-N 468.189 4.112 10 10 JICE CN1CCc2cc([C@H](O)[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2058200288 VIUYVGUEXADLGC-LSYYVWMOSA-N 472.541 4.094 10 10 JICE CCc1nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079988302 YMYTUZDMLHTRHB-MRXNPFEDSA-N 472.323 4.186 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2080030457 MZTXMMRAXVGRPR-IBGZPJMESA-N 467.351 4.318 10 10 JICE CC(C)(C)OC(=O)NCCc1csc(=NCc2cc(Cl)cc(Br)c2O)[nH]1 2137281253 QYNBETMQFMOUHF-UHFFFAOYSA-N 462.797 4.366 10 10 JICE COC(=O)c1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)cc1 2293189954 YWENCFPSKCRGNY-UHFFFAOYSA-N 480.361 4.356 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2OC)cc1 2294034618 LRTNYWMAFQEKAF-UHFFFAOYSA-N 478.545 4.041 10 10 JICE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc3oc(=O)ccc3c2)C1=O 2296885390 RYQDUJPNAJFAMY-UHFFFAOYSA-N 466.540 4.032 10 10 JICE CCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2314509473 UNQYSKZCTNYJMG-UHFFFAOYSA-N 453.545 4.107 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468522 MVHRELOAXGMVLE-DFIYOIEZSA-N 468.575 4.232 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21 20683643 UNLIYHKCCUVFOA-PMAPCBKXSA-N 452.551 4.305 10 10 JICE CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S 33475451 XKFHZNXYXAXJLP-FMQUCBEESA-N 456.564 4.371 10 10 JICE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 33693509 FHXOQEWVDWUSCW-XLNRJJMWSA-N 465.579 4.234 10 10 JICE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 33851678 ISPFVYCSIVPMQX-ODLFYWEKSA-N 485.543 4.008 10 10 JICE O=C(O)c1cc(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)ccc1O 38605398 UWSIUEVIDSQPJK-QURGRASLSA-N 458.408 4.404 10 10 JICE CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 54421843 RQEASRVVDNPION-LADGPHEKSA-N 476.614 4.045 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 213163491 LZNXBRAYJRYCGY-VJOZSWGJSA-N 493.610 4.484 10 10 JICE CC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860344365 VKRXADRWDIVABR-UHFFFAOYSA-N 462.509 4.416 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1869135606 LYFPIUAVLOAZDN-NRFANRHFSA-N 492.693 4.319 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873170157 PODVHWIQYYKDEP-UHFFFAOYSA-N 492.664 4.065 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873554715 VHCFQTGVCOHKEI-OAQYLSRUSA-N 490.652 4.439 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[C@H]21 1873895387 CGPQCXKAHSPOOM-MHZLTWQESA-N 480.524 4.156 10 10 JICE CC(C)(C)OC(=O)N1CCCN[C@@H](c2cc(Br)cc(Br)c2O)C1 1952075548 RYXXKQXFAFSAJE-CYBMUJFWSA-N 450.171 4.189 10 10 JICE COc1cccc(OCCOc2ccc(Cl)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293379615 TYCZMLJTZAMVBD-UHFFFAOYSA-N 464.905 4.268 10 10 JICE CCOC(=O)c1sc(N2N=C(C)C(=Cc3ccc(OC)c(Br)c3)C2=O)nc1C 2297313176 RXFIXCFHOUBBAQ-UHFFFAOYSA-N 464.341 4.205 10 10 JICE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N12 4761596 AKXIJPXGUBEMQZ-AYYHGXMZSA-N 466.430 4.481 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15038055 RWQMRKKZXVHPCK-WJDWOHSUSA-N 491.388 4.377 10 10 JICE CCCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 54311004 WLGRJEFFKZVCRQ-HSZRJFAPSA-N 458.624 4.151 10 10 JICE CCOCCCNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586703268 FOQYLBMLBPVLLN-UHFFFAOYSA-N 471.513 4.262 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)nn(-c3ccccc3)c2C)C1=O 1083918234 MFWNJVMCCNIAIS-LDADJPATSA-N 494.349 4.139 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2ccncc2)cc1 1858901557 SAKVYFCHYGUWQN-UHFFFAOYSA-N 477.476 4.398 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864014637 ZJRWSPAWPJOPQZ-KUDFPVQQSA-N 468.598 4.046 10 10 JICE CC(C)COc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867724643 DLOQNHIGWHRPPT-AJTFRIOCSA-N 494.680 4.249 10 10 JICE O=C(NC1(C(=O)O)CC(c2cc(O)c(O)c(O)c2)C1)OCC1c2ccccc2-c2ccccc21 1952488131 HFXPFWXZTVNROA-UHFFFAOYSA-N 461.470 4.043 10 10 JICE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296091198 BYCLWRNBDMWOFA-UHFFFAOYSA-N 498.102 4.026 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N([C@H](C)CC)C3=O)c3ccccc32)cc1 2296711313 MBTGWVFEIUQNLS-OAHLLOKOSA-N 495.626 4.441 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297499594 OSCAATZSBVLESQ-UHFFFAOYSA-N 479.949 4.232 10 10 JICE CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 2297533482 BBELSFHVMNDSQG-UHFFFAOYSA-N 453.930 4.115 10 10 JICE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2313560895 KKAQERUYNIBAFY-UHFFFAOYSA-N 495.285 4.382 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O)C(=O)O 2314933043 RQUNKRIWSIINRC-OAHLLOKOSA-N 476.963 4.128 10 10 JICE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)ccc1O 2321683157 GRLTYWJVAIWKFF-UHFFFAOYSA-N 454.298 4.398 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1cccc(F)c1 2332141314 PBXYFFCEVLAZNN-UHFFFAOYSA-N 459.433 4.335 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641801 XCTZBKXSXSHYCO-AXHZCLLHSA-N 450.535 4.011 10 10 JICE Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccco4)C3=O)c2C)ccc1Br 16401659 INFARTUWHCZCEH-QHCPKHFHSA-N 484.350 4.408 10 10 JICE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1OCC 33411681 OVDAHYASIHRGHV-BOPFTXTBSA-N 472.881 4.187 10 10 JICE CCCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 33417533 GFKGPOWELJQAKG-UKTHLTGXSA-N 453.014 4.374 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 33474029 VAJQLKRGCBSQKX-SQFNAUOLSA-N 486.663 4.375 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1 54620977 LBRNCSQDYXPUAJ-QFIPXVFZSA-N 457.486 4.419 10 10 JICE NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 59181434 XUTNJBRGXSCGST-UDWIEESQSA-N 472.353 4.475 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)CC 108741035 IXKBPXVSGOZREM-RYTMOOJXSA-N 494.588 4.467 10 10 JICE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 213175682 WZULWUZQVNDFNU-UEIJICEPSA-N 479.583 4.175 10 10 JICE O=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860554637 NNBMSODJXROBPX-UHFFFAOYSA-N 479.467 4.430 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(CC)CC)sc(C)c1-c1ccc(Cl)cc1 1860758412 GERVYYYTJSZFPL-UHFFFAOYSA-N 480.030 4.340 10 10 JICE CCCC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862239606 DYBMMDSRUJEVPO-AREMUKBSSA-N 459.590 4.486 10 10 JICE COC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870872050 MTRAVYJCORSHDU-UHFFFAOYSA-N 459.502 4.397 10 10 JICE O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc2c1C(=O)c1ccccc1C2=O 1871333525 ZSOHGWOFTMISAM-UHFFFAOYSA-N 453.420 4.195 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2cc(O)c(O)c(O)c2)CC1 1952081947 VJWKAAPVSDZPMW-UHFFFAOYSA-N 475.497 4.171 10 10 JICE C[C@H](c1ccccc1O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2124169603 RDTRGDKMMIZDST-NIYFSFCBSA-N 453.583 4.081 10 10 JICE CN(CC[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)C(=O)OC(C)(C)C 2271984753 WKUFDKJVQLXTPJ-HXUWFJFHSA-N 462.635 4.048 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540791 UOFNITKUDZEPCR-HOTGVXAUSA-N 456.637 4.034 10 10 JICE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N=C2S1 2296807975 GLUBPQMXGIZHPB-UHFFFAOYSA-N 452.496 4.040 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 2296849724 GHKPZBKCVFPCOC-UHFFFAOYSA-N 481.599 4.341 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 2297469984 KXVCUFHOIXBKRH-UHFFFAOYSA-N 492.580 4.255 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297500193 QXQUMTGAYBFIGN-UHFFFAOYSA-N 469.993 4.088 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1nnc(-c2ccccc2)o1 2314913673 RXCMWKJZUNTFRY-UHFFFAOYSA-N 484.628 4.138 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OS(C)(=O)=O 3000831 YWSMFDLDIKNEJK-LICLKQGHSA-N 469.993 4.483 10 10 JICE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccccc4)s3)=NC2=O)cc1 54201822 OZJBJWFZHZPERG-WJDWOHSUSA-N 483.600 4.360 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 59859937 UMITYVRTYLIAKH-AQTBWJFISA-N 450.451 4.100 10 10 JICE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)ccc1Br 59860142 UEINHLGBRWSMKT-GDNBJRDFSA-N 473.283 4.238 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C(=N)N12 96450637 HHGHHTNBXWPYNF-BYCXBGHRSA-N 490.950 4.491 10 10 JICE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 102463997 BOQVOBZPFIDYRD-INYGCOGDSA-N 476.606 4.184 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 206726698 OOYUTHOSQPVQOY-LDADJPATSA-N 455.586 4.311 10 10 JICE CCCCNC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 915223207 CLIUPMIPFSVPFO-HSZRJFAPSA-N 461.566 4.362 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3cc(Cl)ccc3OC)sc2CCC(=O)O)cc1 1858035270 UCHZEWJFEQJZFW-UHFFFAOYSA-N 482.967 4.299 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 1858593893 CDMNFSACDWYTDB-QTCOBDOFSA-N 452.601 4.496 10 10 JICE CC(=O)c1sc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)nc1C 1860347487 RJWYSRFDPGKWQL-VWLOTQADSA-N 499.596 4.394 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864021584 QAWIMMQQMOMSNQ-JOCHJYFZSA-N 482.625 4.436 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)cccc21 1874179406 CETMDVSQLLFITE-ZDUSSCGKSA-N 462.864 4.246 10 10 JICE COc1ccc([C@H](n2nc(C3CCC3)c(N)c2I)C2(C)CC2)c(O)c1 2080036134 IJYPKGIBKQOHBI-KRWDZBQOSA-N 453.324 4.441 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124506918 CLVCUIZHQBUQEM-FQEVSTJZSA-N 456.591 4.095 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1O 2293772125 AYVLKHMAAHJRFX-UHFFFAOYSA-N 475.364 4.002 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296541948 SRSFAKRJXVODQU-CALCHBBNSA-N 470.664 4.342 10 10 JICE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314541212 HNBZUHRKFYDITM-GFCCVEGCSA-N 485.370 4.173 10 10 JICE Cc1cccc2cc(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650714 YEWAQASRYKJITN-UHFFFAOYSA-N 480.659 4.389 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314831444 LBVSXGFFICSNLB-UHFFFAOYSA-N 499.452 4.192 10 10 JICE CCC[C@H](C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccc1 10216834 OTQLDBZDYUATHF-SXZORUHJSA-N 468.600 4.317 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)s4)n3)cc21 11857774 NUFDQBJTZWPZFB-UHFFFAOYSA-N 455.970 4.071 10 10 JICE Cc1c(N2C(=O)/C(=C\c3cn[nH]c3-c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 33305916 AOMLLTZZFCSTBP-CPNJWEJPSA-N 473.583 4.280 10 10 JICE COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2OC)c1 103704159 DOTFJUWQFHPSJG-GNMKNICSSA-N 465.531 4.329 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)c1 205970383 HWBLTSGDRRRIDK-JJIBRWJFSA-N 499.523 4.405 10 10 JICE CCCCSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261365069 PTDIBXHOFMVSMF-QHCPKHFHSA-O 450.588 4.008 10 10 JICE O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCN(C(=O)c3ccco3)CC2)c1O 828147281 IUTFCDQIUGZDSC-UHFFFAOYSA-N 469.541 4.026 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)C1 1749801122 BTSAAILDEOSOKQ-HXUWFJFHSA-N 484.695 4.121 10 10 JICE CCCC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862184841 CKCIVGNLJLTXDV-DEOSSOPVSA-N 488.028 4.060 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010873 PWNIHFORWGCKJO-HXUWFJFHSA-N 482.968 4.109 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864014619 ZFZHUPQVTQPZTI-QHCPKHFHSA-N 490.604 4.285 10 10 JICE CC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868885787 NHXMSKCSHPSKTP-SXOMAYOGSA-N 493.648 4.221 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873164039 JGDBUIXBYFKELO-DEOSSOPVSA-N 455.558 4.143 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCCN4CCCC4)c4ccccc34)[C@H]21 1873904948 GWPBQMJZNJUTJY-LJAQVGFWSA-N 499.659 4.171 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079116212 MQGQMRUOJQBSTM-KRWDZBQOSA-N 454.308 4.376 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2080047617 HGQZIRPPJMZFCI-CYBMUJFWSA-N 472.323 4.285 10 10 JICE Cc1ccc(C)c(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)NC2=S)c1 2293771862 GQOKEXORZJKNCC-UHFFFAOYSA-N 460.511 4.401 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1 2294259162 NRNJDUCMNOYFPM-UHFFFAOYSA-N 482.901 4.138 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCC3)nc12 2296724090 JOPPCPZVSPMJAT-UHFFFAOYSA-N 480.590 4.144 10 10 JICE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2297364253 SGDVVMYEUSECGP-UHFFFAOYSA-N 466.588 4.434 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(=O)c1ccco1 2297364544 XNOBMFWVSOJRHR-UHFFFAOYSA-N 497.301 4.121 10 10 JICE CC1CCC(Nc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2314413746 GJYGPJUZJRZYOZ-OFLPRAFFSA-N 484.647 4.065 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 2314828401 SYSHYQZKAVEHJY-UHFFFAOYSA-N 467.450 4.454 10 10 JICE Cc1ccc(CN[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381138046 LOURFPKYRGJGCB-KRWDZBQOSA-N 453.299 4.495 10 10 JICE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470763 XUTQEYGCSFHVTE-PNLZDCPESA-N 475.954 4.096 10 10 JICE O=C1/C(=C\NCc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1nc2ccccc2s1 17862665 ACEMJMQSPQUFLM-JXAWBTAJSA-N 454.511 4.450 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33458394 OMFLJBSTRMAYOV-UYRXBGFRSA-N 468.648 4.383 10 10 JICE CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38620036 ZWLSFSBDBAYDEY-DEOSSOPVSA-N 464.566 4.372 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C1=O 59678526 HYBFSRWDBNVKFR-ODLFYWEKSA-N 477.904 4.421 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N21 96460602 FKFOVFOEMBLFSH-HTYYESGYSA-N 490.010 4.067 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 210498011 KCTLBECEEDFFBL-CXUHLZMHSA-N 495.485 4.132 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 585680173 HPKWTVYETMGINS-LDBBZSNDSA-N 458.970 4.125 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Br)c4cc(C)oc34)c2)CC1 1459054204 UKVNWFVHHCJGPM-UHFFFAOYSA-N 456.340 4.425 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N(C3CCN(C(=O)OCC)CC3)C2=O)cc1OC 1858591498 QCABUJAISUZTPA-XMHGGMMESA-N 464.609 4.306 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860760904 HRWFUZROADFQFR-UHFFFAOYSA-N 466.559 4.130 10 10 JICE CC(C)c1ccc(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826796 NEKHMFQLDKDUIT-DQRAZIAOSA-N 494.594 4.086 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865033963 LUTDTIQKMTYEMY-MRXNPFEDSA-N 482.503 4.066 10 10 JICE CCN(CC)CCNC(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870977288 ZEHJBRJQSKLTKT-UHFFFAOYSA-N 491.636 4.061 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079877126 SZFGZHXEOXQZBU-CYBMUJFWSA-N 478.233 4.227 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)NCC2(CN=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2124507368 IPRHGJJNSYTOMH-UHFFFAOYSA-N 456.591 4.143 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@H](C(F)(F)F)C1 2163258137 WJDDMDFLVKPDSE-GXTWGEPZSA-N 453.299 4.290 10 10 JICE O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2297350884 BBNMEXRIDDMCSL-UHFFFAOYSA-N 476.872 4.314 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNNc1c(Cl)cc(Cl)cc1Cl 2297534450 IDCCXMCGCUYXAQ-UHFFFAOYSA-N 460.104 4.384 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(=O)O 2314929498 NMKNJELNTNEAPU-GOSISDBHSA-N 487.599 4.390 10 10 JICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl 2372364 HDTZYPVJYFTREJ-LFIBNONCSA-N 467.821 4.183 10 10 JICE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21 14545751 RQTHEVPAIGPIBW-YMGHSFPGSA-N 454.592 4.369 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 15047064 CYKDCMAWSDSXJW-RMENWYJGSA-N 470.572 4.100 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)C5CCCC5)ccc4n3)CC2)cc1 33260897 VSMHSBQMGHBGEU-UHFFFAOYSA-N 474.561 4.397 10 10 JICE COc1ccc(N2CCN(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)CC2)cc1 33424732 SGWVKXVVUMJCLC-XHPQRKPJSA-N 453.542 4.354 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 47152237 VQLSTGKJHNWRNA-AQTBWJFISA-N 457.533 4.224 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2)cc1 96459382 OIOXDJKYIXMXCI-ZKEXVTLTSA-N 468.560 4.093 10 10 JICE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 97474688 OLJGKYITBHOVSZ-HMMYKYKNSA-N 494.642 4.323 10 10 JICE COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 210894655 COYCUGCUJYQZRU-RGVLZGJSSA-N 450.541 4.355 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 213146747 FCLCTKJHPVTPBG-CYVLTUHYSA-N 481.599 4.423 10 10 JICE O=C(CCn1c(O)nc(=O)c2ccccc21)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 253615954 WOWZIVKCHLMPKG-AREMUKBSSA-N 465.509 4.257 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526634142 ZPRWLRBNMMIVQT-FQEVSTJZSA-N 455.488 4.242 10 10 JICE CCS(=O)(=O)N1CCC(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)(c2ccccc2)CC1 746425519 VMIVEZFWTBNZQC-UHFFFAOYSA-N 493.673 4.136 10 10 JICE CC(C)(C)OC(=O)N1CCn2nc(NCc3cc(Cl)cc(Br)c3O)cc2C1 1560602901 NADWPKMMHNHSAO-UHFFFAOYSA-N 457.756 4.367 10 10 JICE CCCCOCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858587729 XTWULINOWQYKIF-CAPFRKAQSA-N 464.653 4.342 10 10 JICE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2ccccc2Br)cc1 1858683813 GIRQLCOBVZCBEV-UHFFFAOYSA-N 457.284 4.055 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)sc(C)c1-c1ccccc1 1860747454 KAFLIPYBIKFFSU-UHFFFAOYSA-N 468.531 4.495 10 10 JICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873165437 OIQXTKAJGLAQKD-UHFFFAOYSA-N 473.573 4.260 10 10 JICE COc1ccc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1Cl 1874016249 DFNDWTCUPIVGMS-CQSZACIVSA-N 474.900 4.116 10 10 JICE CCc1nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079125335 NSOXZLFRPWKCPM-MRXNPFEDSA-N 454.308 4.240 10 10 JICE CC(C)c1ccccc1OCCn1cccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296933433 LRHSHLBLYMGDSI-UHFFFAOYSA-N 461.493 4.496 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1 2297347450 PWWDFURKUYRSMC-UHFFFAOYSA-N 498.333 4.366 10 10 JICE CN(C)CCCNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20322483 DKQPSLLARRMJEQ-UHFFFAOYSA-N 482.588 4.124 10 10 JICE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(C)cc2O)cc1 20898614 YJODJWKLVXGHHU-XMMPIXPASA-N 494.551 4.232 10 10 JICE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 47152403 UYCAHPYTWKZODY-MQHRVFIMSA-N 463.924 4.182 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)c(Br)cc1O 96477359 CHLQKTUNFMQUPS-AUWJEWJLSA-N 461.337 4.452 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)c(C)c1 101747010 SRIYWHLREFTYLO-RCCKNPSSSA-N 454.596 4.361 10 10 JICE Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 1084028688 KRWRIFLGFJGHIK-YBEGLDIGSA-N 474.380 4.090 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(O[C@H](C)c4ccccc4)cc3)cc2)CC1 1638586875 DAEKHEDJQXULLL-OAQYLSRUSA-N 457.574 4.425 10 10 JICE CC(C)n1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21 1860334631 ONVWKLRGKORYGF-NRFANRHFSA-N 481.593 4.428 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861902544 OBWQIZAFCWDNMA-RUZDIDTESA-N 457.574 4.110 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011545 JKXNOKYZNBLWAY-QFIPXVFZSA-N 496.995 4.305 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865026922 SYIWHIDWCFQKRR-JOCHJYFZSA-N 494.979 4.012 10 10 JICE O=C(CNC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868158163 XXVVHRKOJJCGGB-HSZRJFAPSA-N 472.928 4.364 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccc(O)cc3)CC2)cc1 1870353946 MFDHYYGLGDNZNY-UHFFFAOYSA-N 491.632 4.358 10 10 JICE COc1ccc(CN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165769 URLDNRUBWJKGKO-UHFFFAOYSA-N 487.600 4.397 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cn(Cc4cccnc4)c(=O)c4ccccc34)cccc21 1874016935 ILXBBKPNANGBIL-UHFFFAOYSA-N 485.499 4.473 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(Cc4cccc(Cl)c4)C3)cccc21 1874180035 WMVNDFAVIMQMDC-INIZCTEOSA-N 458.901 4.103 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2079979248 MXPKXCGBSMPJOH-GFCCVEGCSA-N 454.308 4.474 10 10 JICE COc1cccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 2297364338 ULRNOSYKAJZFTB-UHFFFAOYSA-N 476.872 4.234 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1OC 2313548772 FMNDKKPBOZNHPM-UHFFFAOYSA-N 473.323 4.140 10 10 JICE CCOc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 2313682779 KMVSQFLBIXKHTG-UHFFFAOYSA-N 450.520 4.347 10 10 JICE CC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329554189 PXDBDFKKHOPOHX-HHHXNRCGSA-N 475.633 4.349 10 10 JICE CC[C@]1(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O 11791010 JHBVKJQCHBPGMK-KFFOYYGSSA-N 495.693 4.186 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20239021 BVYPXRWLZKPJGS-XJTXAXOCSA-N 465.369 4.045 10 10 JICE N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 32964301 MILQYXWMAVNAJH-YFGLPBLDSA-N 460.450 4.192 10 10 JICE COc1cccc(O)c1CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccsc1)[C@H]2OC 206129954 VYEZFKSKAKOHRF-JWQCQUIFSA-N 478.614 4.496 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 213181904 RRZXSGABTMPLJW-AQTBWJFISA-N 495.582 4.034 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCOCC1 226644286 CHUYJGCQJNFOKE-XQBPLPMBSA-N 475.408 4.297 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3Br)CC2)cc1 325868267 HXFPIAJNJHOPOJ-UHFFFAOYSA-N 454.162 4.183 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526264939 YZJZLZDLMWKPQP-DEOSSOPVSA-N 461.470 4.375 10 10 JICE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC 1860758327 DVBHCORMQZCOST-UHFFFAOYSA-N 464.559 4.301 10 10 JICE CC[C@@](C)(NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861905367 KOPBESVELDWMGI-MUUNZHRXSA-N 459.590 4.404 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865031360 FIJCFMJSPVTIIN-NRFANRHFSA-N 474.561 4.078 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032614 HBELZXZQCGBTOL-NRFANRHFSA-N 494.979 4.206 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)c2nccn2C)cc1 1866045213 GZPKZMWHBUBAJZ-XMMPIXPASA-N 453.546 4.258 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1867947651 YJZYRGNUMWVFIF-UHFFFAOYSA-N 475.637 4.001 10 10 JICE CCCCCCOC(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870417212 IYMRVYADOHWTSF-UHFFFAOYSA-N 499.652 4.091 10 10 JICE COCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170851 UBVSYKYXERSEFE-UHFFFAOYSA-N 457.574 4.043 10 10 JICE CC[C@H](N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2095856476 HKIXESGVVSIRQE-ICSRJNTNSA-N 463.372 4.233 10 10 JICE O=C(N[C@@H]1C(F)(F)C12CC(NCc1cc(Br)ccc1O)C2)OCc1ccccc1 2142146881 RNBCNMWKUOQNSC-IPCDKGFNSA-N 467.310 4.337 10 10 JICE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3sncc3Br)cc2)CC1 2286065512 JVFCQEUTRSRXCF-MRXNPFEDSA-N 453.406 4.011 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1F 2293358574 OLTBILABBKDFIL-UHFFFAOYSA-N 479.327 4.282 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2296846499 RVCHYINPONAXOP-KRWDZBQOSA-N 486.663 4.010 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 2297349638 LALCDJCLSWCKCF-UHFFFAOYSA-N 486.571 4.022 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)c4cccs4)c3)C2=O)cc1Cl 2297364304 WWKKYASSFFYYAI-UHFFFAOYSA-N 482.901 4.296 10 10 JICE CCCOC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2297465422 BESDDFPQGMHOAO-UHFFFAOYSA-N 457.573 4.429 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 2318683479 DMWCOHXXFLBSPQ-SFHVURJKSA-N 487.599 4.477 10 10 JICE Cc1ccc(CNC(=O)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C)c(O)c1Br 2380739174 HDZLVBFYKBREFL-CQSZACIVSA-N 461.422 4.114 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)CC2)cc1 8979736 IVFZYETZJRKPRH-HXUWFJFHSA-N 497.020 4.436 10 10 JICE CCc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)cc1 20731845 SPJNBUJQGGPTME-UHFFFAOYSA-N 450.627 4.388 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 33511183 CNQVNJHDKRLTGS-PDGQHHTCSA-N 450.589 4.226 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989563 YYDYTMZPJWBZFP-QJHUTNDBSA-N 458.653 4.049 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210749870 NVRHTJQPRCIOMY-HMMYKYKNSA-N 468.600 4.316 10 10 JICE C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728745646 HQFJDSAZCMXFQQ-FUPPJEDESA-N 460.638 4.237 10 10 JICE CCCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344995 LYZRGJFSDSXTAY-UHFFFAOYSA-N 470.558 4.017 10 10 JICE CC[C@](C)(NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259742 NSPUWKUUEMKTAH-QHCPKHFHSA-N 464.393 4.249 10 10 JICE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010718 VWPVAOFNGURYOF-GYCJOSAFSA-N 490.604 4.393 10 10 JICE COc1cccc([C@@H](C)CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867096797 HEXVJMOCCWDYEN-KRWDZBQOSA-N 484.552 4.498 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867403523 LHWWUZMEBSRFDK-QHCPKHFHSA-N 471.045 4.258 10 10 JICE CC[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869223 QEXZOWXFYKKBIM-IGKIAQTJSA-N 484.040 4.476 10 10 JICE CCCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548729 HHTGDMSDEGWPHW-NHCUHLMSSA-N 490.652 4.295 10 10 JICE CC(C=Cc1ccccc1)=C1SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 2040469394 QWXPYFKYGNJUTD-UHFFFAOYSA-N 466.628 4.245 10 10 JICE CN1CCc2cc(CNC3(CNC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2187390457 CAHMQCUACBCEKD-UHFFFAOYSA-N 464.654 4.328 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(F)c1 2294095445 RJAMQYJGLAMQSK-UHFFFAOYSA-N 464.424 4.219 10 10 JICE COCCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314506478 DJYXJPCDTUBPJH-UHFFFAOYSA-N 481.599 4.260 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2341827857 AYZOMPXRLRPYAK-PWRODBHTSA-N 462.635 4.168 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCC2)SC1=S 33469407 RPRWWWBVSIIXQP-XMHGGMMESA-N 458.653 4.430 10 10 JICE CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 54311026 YBRHBGWVYXOQRF-FYYLOGMGSA-N 476.614 4.045 10 10 JICE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1cc(Br)ccc1O)N2 65298094 KUPHKSSOJDCANN-OAQYLSRUSA-N 456.384 4.325 10 10 JICE biogenic CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-n4c(C)cc(C=O)c4C)c3)c2C)C1=O 1297786634 BIMFMMVLGQBJCD-UHFFFAOYSA-N 458.518 4.256 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3C)C2=O)cc1 1860084341 LTJVTVGTJATNSX-DEDYPNTBSA-N 456.589 4.354 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864013541 YARPDLGFFSBQEJ-QFIPXVFZSA-N 491.592 4.022 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865026390 MXKOHXQXHDHKAS-HSZRJFAPSA-N 494.567 4.133 10 10 JICE CCCCCOc1cn(CCCOCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676255 RJHXPIWWXHEXKD-UHFFFAOYSA-N 471.642 4.175 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873169000 UAYIUZJKUJBSJM-MHECFPHRSA-N 471.605 4.308 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873169001 UAYIUZJKUJBSJM-UUOWRZLLSA-N 471.605 4.308 10 10 JICE CCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169178 CWHDPCUHKGGDED-UHFFFAOYSA-N 450.627 4.296 10 10 JICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420212 JZRMCULZUBDPJS-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(N)=O 2079938655 ZQGDYLXQFXSXBF-MRXNPFEDSA-N 455.340 4.107 10 10 JICE CC(C)(C)OC(=O)NCC1(NCc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)CC1 2130850446 MXUAAFCGVKHVFF-UHFFFAOYSA-N 451.611 4.271 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@@H](C(F)(F)F)C1 2163255262 WBEJEOICIPHZKY-JSGCOSHPSA-N 453.299 4.290 10 10 JICE CCC1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C(=O)N=C2S1 2293816434 STTJFJGPVXEBKH-UHFFFAOYSA-N 458.883 4.190 10 10 JICE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C 2313682115 VLTONIUUVMWPIH-UHFFFAOYSA-N 466.519 4.209 10 10 JICE COc1ccc([C@@H](CN2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)N(C)C)cc1 2323880165 YJAAIJSCNIQVKD-LJQANCHMSA-N 452.605 4.155 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15046965 NKIINNAAOQXSDW-OKHBPPCESA-N 463.378 4.383 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 16891165 VHLNMSMXCYKFCV-DFBJGRDBSA-N 465.619 4.447 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33446152 KRYGNVGRRWXURZ-AQTBWJFISA-N 454.621 4.137 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 104372343 MFBLAPHZYNOWOL-GKDQMJQDSA-N 472.573 4.306 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)ccc21 1860590813 YVECAPYJWDQCNE-UHFFFAOYSA-N 453.498 4.345 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=S)NC)CC2)sc(C)c1-c1ccc(F)cc1 1860632812 GRPANFMCAVPCPX-UHFFFAOYSA-N 463.600 4.194 10 10 JICE CCCOC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827407 XAWPOXBTRAXJDA-CRRKTRLDSA-N 460.577 4.222 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862152945 XCVBRWDCZBJFPH-ZNGDTJSRSA-N 488.415 4.355 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868661861 VCFTYZABMKFZEI-DYCVSJHOSA-N 463.622 4.151 10 10 JICE CCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871261826 XXINEPBZPQXKPT-UHFFFAOYSA-N 492.620 4.272 10 10 JICE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 2297478003 MVVPLIMUDGBURG-MRXNPFEDSA-N 492.500 4.247 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313557511 FKCMHESQJGMQIU-UHFFFAOYSA-N 492.375 4.101 10 10 JICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147696 RWXVESMEOFAVTH-UHFFFAOYSA-N 462.477 4.387 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1OC(=O)c1cccs1 1113199 RVHLEPMIMLZTGK-CPNJWEJPSA-N 475.526 4.271 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 7003472 SFMKVZLKCKSHQV-UYRXBGFRSA-N 477.473 4.144 10 10 JICE Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)cc1 40940532 OYHIPSYVVOCTNU-DQRAZIAOSA-N 485.590 4.458 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)C 59399112 ASQXBGSLDJXTNW-YBEGLDIGSA-N 473.323 4.220 10 10 JICE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705702536 NIDREXJLSWSDCA-BWKNWUBXSA-N 453.631 4.183 10 10 JICE C[C@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868564130 MVLNEDPCURYJPI-KRWDZBQOSA-N 477.524 4.283 10 10 JICE CC[C@@](C)(NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868843181 COPJBOWDUIVDKJ-LBNVMWSVSA-N 465.638 4.377 10 10 JICE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869491 SFOQJNJVJHHGBK-RPWUZVMVSA-N 470.013 4.086 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccc(Cl)cc5)C4)nc(C)n3)CC2)cc1 1869300976 UDZDIOGPTSOSHN-DEOSSOPVSA-N 480.012 4.352 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3Cc3ccco3)CC2)cc1 1870691749 MZZWEMBURMNQQX-UHFFFAOYSA-N 499.611 4.442 10 10 JICE COc1ccc(CC(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874722288 SNWUGOYWDXOIGY-UHFFFAOYSA-N 487.600 4.280 10 10 JICE O=C1C(=Cc2ccc(O)c(O)c2)SC(=S)N1c1ccc(I)cc1 2297299266 JHMAKPUFILQMOT-UHFFFAOYSA-N 455.298 4.108 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccccc1 2297554526 COTNAUXEWOPKJO-UHFFFAOYSA-N 494.594 4.385 10 10 JICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313681353 CGLFLDWMWGRDSU-UHFFFAOYSA-N 482.493 4.287 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929271 KEKWAKAHEMZOLY-INIZCTEOSA-N 476.963 4.128 10 10 JICE CN(C)c1ccc([C@H](NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c2nccn2C)cc1 2324356892 NBSDHPOWRDLXLV-SANMLTNESA-N 479.584 4.163 10 10 JICE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356598 IKFDBHPIZQCJIE-CYPXAJCBSA-N 494.533 4.316 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(O)=NC2=S)cc1 35223697 YAEOMBOGHBOIKS-UNOMPAQXSA-N 476.470 4.462 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(Cc4cn(C)c5ccc(Cl)cc45)CC3)CC2)cc1 35562278 HGWZSTFXISYTIP-UHFFFAOYSA-N 481.040 4.401 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(F)c(Cl)c4)c3[N+](=O)[O-])CC2)cc1 40611253 IRDASQSLGZKCKK-UHFFFAOYSA-N 458.881 4.256 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3O)c2C)cc1 59109484 NKAVHWMDUFEVIR-HMAPJEAMSA-N 457.486 4.383 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270885 AISHOYZZJKUYKZ-FYJGNVAPSA-N 490.610 4.214 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864007429 MLSKURGWGOQWIO-QFIPXVFZSA-N 494.979 4.389 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011209 RRWRESMAZNOLHR-HXUWFJFHSA-N 482.968 4.109 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3cc(C(C)(C)C)ccc3c2=O)c2nccn2C)cc1 1866435877 AVXDBFAYUQMJMD-QHCPKHFHSA-N 457.578 4.145 10 10 JICE CC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867811991 SHUTZXWLQLEJAS-YADHBBJMSA-N 490.570 4.022 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCC(C)(C)c3ccc(C)cc3)CC2)cc1 1868729769 RNTIPZMVBSLPNK-UHFFFAOYSA-N 465.638 4.305 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cc(C)cc(C)c3)n4C)CC2)cc1 1873650821 XPOVITUPPCNCIY-UHFFFAOYSA-N 470.577 4.173 10 10 JICE COc1ccc(OCCOc2ccc(C)c(C)c2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293473695 JXUUKQHKZFQOHY-UHFFFAOYSA-N 458.514 4.231 10 10 JICE CCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)s1 2296882351 QDBNEWJHSMVXLS-UHFFFAOYSA-N 453.014 4.374 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641934 VBZMUSLGHQWUMJ-KSYXXAMZSA-N 464.562 4.448 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15049027 WMKMMMAVLUUEBM-MFVBVHDHSA-N 461.406 4.355 10 10 JICE O=C(Nc1nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2s1)c1ccccc1 15863381 MCMZIEMLRJYQJL-UHFFFAOYSA-N 467.557 4.354 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)SC1=S 40888812 JJVYQOXVTDLGBJ-UVTDQMKNSA-N 474.398 4.098 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019969 SLAZUFYIXHPIGN-ZUOKHONESA-N 482.968 4.109 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865027008 CWJPIFTZMDOPBF-HSZRJFAPSA-N 476.577 4.244 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029257 JGZUGJHBXPLDLD-QHCPKHFHSA-N 488.588 4.333 10 10 JICE CC[C@](C)(NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867842782 KRGVLZMGQUKYFT-SQHAQQRYSA-N 468.617 4.134 10 10 JICE Cn1c(SCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nnc1-c1ccccc1 1868175530 VDFLNULSHJXWTN-UHFFFAOYSA-N 468.538 4.378 10 10 JICE CC[C@@H](N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2095856475 HKIXESGVVSIRQE-AZUAARDMSA-N 463.372 4.233 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 2293476881 HZHPORFTCPQSNR-UHFFFAOYSA-N 487.468 4.027 10 10 JICE CCOc1cc(C=C2C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)ccc1O 2294082133 GPPCSOUHOUZFKD-UHFFFAOYSA-N 458.308 4.431 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 2294133908 MDDCBZQBAJMFRI-UHFFFAOYSA-N 471.469 4.457 10 10 JICE CCN(CC)c1ccc(CN(C(=O)C=Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 2314508628 VWQMHTSSQDLVON-JOCHJYFZSA-N 461.027 4.415 10 10 JICE COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 1112660 NAWHCEYSDANTRW-APSNUPSMSA-N 467.316 4.205 10 10 JICE NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)CC1 3635793 SBCGJTXEVVVOTC-HAHDFKILSA-N 497.580 4.453 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 15047148 WNMSROCXWAFYOF-FDIDITGRSA-N 458.536 4.231 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 214754687 KUKDIFPHQLSLGX-QGOAFFKASA-N 485.543 4.002 10 10 JICE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726632445 WFQZJBCMSBASQG-JOCHJYFZSA-N 492.542 4.036 10 10 JICE CCc1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1084605764 CVUUFJXXHRRKOZ-UHFFFAOYSA-N 454.346 4.153 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1 1858124001 WOGGIPDWEVMYMP-OAQYLSRUSA-N 485.382 4.020 10 10 JICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015018 IBGYHVSYWJZECW-HRAATJIYSA-N 476.577 4.227 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865030403 JDLSZTINWRXXSM-QHCPKHFHSA-N 490.604 4.399 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5n4C)n(C(C)(C)C)n3)CC2)cc1 1869970054 DGIFBHXGZGMLGK-UHFFFAOYSA-N 487.608 4.112 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873167681 SCSDBBOTQULCBX-UHFFFAOYSA-N 485.632 4.091 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(C)cc(C)c3)cc1C2=O 1873870824 CFONDXSHVDGMTC-UHFFFAOYSA-N 471.465 4.182 10 10 JICE Cc1ccc([C@H](n2nc(C3CCC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079005423 KTXNXOZZKVOQBG-KRWDZBQOSA-N 465.335 4.258 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079049321 HOMNHTPBXBOOQP-CYBMUJFWSA-N 450.223 4.383 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079959453 VKHPRQLBDGFVOT-QGZVFWFLSA-N 470.307 4.077 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)CC4(CC4)C3)ccc(N)c2C1 2180023844 BLJXCNIZXWHNRZ-UHFFFAOYSA-N 472.630 4.399 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC 2294216848 HPPREJPOTPWSHK-UHFFFAOYSA-N 489.391 4.421 10 10 JICE CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 2297311168 HHAJCZXADJCZIE-UHFFFAOYSA-N 476.286 4.399 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 2297341033 HVGCOTLJYVYVCE-UHFFFAOYSA-N 496.570 4.253 10 10 JICE CC(=O)Nc1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)c([N+](=O)[O-])c1 2297451647 SDKQVFBSCFHRGD-UHFFFAOYSA-N 458.272 4.034 10 10 JICE CC(NCCSCc1[nH]cnc1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682439 CKEJCWDFGCFMSA-UHFFFAOYSA-N 476.562 4.174 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047008 MPPJLKZGPACGQQ-MQHRVFIMSA-N 479.377 4.089 10 10 JICE O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 95927126 ZNMHHBBTHZRGHE-GRSHGNNSSA-N 455.992 4.381 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3C)n2CCCSc2nccs2)C1 1741019028 WJVXUGMOLHVZCQ-LJQANCHMSA-N 470.668 4.197 10 10 JICE CCCOC(=O)c1cccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c1 1860715528 ZNUPJPDWQJIKNC-UHFFFAOYSA-N 469.763 4.493 10 10 JICE CSCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867059861 XTSPEGUNBHZLOU-AKFKNWHVSA-N 498.604 4.442 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164057 KCICJLSOSZZLIL-UHFFFAOYSA-N 461.562 4.372 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426141 PHKKNCUHCGZOIL-UHFFFAOYSA-N 496.527 4.160 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)C[C@@]12CCOC2 2155201820 MBXOKKGVIXBZQE-AUUYWEPGSA-N 461.784 4.066 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)cc1 2293653458 LEIUYRUUBUOXQA-UHFFFAOYSA-N 494.573 4.437 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2294745997 GXVKJHLFJYIASB-UHFFFAOYSA-N 486.347 4.163 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296713485 DVXNOHDNNSIFOT-CYBMUJFWSA-N 481.437 4.346 10 10 JICE Cc1cccc(N2CCN(CN3C(=O)C(=Cc4ccc(N(C)C)cc4)SC3=S)CC2)c1 2297334855 TZKPQUWZOHOWGR-UHFFFAOYSA-N 452.649 4.042 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cc(Br)cc(Cl)c3O)C(=O)NC2=S)cc1 2297560562 OOTOZDHTRZGYDX-UHFFFAOYSA-N 481.755 4.038 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1)C(=O)O 2314930179 YTFKDQPEXNYQRC-LJQANCHMSA-N 457.573 4.381 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 2326945214 NXKSVTDOTBELLW-UHFFFAOYSA-N 497.573 4.485 10 10 JICE CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 8781389 JPPBUBSHSKSXCP-XDHOZWIPSA-N 475.448 4.419 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)c(C)c4)n3)cc21 11857632 DOPVVZBOCRRQAG-UHFFFAOYSA-N 473.576 4.063 10 10 JICE CN(C)c1ccc([C@H]2NC[C@@H](CSc3nc(-c4ccccc4Br)n[nH]3)O2)cc1 21743313 GLPKFZHTDVGKQH-KXBFYZLASA-N 460.401 4.080 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(OC(F)(F)F)cc4)c3N)CC2)cc1 40727913 YTKIENZTACMUDQ-UHFFFAOYSA-N 460.460 4.036 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Br)c1O 96602786 NDJFAUDLBXZCCK-LFYBBSHMSA-N 465.687 4.321 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084046348 IABMDPJYUILQDK-ZDLGFXPLSA-N 481.867 4.251 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC 1084586186 CLQCQYRTOBMTRB-LCYFTJDESA-N 493.354 4.217 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)N1CCCCCC1 1705574900 RIWNEFBKBBSHLL-UHFFFAOYSA-N 482.632 4.218 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862254976 NFAWSDDHRWAETN-MHZLTWQESA-N 485.584 4.441 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012008 OYLJLHCUSJNIFA-JOCHJYFZSA-N 496.995 4.161 10 10 JICE CCCCCCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870674165 HSPZUFGVHQHQLB-SANMLTNESA-N 483.653 4.317 10 10 JICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871494737 KXZBQAYCOMQHAT-UHFFFAOYSA-N 475.641 4.130 10 10 JICE CCOCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422561 CWIOMBQAWQKEIO-UHFFFAOYSA-N 487.556 4.441 10 10 JICE O=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016613 HIPRPLPUMBSWLZ-UHFFFAOYSA-N 485.496 4.299 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2080055842 LEULOOSHWKBWNM-QGZVFWFLSA-N 470.351 4.381 10 10 JICE COc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296038240 WCXHEDVSKPGSIQ-UHFFFAOYSA-N 499.523 4.374 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15047396 DTWSCIFGFPGUSB-DABDWFRDSA-N 472.588 4.418 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c(OC)c1 59595385 LGCMRIOYBBGFHR-MOSHPQCFSA-N 475.570 4.251 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 250756694 LTPKMFRRZGBUPH-FHAGJXEFSA-N 450.535 4.213 10 10 JICE CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255360 WHSZQRNOBBBESU-SANMLTNESA-N 473.573 4.345 10 10 JICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013190 RXUAPRINJPRVOT-IVZQSRNASA-N 494.567 4.044 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026134 GKOTXQBZOFVFRB-HSZRJFAPSA-N 474.561 4.078 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865032319 AFXRMJSGRHWJDU-HXOBKFHXSA-N 488.588 4.250 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN([C@H](C)c5cccs5)CC4)nc(C)n3)CC2)cc1 1869300981 UEVLOTMXRALHSB-HXUWFJFHSA-N 478.666 4.065 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2nc3ccccc3[nH]2)C1=O 1873170335 WCHBWAMJVUYDLH-UHFFFAOYSA-N 467.573 4.293 10 10 JICE O=C1C(=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297303211 UPSARBUGXDHMJX-UHFFFAOYSA-N 482.293 4.377 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 2313578070 QHWRDTSFPSWNKZ-UHFFFAOYSA-N 466.509 4.172 10 10 JICE CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(C)C2=O)sc(C)c1C 2314487228 FVNQTHKLMJNXND-UHFFFAOYSA-N 474.629 4.467 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314831767 RODNSXRQDUJMAW-UHFFFAOYSA-N 458.561 4.030 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 6645229 GCGVQFFVKSWBAD-BKUYFWCQSA-N 492.528 4.253 10 10 JICE O=C(O)COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 16909563 LIUUALJBARRQLX-OQLLNIDSSA-N 450.335 4.318 10 10 JICE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 33291187 VGMYNOFONMVLPP-FRKPEAEDSA-N 472.291 4.064 10 10 JICE CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c(O)c1 1083994998 DDZFFXRLLCLLPB-GZTJUZNOSA-N 486.366 4.284 10 10 JICE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)[C@H](C)CC#N)CC1 1705967980 OQBIUNDNGBSCQI-LJQANCHMSA-N 473.625 4.350 10 10 JICE COc1ccc(NC(=O)c2ccc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1858113103 JQZWJTGAGSZUKY-UHFFFAOYSA-N 473.573 4.238 10 10 JICE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Br)cn1 1860715123 NNAKPCGKPURBFJ-UHFFFAOYSA-N 463.557 4.084 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862120882 UQYXJVNIGOFDDT-MHZLTWQESA-N 483.612 4.167 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010934 QNTJIRAUDOZGDQ-DEOSSOPVSA-N 484.556 4.212 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011208 RRWRESMAZNOLHR-FQEVSTJZSA-N 482.968 4.109 10 10 JICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012476 AJFZNTDBQRSMMV-IVZQSRNASA-N 494.567 4.044 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cc(Br)c(O)c(OC)c2)cc1 1865666290 IJKNZASANICOQO-GZTJUZNOSA-N 480.318 4.401 10 10 JICE CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867671596 WNGSAWBKDJFKSG-AOYPEHQESA-N 475.637 4.086 10 10 JICE CSc1ncc(CNC(=O)c2ccc(I)c(Br)c2)s1 2269277751 LHXHTQWMSOCKJA-UHFFFAOYSA-N 469.167 4.162 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c(OC)c1 2296052891 QBKDDDJWTQOXSP-UHFFFAOYSA-N 479.377 4.013 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccccc1[N+](=O)[O-] 2296880132 SPVYANXSWHTVQK-UHFFFAOYSA-N 496.482 4.309 10 10 JICE CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313558739 IOSPHZKZNXEUPF-UHFFFAOYSA-N 463.534 4.463 10 10 JICE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(C)C2=O)CC1 2314647553 BLVOWCIWECGFPM-UHFFFAOYSA-N 455.605 4.154 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)CC(C)C)ccc4n3)CC2)cc1 33260702 AQXNLENCHBFKQS-UHFFFAOYSA-N 462.550 4.253 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 40888741 XAIBTUXGLXRPSZ-PGMHBOJBSA-N 471.600 4.471 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1O 40940686 RSTCJYJZIJBWPT-YBEGLDIGSA-N 493.404 4.408 10 10 JICE CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 54421839 RQEASRVVDNPION-UPVQGACJSA-N 476.614 4.045 10 10 JICE CCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)cc1)C(Cl)(Cl)Cl 102855939 USGFTCPTJQZNFM-QSOAKEGCSA-N 497.853 4.136 10 10 JICE O=C1CN(c2ccc(CNC(=O)c3ccccc3Oc3cccc(Br)c3)cc2)CCN1 108129575 XHUMYZWQAZBMSC-UHFFFAOYSA-N 480.362 4.108 10 10 JICE O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 254518814 DQIDTHPAZHJDIP-UHFFFAOYSA-N 482.544 4.283 10 10 JICE C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728745649 HQFJDSAZCMXFQQ-XPNTWCBSSA-N 460.638 4.237 10 10 JICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012857 KXEGXHSCDCRRMU-OAQYLSRUSA-N 496.995 4.168 10 10 JICE CCCCOCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871115136 NSDBMVKJTFRVBG-UHFFFAOYSA-N 478.593 4.275 10 10 JICE COc1ccc(OCCn2cc(C=C3C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 2293618359 XHSWOQDSIHNZMW-UHFFFAOYSA-N 453.498 4.190 10 10 JICE COc1ccc(C=C2SC(=S)NC2=O)cc1COc1ccc(I)cc1 2296910597 ZAKNYCGHOKVMOP-UHFFFAOYSA-N 483.352 4.368 10 10 JICE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3C(=O)O)cc2)SC1=S 2331592369 BXOIBQJCUNVYSO-UHFFFAOYSA-N 470.572 4.260 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OC)c([N+](=O)[O-])c1 6241518 SRJZWIUGMCDJHJ-CXUHLZMHSA-N 473.279 4.243 10 10 JICE O=C1c2ccccc2-c2onc3c(N4CCCC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23 9642279 CDOCKGXUCASBNT-UHFFFAOYSA-N 468.513 4.195 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1nccs1 15045174 GPKLMYHQHLNHPM-QINSGFPZSA-N 462.578 4.452 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)c1 526555944 LITUUTIJKPXTFE-QFIPXVFZSA-N 455.413 4.450 10 10 JICE COCCN(Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1614472152 LGXMUJAIHACVDI-UZLBHIALSA-N 468.516 4.230 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)sc(C)c1-c1ccc(C)cc1 1860748730 JFYZVUBQOKWVJL-UHFFFAOYSA-N 465.531 4.354 10 10 JICE Cc1ccccc1C(=O)N1CCN(Cc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)CC1 1860918640 MKYSXCVJZCZFIS-UHFFFAOYSA-N 456.590 4.271 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016666 VCKPYGXNSUNTRN-NRFANRHFSA-N 474.561 4.032 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C(C)(C)C)cc4)n(C)n3)CC2)cc1 1869969097 DRQZXVMSVXJUEJ-OVCLIPMQSA-N 474.609 4.100 10 10 JICE COCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870338399 FMXNXCCHEMNHQM-UHFFFAOYSA-N 498.023 4.058 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871483896 KESGVMZTOHOWGS-UHFFFAOYSA-N 475.641 4.095 10 10 JICE O=C(O)CCN1C(=O)C(=Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)SC1=S 2040469520 BAYIKGKTRILIHC-UHFFFAOYSA-N 476.963 4.033 10 10 JICE CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079126405 XGPNFHYWSLFFFT-KRWDZBQOSA-N 456.324 4.486 10 10 JICE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106883902 VWFZPEGANIESHJ-RUZDIDTESA-N 460.619 4.303 10 10 JICE C[C@H](C(=O)O)n1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2294229429 SPYSCTQBKXIWMU-LLVKDONJSA-N 488.352 4.425 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)c(Cl)c4)C3=O)o2)cc1 2296049208 HIHOAORTRMOKRF-UHFFFAOYSA-N 494.887 4.452 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)c1 2296538556 XRGNJCTWNHEDJX-UHFFFAOYSA-N 465.600 4.208 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccccc2Br)SC1=S 2323809206 KOVHPGGPUXSITJ-OAHLLOKOSA-N 464.362 4.052 10 10 JICE CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Br)cc1 586206145 HTYKILYEQULROV-UHFFFAOYSA-N 456.317 4.050 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)N(CCF)c1cccc2c1C(=O)c1ccccc1C2=O 586214492 GDCNCNHNWIVISX-UHFFFAOYSA-N 467.518 4.252 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1858590394 NTXAKFPTEINHPY-VGVSSDJJSA-N 464.362 4.052 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861948641 HMSLBPNUVJJGPF-MHZLTWQESA-N 492.019 4.488 10 10 JICE COC(=O)c1c(NC(=O)[C@@H](N)CCSC)sc(C)c1-c1ccc(Br)cc1 1865920663 OYRNZRVLIYLEKK-ZDUSSCGKSA-N 457.415 4.292 10 10 JICE CCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867340914 HORNHOWKNDVVKU-JWQCQUIFSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cccc(Cl)c4)cc3)CC2)cc1 1872721091 AIVKFEOKSDCSCY-UHFFFAOYSA-N 472.994 4.439 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873162398 TVKIVEHVVBNXIU-RUZDIDTESA-N 469.585 4.185 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873166724 FTKDBADVICVJKP-UHFFFAOYSA-N 465.557 4.045 10 10 JICE Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3C2=O)c(C)c1 1873744734 XCLDLZUNLDOGNU-UHFFFAOYSA-N 455.514 4.193 10 10 JICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl 2294229369 NLSMDMJJDVDBGB-UHFFFAOYSA-N 493.368 4.075 10 10 JICE O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 2297350526 KJJHBNFJRYTOKH-UHFFFAOYSA-N 493.859 4.199 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 2297352823 ZUTXFHKOAOSHKR-UHFFFAOYSA-N 450.543 4.296 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)ccc1Br 2313548506 WSASNMNXLOTYGY-UHFFFAOYSA-N 464.113 4.186 10 10 JICE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=O 2313560409 SDKNLPGWMKBSOT-UHFFFAOYSA-N 450.834 4.307 10 10 JICE O=C(O)COc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2314929839 SLIPHQXTFPCNSD-UHFFFAOYSA-N 450.335 4.318 10 10 JICE CC(=O)c1ccc(NC(=O)C(C)=CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 2320760327 HTGMNEHFCZDKOP-UHFFFAOYSA-N 452.466 4.188 10 10 JICE CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 8616618 RSDMWJBIOYMHPF-SANMLTNESA-N 465.619 4.234 10 10 JICE aggregator Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NC[C@H]3CCCO3)nc12 33371223 MVAUEOTUEDXOHI-HNMKQIAWSA-N 484.647 4.128 10 10 JICE O=C(O)CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccco3)cc2)SC1=S 39868017 GQRZNGFIQPSPHT-NJESZQPCSA-N 457.529 4.355 10 10 JICE CCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 40940124 QONAYZQRNXOKCS-MSUUIHNZSA-N 457.964 4.013 10 10 JICE O=C1[C@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 104906255 REFKVHSIRLCZNS-PCWGFLAMSA-N 483.907 4.376 10 10 JICE Cc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(C)n1-c1ccccc1F 109054309 VAHRPDYYLAFIDF-UHFFFAOYSA-N 450.510 4.440 10 10 JICE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1705711121 BEBBKOMYCJTFKA-AREMUKBSSA-N 453.631 4.152 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864014636 ZJRWSPAWPJOPQZ-CEQIKUNHSA-N 468.598 4.046 10 10 JICE C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571083 ISDZCLXEKVQGFM-MRXNPFEDSA-N 465.509 4.019 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873168968 SDNJNMJCEDWGCJ-UHFFFAOYSA-N 485.613 4.034 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080023691 DDCRBAKHYDBAOZ-SFHVURJKSA-N 452.292 4.281 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N([C@H](C)C(=O)OCC)C3=O)c2C)cc1 2294010694 DXGNJLWBARGBEA-MRXNPFEDSA-N 470.547 4.259 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1O 2294118622 GJEDICZMXKTCFG-UHFFFAOYSA-N 479.714 4.182 10 10 JICE CCc1ccc(-n2c(C)cc(C=C3NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 2297313818 IEVWBDSRTHIORG-UHFFFAOYSA-N 456.546 4.496 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 2297346265 QKUNKEAOAOFVHA-UHFFFAOYSA-N 480.980 4.096 10 10 JICE Cc1cc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1Cl 2297352797 XNOARFDOSSWZKM-UHFFFAOYSA-N 482.997 4.201 10 10 JICE COc1ccccc1OCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682635 HTMQSCYKMOBHDT-UHFFFAOYSA-N 472.501 4.297 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314413892 KTXBBWXLGARFMD-UHFFFAOYSA-N 468.579 4.365 10 10 JICE O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 1179987 JCBRXUWPNCNXJR-JCMHNJIXSA-N 460.515 4.246 10 10 JICE N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356650 XCWRLLJKQQDDEN-HDUWINQVSA-N 476.345 4.162 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 35363099 IBWQLKLLBZIRNH-QGOAFFKASA-N 474.652 4.231 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCCc1ccccc1 206828352 CDLMWBYPWCZQCT-HMMYKYKNSA-N 457.573 4.383 10 10 JICE CC[C@H](C)OC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857789 HLEDLKWTWICLEM-HNNXBMFYSA-N 473.485 4.222 10 10 JICE CC(C)OC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826776 MKLQPXZKYHKSHU-XWAFYUISSA-N 460.577 4.220 10 10 JICE CCC[C@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862171875 MRRLRGIWBKHYFH-VWLOTQADSA-N 495.664 4.314 10 10 JICE Nc1ccc(Cc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc2)cc1 1866278102 DPVMDDCXLHDJJB-QFIPXVFZSA-N 454.574 4.451 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867341130 ACKRGQOFGVCRJT-RPLLCQBOSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869316837 WKLQNCYDLAJFPZ-OYRHEFFESA-N 489.620 4.101 10 10 JICE Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3C2=O)c1C 1873744551 BJRCLRSYTUTVQI-UHFFFAOYSA-N 455.514 4.193 10 10 JICE CN[C@@H](c1ccc2c(c1)CCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268741918 KWMOKRXPSNTUSM-DEOSSOPVSA-N 451.611 4.393 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1[N+](=O)[O-] 2313557960 PTGJZOKJHMIBPN-UHFFFAOYSA-N 462.437 4.116 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 2313558917 MXDGEYZVUFHVOL-UHFFFAOYSA-N 480.492 4.384 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O 2313560460 UHDMFCZAIFGIFU-UHFFFAOYSA-N 458.312 4.007 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4ccc(F)cc4)CC3)ccc21 2318784232 NTAJNLKIQKFJJB-UHFFFAOYSA-N 482.511 4.492 10 10 JICE COc1cc(C=CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 2325318762 VEOHCUJWWAOUTO-HSZRJFAPSA-N 467.610 4.135 10 10 JICE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10913045 YQDSWLZCZNZNGQ-VWLOTQADSA-N 455.470 4.089 10 10 JICE Cc1ccc(OCc2n[nH]c(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 12529006 KXMDWGGVKHLERD-UHFFFAOYSA-N 484.537 4.198 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 14472891 WJDXLXIDDCECNC-YZZKKUAISA-N 488.997 4.011 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 33516539 IEIGJJUNPUXCPS-ZHZULCJRSA-N 494.642 4.243 10 10 JICE O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 101993295 RTNQMKNNIHANBW-NJYVYQBISA-N 475.859 4.174 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526439010 ZEHMTWBKQBLATI-DEOSSOPVSA-N 461.470 4.375 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526507695 UWGMZXHOEWYGIB-QHCPKHFHSA-N 462.502 4.238 10 10 JICE COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@@H]4C(=O)O)c(O)ccc3c2=O)cc1 1615247736 WNGGGYLJNNKCNU-MRXNPFEDSA-N 463.408 4.242 10 10 JICE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705875031 FDZKAIRNKCVAKC-UHFFFAOYSA-N 453.587 4.133 10 10 JICE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 1772759594 CFDSSAQFKPUBJM-BXNZEIDJSA-N 464.568 4.172 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)[C@H](C)C(=O)N2 1859573910 GWGCBCDGYJWYGB-VIFPVBQESA-N 462.484 4.022 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)sc(C)c1-c1ccc(F)cc1 1860627354 FOEJKFPDTMQEBQ-LJQANCHMSA-N 488.581 4.395 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905711 YQHWGXUUFSNBKK-LEAFIULHSA-N 464.654 4.303 10 10 JICE CCCn1c(C(=O)NCc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571987 NGCOPUNYKFSMRG-UHFFFAOYSA-N 498.631 4.415 10 10 JICE CCOCCOC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874010819 ASLLMSPWDPOSBY-UHFFFAOYSA-N 482.492 4.160 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)CC2)cc1 1874723510 NUDTYQMIUBBPHB-UHFFFAOYSA-N 461.537 4.482 10 10 JICE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 2271985649 IWEWLPHDSBXVGJ-SFHVURJKSA-N 462.635 4.260 10 10 JICE O=C1NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1 2293631580 MVBMRUODWFNGLO-UHFFFAOYSA-N 471.238 4.008 10 10 JICE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C(C)C)C1=O 2296851485 DRCWWCSWXBEWOE-UHFFFAOYSA-N 467.572 4.413 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314831869 UMDQRGZJDZEHSE-UHFFFAOYSA-N 493.607 4.118 10 10 JICE COc1cc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 2323886593 JPVRQMJJMOCYKC-SFHVURJKSA-N 485.587 4.347 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)OCc3ccccc3)c3ccccc23)SC1=S 2326945401 LNJCPDRNXGWSHJ-UHFFFAOYSA-N 494.594 4.451 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C(O)=NC2=S)c(OC)c1 18211122 BKMYLLYLROZSPT-UNOMPAQXSA-N 462.531 4.178 10 10 JICE CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)cc1 21359492 GEVFLIXFYMQYSE-UHFFFAOYSA-N 468.575 4.341 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 33438283 GYUSDSUBSICHNY-NBVRZTHBSA-N 456.637 4.385 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 33665296 YFIKVOZRZSCYSR-XTOVRFJNSA-N 499.552 4.215 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781525 GZLAEEWIKBXNMY-ATVHPVEESA-N 454.552 4.057 10 10 JICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OC 40940683 CYNZXZTXCRSPJZ-YBEGLDIGSA-N 493.404 4.321 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=N)N12 96475748 BSCLUAMSZOCTMC-HOMCDIFHSA-N 457.493 4.193 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226692980 DJVMZUNNPPWANT-UMEGOILYSA-N 470.591 4.478 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526630779 OMECCTKHYFGZSZ-QHCPKHFHSA-N 479.485 4.189 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526632082 IOEJBVGEBAYQCM-HSZRJFAPSA-N 479.485 4.189 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)CC2)cc1 743304472 HNLGCSQUEJURIM-UHFFFAOYSA-N 491.567 4.030 10 10 JICE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCCSc2nccs2)[C@@H](C)C1 1286882894 MSERYRCGIJEVBH-IBGZPJMESA-N 484.695 4.149 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1857997817 LURJHAXNEAZSRC-UHFFFAOYSA-N 498.536 4.237 10 10 JICE COc1ccc(N2CCN(c3nc(C)c(-c4ccc(Br)cc4)c(O)n3)CC2)cc1 1858505098 HQCOVSUSCFLLMM-UHFFFAOYSA-N 455.356 4.255 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nc5c(s4)CCC5)c4ccccc34)[C@@H]21 1860347453 QGAAFVKNMIPSSD-RUZDIDTESA-N 483.597 4.372 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3c(Cl)ccc(Cl)c3[nH]2)c2nccn2C)cc1 1866535054 PHPDGWYUZLMVPC-HXUWFJFHSA-N 470.360 4.154 10 10 JICE C[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866868793 YOYVKFABZFFIKE-INIZCTEOSA-N 494.551 4.164 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869300914 HZPGBNVKFXBHPD-UHFFFAOYSA-N 489.620 4.103 10 10 JICE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1Cl 1869969568 QNWMUKONFVDNOY-UHFFFAOYSA-N 468.989 4.385 10 10 JICE Cc1ccc(N=c2nc(N3CCc4ccccc4C3)[nH]c(N3CCc4ccccc4C3)n2)c(O)c1 1871732028 PPQVTQZMTPPMPB-UHFFFAOYSA-N 464.573 4.177 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873169911 HVLZXAWOCHKXAT-CLOONOSVSA-N 474.649 4.437 10 10 JICE CCCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548600 CAMSTVPWGVZSAI-UHFFFAOYSA-N 476.625 4.049 10 10 JICE CCc1ccccc1OCCn1cccc1C=C1C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 2293993167 QWRNCWSVDHHLGC-UHFFFAOYSA-N 461.469 4.311 10 10 JICE Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)cc1 2296056467 OPFMXYZWHMQQMY-UHFFFAOYSA-N 487.585 4.206 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323809293 VYMDJKBICCDQPN-HNNXBMFYSA-N 482.352 4.191 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328564237 VYRDWACGFBPZOJ-NDEPHWFRSA-N 483.612 4.093 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)c3ccco3)CC2)cc1 38619351 RBHZWHGVJNEEDS-VWLOTQADSA-N 497.661 4.364 10 10 JICE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 105052868 SEIHLZBEVAMKOE-UHFFFAOYSA-N 468.642 4.162 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 229086566 HJDIOPIPAGEURW-RJQOPERDSA-N 494.642 4.148 10 10 JICE CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312099 DLUSVNWDNMXYOD-DEOSSOPVSA-N 495.576 4.377 10 10 JICE O=C(Nc1cccc(C(=O)NC[C@H]2CCCO2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586704037 LMEHHPJNEUPYPY-LJQANCHMSA-N 469.497 4.015 10 10 JICE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1O 1705735929 YMFSDRALJOJZLE-NRFANRHFSA-N 485.629 4.327 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Br)cc1F 1860721374 QNSMBNXLHHGXOB-UHFFFAOYSA-N 466.532 4.438 10 10 JICE CN(C)c1ccc([C@H](NC(=O)CCC(=O)c2ccc(Br)cc2)c2nccn2C)cc1 1865944314 DYCIZSJCUYRMBB-QFIPXVFZSA-N 469.383 4.117 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970308 IENXGZJOLPJMLK-UHFFFAOYSA-N 468.989 4.241 10 10 JICE CC(C)(C)OC(=O)NC1CC2(C1)CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106807128 DZCZHLRMLWPIHP-UHFFFAOYSA-N 458.603 4.056 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)cc1 2297328618 GWMHSLJKXVGTKP-UHFFFAOYSA-N 493.497 4.093 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 20236898 ZHMCFHVDHAQACB-AMXFNNBISA-N 481.892 4.497 10 10 JICE CCOCCCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586630128 SUNRPOXUZGBACC-UHFFFAOYSA-N 471.513 4.262 10 10 JICE Cc1csc([C@@H](C)NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1 727669849 TXWHOXMIESPIKQ-LLUUXILJSA-N 482.450 4.293 10 10 JICE CC(C)n1cccc1CNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344713 AIQZVFJAAXITTN-UHFFFAOYSA-N 465.557 4.273 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(F)cc1 1860652039 SMHMFQLTJNGDBT-MJGOQNOKSA-N 488.581 4.395 10 10 JICE CCOC(=O)c1c(NC(=O)C(C)(C)C(N)=O)sc(C)c1-c1ccc(Br)cc1 1865787440 KAWLTHRNCMLWKM-UHFFFAOYSA-N 453.358 4.113 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)(C)C)CC2)n1 1868481517 TYGHIVBTBCEFEU-UHFFFAOYSA-N 469.589 4.472 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869268240 GXLJHAHAYMHMNK-UHFFFAOYSA-N 477.584 4.233 10 10 JICE CCCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870632386 ATBAYTWFQCSFLS-UHFFFAOYSA-N 491.632 4.437 10 10 JICE CCCCOC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871200007 FMHVQQFLKIKYRJ-UHFFFAOYSA-N 479.577 4.309 10 10 JICE COc1cc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952153315 SLVDELLGYLWFOG-AREMUKBSSA-N 463.486 4.335 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079997545 DZAYLURDSVLFAM-SFHVURJKSA-N 467.351 4.422 10 10 JICE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106868296 QYOPFFKEUNKMHD-ZCYQVOJMSA-N 452.643 4.355 10 10 JICE CC(=O)O[C@@H]1[C@@H](N2CCCCC2)c2c(ccc(C=CC(=O)N3CCCCC3)c2O)OC1(C)C 2295103348 FRDWBYRDTKNHAO-UKILVPOCSA-N 456.583 4.048 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 2296756146 BQXCPZDDFZEMNW-UHFFFAOYSA-N 457.533 4.229 10 10 JICE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 2297345433 WDKQUDKDQKGPQA-UHFFFAOYSA-N 496.401 4.022 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1O 2314764827 NFVVGDJCTMSAEG-UHFFFAOYSA-N 479.377 4.018 10 10 JICE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)N(C)C)cc1 2323879779 FLHXPOQSBSGKLC-GOSISDBHSA-N 458.605 4.217 10 10 JICE Cc1ccc(CN=c2[nH]c(Br)c(Br)s2)c(O)c1Br 2327583248 KZHJNIBGHMTGRI-UHFFFAOYSA-N 456.985 4.479 10 10 JICE O=C(NCCc1ccccc1F)[C@@H]1C[C@H](NCc2ccccc2O)CN1Cc1cccc(Cl)c1 20910204 FVQKMVMDDNWZDO-ZCYQVOJMSA-N 481.999 4.276 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(C)ccc4C)n3)CC2)cc1 33309915 VNUXHLLMBVPCSV-UHFFFAOYSA-N 463.607 4.159 10 10 JICE COc1ccc(CNc2c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066646 MKNWAFIHKLQSEA-MTJSOVHGSA-N 494.642 4.330 10 10 JICE O=C(NC[C@@H]1CCCO1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586615251 SLDQMWVBOUMBQT-SFHVURJKSA-N 469.497 4.015 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2c(s1)C(=O)CCC2 727713422 AOFZZFGSNXVVTF-UVTDQMKNSA-N 463.631 4.344 10 10 JICE COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1Br 1084500070 WLGIOXRTPIRTPS-WJDWOHSUSA-N 451.276 4.277 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)CCC(C)C)CC1 1690835285 YTNXSRZWGGQEMB-MUUNZHRXSA-N 492.668 4.208 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CCN3CCCCC3)c3ccccc23)SC1=S 1860826380 DYIUBBHVTFZSIM-HMMYKYKNSA-N 457.621 4.193 10 10 JICE CCCC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862304900 WWSJPMLXDQPVDQ-NRFANRHFSA-N 461.965 4.125 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166398 OJFXCMZZVUEGNQ-DEOSSOPVSA-N 473.548 4.282 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(Br)cc(OC(F)(F)F)c3)CC2)cc1 1891710107 IUYNJPQBDICICE-UHFFFAOYSA-N 459.262 4.319 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)NC2=S)cc1 2296608889 AYGXALWKXGIUSR-UHFFFAOYSA-N 487.581 4.274 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 2297331530 HXFIJPXEZDXMFI-UHFFFAOYSA-N 459.296 4.361 10 10 JICE O=C(O)CCCNC(=O)CCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314827395 DASXZZBBXJETBD-UHFFFAOYSA-N 470.572 4.051 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2533283 NNYLQOSICSEFEU-FMQUCBEESA-N 469.563 4.183 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 16926799 NFFYLEFGJAYLFW-RZNTYIFUSA-N 464.318 4.251 10 10 JICE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 27570076 KRSFVVKKNMQOKR-HKWRFOASSA-N 473.451 4.048 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nccnc3Sc3cccc(C)c3)CC2)cc1 33289062 SXPJGXOGHFJTCB-UHFFFAOYSA-N 466.632 4.386 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc(Br)c1OC 59861612 MIYXSBKXVPATCQ-DHDCSXOGSA-N 475.295 4.372 10 10 JICE C[C@H]1CN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586709323 QRTYJPAXESMZMO-CALCHBBNSA-N 483.524 4.355 10 10 JICE CC[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156476 BFDNRZWUQJRKOD-NCZOVAKNSA-N 476.404 4.259 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016378 NNKNPBJGWVBBAJ-JOCHJYFZSA-N 486.572 4.200 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865032148 WRNMNTKEWLFXPT-JKSBSHDWSA-N 488.588 4.180 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 1866141664 ZHLMGAADSCRLTA-XZOQPEGZSA-N 458.647 4.185 10 10 JICE CCC[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866639880 IHZLGNKWUGZWHL-IBGZPJMESA-N 483.480 4.247 10 10 JICE Cc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867895195 ZQCVBDNVCFBXRM-VWLOTQADSA-N 464.654 4.221 10 10 JICE CCOc1cn(CCc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870363400 VORMVTBHWKFCNW-UHFFFAOYSA-N 461.606 4.129 10 10 JICE COCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870945993 MVTSTWBBFKGKSV-UHFFFAOYSA-N 478.593 4.144 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871652002 SIPITUHLUXDNFK-UHFFFAOYSA-N 499.663 4.405 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCC(C)C)ncnc21 1875208405 IGOGHMOHUNLFQY-UHFFFAOYSA-N 464.614 4.270 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052772 PGJFNJFBENDJBE-OAHLLOKOSA-N 472.323 4.443 10 10 JICE CCN[C@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106857079 HGMDRYBJCUQEBZ-UKILVPOCSA-N 452.643 4.355 10 10 JICE CCOc1cccc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1O 2187393600 UNZQSIFOGBUZCO-UHFFFAOYSA-N 469.626 4.440 10 10 JICE COc1ccc(C=C2C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(OC)c1OC 2293228308 QEMVEBSLXZFSOX-UHFFFAOYSA-N 468.560 4.222 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2296397934 IDVAYSBWPPYJMN-UHFFFAOYSA-N 490.501 4.271 10 10 JICE Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 2296566769 DCNAPGMSXTZUNI-UHFFFAOYSA-N 460.486 4.098 10 10 JICE CCOc1ccccc1N1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)O)c(OC)c2)SC1=S 2314933029 RHORAROITKAZKJ-CYBMUJFWSA-N 459.545 4.352 10 10 JICE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2369080066 ALRDBRBFPVVSLF-VNQPRFMTSA-N 461.784 4.065 10 10 JICE CN(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 9441311 LMCGKSDEJNHNHN-HNTIPGDBSA-N 480.611 4.036 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469293 LTPKMFRRZGBUPH-WZOHSFFVSA-N 450.535 4.213 10 10 JICE Cc1ccc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 20356589 KZPLVHDOJOCCEW-ZRAMOQLOSA-N 476.606 4.328 10 10 JICE CCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 33364147 YQQDBQMOJDXVLT-YZYPPFLQSA-N 469.650 4.043 10 10 JICE Cn1c(=O)c2c(-c3ccc(OCc4ccccc4)cc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 33513695 RHEDWLLZWCMLJP-UHFFFAOYSA-N 475.504 4.090 10 10 JICE COC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 40938569 HRVRDBBLZAUDBE-GDNBJRDFSA-N 488.425 4.399 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)c(C)n1-c1ccccc1 62694244 AVNBUXAKNZCEOE-UHFFFAOYSA-N 455.480 4.152 10 10 JICE Cc1nc2cc(N3C[C@H](C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3=O)ccc2s1 170564229 ZLROVZBMHDZMKY-OAHLLOKOSA-N 481.533 4.372 10 10 JICE CCc1ccc(S(=O)(=O)N(C(=O)C2CC2)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586263150 DNAWEWLKTMYHFJ-UHFFFAOYSA-N 459.523 4.156 10 10 JICE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2cc(Br)cc(F)c2O)C1 717048475 NFULJTNZTLNWIF-GFCCVEGCSA-N 453.299 4.276 10 10 JICE CC(C)(C)OC(=O)NC[C@H](NCc1c(O)cccc1Br)C(F)(F)C(F)(F)F 722725299 HHVADRKMOWTOGE-LBPRGKRZSA-N 463.241 4.335 10 10 JICE CCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168073 IDEOLEAZKLDNEY-UHFFFAOYSA-N 471.557 4.493 10 10 JICE COc1ccc(OCCOc2cc(C)cc(C)c2)c(C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293500033 GQWNIAFFTUIVHH-UHFFFAOYSA-N 458.514 4.231 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)c1 2294265187 GOLRSTQXTYKIHL-UHFFFAOYSA-N 472.522 4.104 10 10 JICE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296175761 SGQYHYFKHBBQPA-UHFFFAOYSA-N 453.567 4.471 10 10 JICE COc1cccc(C=C2SC(=S)N([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 2296885528 YQQZMIUJZMDBKE-OAHLLOKOSA-N 465.600 4.125 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1Cl 2313558593 FLKJUKYCZAELRM-UHFFFAOYSA-N 484.892 4.357 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1)C(=O)O 2314929074 GTICOYHTVGQYBU-INIZCTEOSA-N 476.963 4.128 10 10 JICE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139816 VSPISTBXKAQCPX-UHFFFAOYSA-N 467.541 4.273 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCc4ccccc4C3)nc12 2220278 BNNPHXWWMBTOAT-FYJGNVAPSA-N 490.654 4.423 10 10 JICE CCOC(=O)c1nc(N2CCN(c3ccc(OC)cc3)CC2)c2c3c(sc2n1)CCCC3 10013098 NVQMLXJOSNBNSI-UHFFFAOYSA-N 452.580 4.082 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OCC 13343577 XEAFVONFKSQZNF-UVTDQMKNSA-N 474.398 4.313 10 10 JICE CCOc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 39794062 HLMGPSPVYOTPPK-YVLHZVERSA-N 493.404 4.354 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066669 WUPBYBRUEOTNJX-JMIUGGIZSA-N 494.573 4.311 10 10 JICE CCNC(=O)COc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917632338 AODJXBSXBWSJJV-HSZRJFAPSA-N 471.517 4.361 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC)cc1C 1857997058 YYWZDPJFQITHQY-UHFFFAOYSA-N 459.499 4.427 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)cc(C)c4)n4ccccc34)CC2)cc1 1858226312 FAGGYZRYFXGBIQ-UHFFFAOYSA-N 483.572 4.174 10 10 JICE COc1ccccc1C(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860502547 ZABITQXSJWSWLI-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867341131 ACKRGQOFGVCRJT-SHQCIBLASA-N 468.617 4.134 10 10 JICE CCCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871724182 ITCHVJOSDCVUQY-UHFFFAOYSA-N 491.640 4.373 10 10 JICE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)c(Br)c1 2296835662 LOERHRYBPBVMIB-CYBMUJFWSA-N 496.360 4.147 10 10 JICE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C1=O 2313631725 XUCHYAYEBKAMOV-UHFFFAOYSA-N 466.335 4.492 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 2314650351 BASXOQFUMSOAAU-CQSZACIVSA-N 463.558 4.052 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1)C(=O)O 2314930984 KKYXWZCMQOELNK-MRXNPFEDSA-N 476.963 4.128 10 10 JICE Cc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 9778834 VKFCDYWGLGRVSW-PKTZIBPZSA-N 459.933 4.467 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1C 11857962 PYHAMOYILSKBGA-CQSZACIVSA-N 473.576 4.346 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=N)N12 20205550 MBGYQXRYWTVMHE-FJRYHWHXSA-N 452.561 4.474 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C4SCCS4)c3)CC2)cc1 743287392 IDBZOKCNTDSCNQ-UHFFFAOYSA-N 458.653 4.118 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C(C)C)C(C)C)CC1 1359383796 ISJPLVKMUXOHFR-UHFFFAOYSA-N 491.684 4.140 10 10 JICE Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860587786 VVGWNQFQXXYYJU-UHFFFAOYSA-N 452.510 4.261 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N=c2cc[nH]cc2)sc(C)c1-c1ccc(Br)cc1 1860747023 PTNZOUKMDWKEGG-UHFFFAOYSA-N 488.363 4.057 10 10 JICE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C)c1-c1ccc(F)cc1 1865767998 KJEXVLNLCRJERT-UHFFFAOYSA-N 466.581 4.228 10 10 JICE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1cccc(Cl)c1 1869970224 FYCBLGOQRIMENU-UHFFFAOYSA-N 468.989 4.385 10 10 JICE CCCNC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135301 ZJDZEJWSBVKULD-VWLOTQADSA-N 490.604 4.288 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425706 BYSPQRLYEXIAJU-UHFFFAOYSA-N 469.520 4.391 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2040862545 XHJUYNNTXWXWJI-GFCCVEGCSA-N 472.327 4.383 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2Br)C(C)(C)C)c(O)c1 2079846985 LWJZMOGTYAPPBP-CYBMUJFWSA-N 450.255 4.113 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2293798405 WPNHESRXICFHMB-UHFFFAOYSA-N 489.123 4.359 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC 2294244452 KQLDTTUIDNGALF-UHFFFAOYSA-N 475.364 4.078 10 10 JICE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296541872 CFPPEDDIYLIBKE-HZPDHXFCSA-N 456.637 4.095 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296846632 IBWQLKLLBZIRNH-UHFFFAOYSA-N 474.652 4.231 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2314831917 VQLSTGKJHNWRNA-UHFFFAOYSA-N 457.533 4.224 10 10 JICE O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14461263 MHIZRKNXZNZECY-PNLZDCPESA-N 455.352 4.454 10 10 JICE COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@H](N(C)Cc1ccccc1O)CC2 14712615 GIMKKBXYBJRFFI-HXUWFJFHSA-N 463.530 4.270 10 10 JICE biogenic C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)C(=O)O 15045020 NSHWSWRFSMGXOL-HKLRHMNMSA-N 475.419 4.344 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473036 SIXMHEDKUXEUDJ-UNOMPAQXSA-N 480.590 4.144 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 35363603 FLJQZPRDISKKCC-OEAKJJBVSA-N 473.489 4.380 10 10 JICE Cc1c(Br)ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1C 59859760 VDHPHQPGQAROCS-QGOAFFKASA-N 484.350 4.409 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Cl)c1O 1083870328 OPGWTIMVRDTCHZ-YFHOEESVSA-N 499.745 4.177 10 10 JICE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858688039 TYYAHSRWQIGCRS-CYBMUJFWSA-N 456.886 4.343 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861922829 PNKITKAUVADOLU-QFIPXVFZSA-N 477.527 4.351 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864009781 DKQDWANQPISZPS-QKKBWIMNSA-N 496.995 4.499 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028170 RCBYFZRUIGAQQO-JOCHJYFZSA-N 494.979 4.198 10 10 JICE CSCC[C@@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987055 GYCVLEGPMSDAKP-QHCPKHFHSA-N 459.571 4.216 10 10 JICE CCCOc1cn(Cc2ccccc2C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658442 KVEBYKWPVWCIAE-UHFFFAOYSA-N 461.606 4.325 10 10 JICE O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)cc(Br)c1O 1410797 ZUBQJDPZGFUBJB-UHFFFAOYSA-N 454.070 4.099 10 10 JICE Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 2462324 VDUHRCNLAYKONV-DEOSSOPVSA-N 458.518 4.266 10 10 JICE COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15037881 KFEWLGSLAGOSDC-BOPFTXTBSA-N 493.404 4.393 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33474118 FMBNNFOKOZOFDX-VLGSPTGOSA-N 456.637 4.466 10 10 JICE COc1ccccc1OCCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33643060 VIZWCTXJSHLOFO-XLNRJJMWSA-N 453.498 4.190 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35239487 MAXVGFSSQZQYJC-CXUHLZMHSA-N 463.924 4.184 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3[nH]c4ccccc4c3CCN(CC)C(C)=O)C2=O)cc1 59089768 GLOHIMLWMTXUGX-JWGURIENSA-N 488.544 4.484 10 10 JICE COc1ccc(-c2nnc(S)n2CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cc1 60162126 FLGXVGIMWVYHSB-UHFFFAOYSA-N 465.623 4.328 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864007693 SDIJDBAPYJPAPW-VWLOTQADSA-N 496.567 4.036 10 10 JICE C[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866868794 YOYVKFABZFFIKE-MRXNPFEDSA-N 494.551 4.164 10 10 JICE CC[C@](C)(NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867341129 ACKRGQOFGVCRJT-IGKIAQTJSA-N 468.617 4.134 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917519 KFVUOJQRSZMZGU-UFHPHHKVSA-N 480.653 4.003 10 10 JICE CC(C)(C)OC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870868086 UCLKRBFLTZTSTO-UHFFFAOYSA-N 479.577 4.307 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCCCC5)ncnc4n3CC(C)C)CC2)cc1 1873550787 NAYRYJZBJQBDNH-UHFFFAOYSA-N 490.652 4.439 10 10 JICE CN(C)Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1O 1952950654 MODWLWMPGBCBLB-RBJSKKJNSA-N 472.541 4.292 10 10 JICE Cc1ccc([C@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)c(O)c1 2079025887 RLLWQGKKHBTJBJ-KRWDZBQOSA-N 451.352 4.401 10 10 JICE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047308 CGIYEVKQLKJKIV-ZDUSSCGKSA-N 451.230 4.411 10 10 JICE COCCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)C(C(=O)OC)=C1C 2294037440 FKHFTWUVJFWYLW-UHFFFAOYSA-N 472.969 4.465 10 10 JICE CN(C)c1ccc(CN(C(=O)C=Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2296543471 FAEIQLUCJDXPLU-XMMPIXPASA-N 454.636 4.279 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 2297350134 YKHQYEZFTJZNOU-UHFFFAOYSA-N 495.007 4.237 10 10 JICE COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2297465517 SITBSXPDEXRZDH-OAHLLOKOSA-N 457.573 4.345 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831873 UQRAXSBIOVBFBN-UHFFFAOYSA-N 470.572 4.491 10 10 JICE CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 8608574 RSDMWJBIOYMHPF-AREMUKBSSA-N 465.619 4.234 10 10 JICE aggregator O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)c1 14472820 RFJHWUUUBYSOLP-PNLZDCPESA-N 475.954 4.096 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066629 XJLAQGCWEJMCQG-NDENLUEZSA-N 482.631 4.187 10 10 JICE Cc1ccc(CCN2C[C@@H](C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)CC2=O)cc1 40325480 NAJJNOHDBVSNCP-DEOSSOPVSA-N 459.590 4.274 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 102440861 DLXDDVYCXVOUMR-GZTJUZNOSA-N 493.404 4.403 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526282739 WFYXPZWPXLBBFO-XMMPIXPASA-N 473.485 4.439 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C(=O)OC)c2)[C@@H]1c1ccc(O)c(O)c1 526471435 ZEKFBEUMEDFARS-HSZRJFAPSA-N 491.496 4.349 10 10 JICE CC1CCN(c2ccc(CNC(=O)CCc3nc(O)c4cnn(-c5ccccc5)c4n3)cc2)CC1 731015827 IKTDIWUFLJVGMF-UHFFFAOYSA-N 470.577 4.006 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1465951616 PFCNZVRJPMHIRU-GGAORHGYSA-N 453.970 4.090 10 10 JICE O=C(Nc1nnc(C2=S=CC=C2)s1)c1c2c(nc3ccc(Br)cc13)CCC2 1859656729 YPWFBZPNTBAZGM-UHFFFAOYSA-N 457.378 4.216 10 10 JICE COc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 1860743928 GGESQUKVJBNZGB-UHFFFAOYSA-N 493.475 4.235 10 10 JICE CCSc1ccc(Cl)cc1CC(=O)N[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861907573 DCUMSCHGGSQDGV-JOCHJYFZSA-N 490.069 4.247 10 10 JICE CCC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862196207 NDKFVCHXOSLJJK-OAQYLSRUSA-N 494.419 4.015 10 10 JICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012479 AJFZNTDBQRSMMV-QRQCRPRQSA-N 494.567 4.044 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873165928 XELPSFOHROUJCE-UHFFFAOYSA-N 495.627 4.049 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C[C@H]21 2163175805 DSPZLHXIANERAX-YRISNDGFSA-N 472.630 4.302 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541927 NZOSLJZTDWCHRR-HZPDHXFCSA-N 456.637 4.096 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 2296775078 DGEWPTSLIMZZBH-UHFFFAOYSA-N 478.508 4.255 10 10 JICE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1F 2297299263 IUMRDDLVNIVOCY-UHFFFAOYSA-N 478.480 4.218 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 2313549387 VAURVJMTKHUMAL-UHFFFAOYSA-N 467.478 4.003 10 10 JICE COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 967135 YWENCFPSKCRGNY-DHDCSXOGSA-N 480.361 4.356 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)C(C)C)c(OS(C)(=O)=O)c1 37422395 GQRHIHACYBUOIM-UHFFFAOYSA-N 450.576 4.195 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)c(Cl)c3)C(=O)c3ccccc3C2=O)cc1 253561089 BQUXXQXLZJTAQY-BDTNDASRSA-N 489.886 4.483 10 10 JICE CCCN(CCCS(=O)(=O)O)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 255966113 BZRWWAYVITZYRZ-UHFFFAOYSA-N 457.350 4.459 10 10 JICE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4cc(C)ccc4OC)n3)ccc21 1859572514 NLFHZBIKRFRDIM-UHFFFAOYSA-N 457.577 4.227 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864016266 KVQAMKYNKUMDDE-NRFANRHFSA-N 476.577 4.372 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031934 RPYHLAUTQNWHLG-HTAPYJJXSA-N 488.588 4.324 10 10 JICE O=C(Nc1c(Br)cc(Br)cc1Br)c1cc(O)c(O)c(O)c1 1865876575 UEELZLHPHYVYAY-UHFFFAOYSA-N 481.922 4.343 10 10 JICE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868228884 ZSVXFFKZTONITM-UHFFFAOYSA-N 495.583 4.178 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1869133050 RRCIVRNOTMRIIO-RUZDIDTESA-N 490.627 4.006 10 10 JICE COCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420525 OZKLVQWLCMEYMP-UHFFFAOYSA-N 457.530 4.135 10 10 JICE O=C(N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@@H]1C(=O)O)OCc1ccccc1 1952774360 GRYGKDMNRLTTFT-FZKQIMNGSA-N 485.128 4.143 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C(C)(C)CNC(=O)OC(C)(C)C 2074366433 CXAQCJVSIBOCHD-LJQANCHMSA-N 450.624 4.026 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)SC1=S 2296453370 WCRYAVDWVTWKPY-UHFFFAOYSA-N 482.352 4.453 10 10 JICE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296846688 TXCSNGPXJZILPJ-UHFFFAOYSA-N 450.589 4.226 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc(C)cc3)c3ccccc3)CC2)cc1 2328563185 XMTOSCZCVHYVLW-NDEPHWFRSA-N 469.585 4.223 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641925 RNPAWDXGROARIG-IECBHUPTSA-N 452.551 4.305 10 10 JICE Cc1c(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 27230544 UJNPAPBYFKLMIB-MOSHPQCFSA-N 460.584 4.382 10 10 JICE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 39983401 GTMDUVQEEFMJNW-GHVJWSGMSA-N 493.654 4.154 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(SCC)=NSC4=NC3=O)o2)cc1 104372519 PIVJPFKQSODQCL-WQCWKDQBSA-N 454.533 4.453 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1 105435889 DEOYJWHXYVZVBN-KMDXXIMOSA-N 465.505 4.307 10 10 JICE CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O 1084183334 QSADXGZONMFAIZ-ATVHPVEESA-N 450.834 4.307 10 10 JICE CC(=O)c1nc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)sc1C 1544000221 SYUCLSYEADHVGO-LCYFTJDESA-N 451.620 4.336 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)CC2)cc1 1858382415 KESLMEAZDZDVRF-VWLOTQADSA-N 469.585 4.173 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(Cl)cc1 1860746741 BAHATBRKDZIXJJ-UHFFFAOYSA-N 485.949 4.230 10 10 JICE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865031883 QPSRCPXUPILQBE-OAQYLSRUSA-N 476.577 4.180 10 10 JICE CCc1ccc([C@@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CCO2)cc1 1869296805 NQVOGHZPADFYDL-SANMLTNESA-N 473.621 4.261 10 10 JICE CCCCOCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165727 RKPRIQQKSCXMEF-UHFFFAOYSA-N 481.637 4.395 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)NCc1ccccc1 15045290 MBQHQNOQJZQVGO-MOSHPQCFSA-N 456.589 4.176 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCCC(=O)O 16919538 BYFMGJSXADORGG-CPNJWEJPSA-N 459.545 4.353 10 10 JICE CN(C)c1ccc(CNC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)cc1 33127000 CINIKOUVKPBTNV-UHFFFAOYSA-N 483.490 4.371 10 10 JICE CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933406 USSQYOCLACYPSD-OAQYLSRUSA-N 478.515 4.005 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 96450620 KDNVCZDENVUGDT-TWGBNTOESA-N 483.531 4.122 10 10 JICE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705509834 KGNNNICQCKYJMA-HHHXNRCGSA-N 458.610 4.119 10 10 JICE CCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871694464 KLQFVIHXVMXOBG-UHFFFAOYSA-N 490.656 4.040 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873166858 ZEYJJTLFNWAFSR-DEOSSOPVSA-N 455.558 4.143 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NCc1cccc(Br)c1O)CO2 2160182951 QUEAXCFXBJRLIJ-LJQANCHMSA-N 475.383 4.205 10 10 JICE Cc1c(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297296796 PPRJFMPLFPSCRH-UHFFFAOYSA-N 492.626 4.105 10 10 JICE CCOC(=O)COc1c(C=C2SC(=S)N(c3ccccc3OC)C2=O)cccc1OC 2297366707 UUBSDTUNLIFVOR-UHFFFAOYSA-N 459.545 4.052 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 2313609894 OGIMDKRGNZLECK-UHFFFAOYSA-N 451.331 4.232 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 2314933440 VZUFKAQLWMXMKZ-UHFFFAOYSA-N 473.572 4.001 10 10 JICE CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 3864083 DBVWLBGDGRNBFH-SJSMOWRDSA-N 457.515 4.447 10 10 JICE O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)N=C1O 33306132 HZPMQQBISLFIJG-STZFKDTASA-N 472.453 4.236 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc(OC)c1OC 33671523 KOUZGEAZFLHCIS-DALCUZTNSA-N 468.560 4.222 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33780908 AELGFTDWYNVKQR-XDJHFCHBSA-N 486.663 4.313 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c(C)n1-c1ccccc1 62694414 NHOHNHYKOVUPOD-UHFFFAOYSA-N 486.037 4.078 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc(C(=O)O)c1 105571452 YERKKLCYLPWKMY-AWZKZOKMSA-N 450.436 4.292 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 210745327 SLNYQEWQXYRVFH-XMHGGMMESA-N 470.572 4.491 10 10 JICE CCc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860592871 QSGXGLZLHHQZDR-UHFFFAOYSA-N 496.563 4.281 10 10 JICE O=C(Nc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860737520 BQUVZTXAHIHUBU-UHFFFAOYSA-N 471.469 4.302 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccccc1 1860759458 BLPWRSJSKCLOCH-UHFFFAOYSA-N 454.523 4.337 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033508 BFAZWYUCCQJNGS-KRWDZBQOSA-N 494.514 4.209 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4C)n3)CC2)cc1 1871336494 QBPHNLUYTPVTRY-UHFFFAOYSA-N 453.546 4.214 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(CCN(C)C)C2=O)cc1 1873169197 DTIAOJMUNHFTGK-UHFFFAOYSA-N 462.638 4.438 10 10 JICE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1875201888 AGXPTPNHHVVSPO-UHFFFAOYSA-N 450.587 4.024 10 10 JICE O=C(O)CCC[C@H](NC(=O)OCc1ccccc1)c1cc(I)ccc1O 1951596295 GOLWETSXRVCSSC-INIZCTEOSA-N 469.275 4.219 10 10 JICE COc1ccc([C@@H](n2nc(C3CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080021786 AIAUXJPKICDBOS-QGZVFWFLSA-N 455.340 4.174 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2106715780 BMFUANQBIBNZBM-FQEVSTJZSA-N 460.619 4.302 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H](CN)C(C)(C)CNC(=O)OC(C)(C)C 2194841823 FKPIJYJYNZXDNG-OAQYLSRUSA-N 476.662 4.342 10 10 JICE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740762 MSNFQZKSIYCBEE-MRXNPFEDSA-N 471.600 4.470 10 10 JICE COc1ccc2[nH]cc(C=C3SC(=S)N(c4ccc(N5CCOCC5)cc4)C3=O)c2c1 2321734565 ASXLWIYJQTVMSH-UHFFFAOYSA-N 451.573 4.419 10 10 JICE COCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2204193 FEXVZAQTCKSFSD-SFQUDFHCSA-N 469.613 4.002 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 15047117 NSTPMJRHJBUMBW-RMENWYJGSA-N 470.572 4.100 10 10 JICE CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 17123277 OTNJYSPLIGAWFC-BOPFTXTBSA-N 474.348 4.460 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnc4c(c(C)nn4C)c3Nc3ccc(C)cc3)CC2)cc1 33277116 YMNQKSUBWLCHNP-UHFFFAOYSA-N 470.577 4.300 10 10 JICE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1 34988811 WKCLKJKYGMUMJB-UHFFFAOYSA-N 453.292 4.429 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3ccc(Cl)cc3Cl)C2=O)c1 62050002 JJSOIGKKSNQUQZ-VCHYOVAHSA-N 497.425 4.398 10 10 JICE CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2 95901922 MRJCPWMBHXTRFB-HGAMEBRSSA-N 488.584 4.246 10 10 JICE O=C1[C@@H]2[C@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 104800470 ZULCMHYQZWBAGM-ACRUOGEOSA-N 475.859 4.174 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)s1 209422224 JEODUOIGPHZBDR-JLHYYAGUSA-N 468.626 4.409 10 10 JICE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)cc2)C1 918117479 FYEYEVZMDWZYOX-OAQYLSRUSA-N 476.552 4.319 10 10 JICE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)CCCN2C 1705491958 JUERZKMFQWOQGR-FQEVSTJZSA-N 492.668 4.281 10 10 JICE CC[C@@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868839343 YTPUVTWRXBOJEJ-DHIUTWEWSA-N 458.002 4.086 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166399 OJFXCMZZVUEGNQ-XMMPIXPASA-N 473.548 4.282 10 10 JICE Nc1ccc(CCC(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1999144391 WNPYUKADHSCLOX-UHFFFAOYSA-N 459.546 4.178 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1 2042447192 ORHZKQGHRQVLCK-UHFFFAOYSA-N 471.163 4.500 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2293648376 CSRQCMWRXQPYSN-UHFFFAOYSA-N 481.258 4.074 10 10 JICE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297353190 QUMLVXPALGKUTB-UHFFFAOYSA-N 494.533 4.172 10 10 JICE COC(=O)COc1ccc(C=C2SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 2297559747 FQJBTGXFXVXONG-UHFFFAOYSA-N 457.573 4.081 10 10 JICE COCCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S 2297560253 HABIWRZTZHOUSE-UHFFFAOYSA-N 488.396 4.270 10 10 JICE CSCCN(CC(=O)N(C)Cc1ccc(C)c(Br)c1O)C(=O)OC(C)(C)C 2380784217 RJKUSGMDCLSULH-UHFFFAOYSA-N 461.422 4.022 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(c3cccnc3)=NN12 1868915 GTPQHJNIDBJYFH-KHCNQNERSA-N 484.497 4.236 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)c5c4CC(C)(C)CC5=O)cc3)CC2)cc1 21717304 SPTVOVYJGHVQKB-UHFFFAOYSA-N 472.589 4.307 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33459454 SXJKDJHGTMPPLN-YAJBTMAUSA-N 456.637 4.239 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473035 SIXMHEDKUXEUDJ-XDHOZWIPSA-N 480.590 4.144 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccc(C=O)cc3OC)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413216 CODVXSVABJYSTA-RUZDIDTESA-N 487.556 4.339 10 10 JICE N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102478336 MDBDCVFMCUBONE-MHSKWJQOSA-N 467.938 4.232 10 10 JICE CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC)cc42)C(CN2CCCCC2)=CC3(C)C)SC1=S 1081156935 WIABUNSDQPPWIL-VZCXRCSSSA-N 483.659 4.295 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C4SCCCS4)cc3)cc2)CC1 1634074531 PDHTXQGSBSTMCS-UHFFFAOYSA-N 455.649 4.154 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(CC)CC)sc(C)c1-c1ccc(OCC)cc1 1860762376 DRWQPNSIKHCINR-UHFFFAOYSA-N 489.638 4.086 10 10 JICE CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145621 XFYXHFWHGURJET-NCZOVAKNSA-N 476.404 4.259 10 10 JICE CCCC[C@@H](NC(=O)CCCOc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216198 WKJRJMWRRMSGIY-AREMUKBSSA-N 481.637 4.186 10 10 JICE CCC[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862228653 WCACCLGLYGGIAT-HSZRJFAPSA-N 488.028 4.141 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864013772 FYXQIXNTDNRDJV-CDMIOBSGSA-N 482.625 4.292 10 10 JICE CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867331844 UQYJNLDPYVCSQM-FTJBHMTQSA-N 496.721 4.256 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385625 IFRLJXAAQOTQQV-SXOMAYOGSA-N 494.680 4.393 10 10 JICE CCN(CCc1ccncc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)C)n1 1867949653 KYIIJFYCEDDCDO-UHFFFAOYSA-N 460.626 4.399 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 1874756041 HIAFCLPZQYKGTA-UHFFFAOYSA-N 488.544 4.251 10 10 JICE COc1ccc(C=CC(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1 2297332717 BDFKYVUUIIPPAL-UHFFFAOYSA-N 480.572 4.320 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2341827856 AYZOMPXRLRPYAK-PCCBWWKXSA-N 462.635 4.168 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc(I)c1O 6386931 IFURDGDUQFJPTC-OVCLIPMQSA-N 498.367 4.192 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468526 MVHRELOAXGMVLE-RLSLOFABSA-N 468.575 4.232 10 10 JICE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 33374332 SAQMVFXAPCGRER-QURGRASLSA-N 493.610 4.195 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccccc1I 59372416 PQSNAMPOYZDHOC-LZYBPNLTSA-N 496.351 4.291 10 10 JICE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@H](C)O1 586672345 WZKKTDMPIYMYPK-IRXDYDNUSA-N 483.524 4.355 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 1858590913 OAFUZNROUXHIOJ-CXUHLZMHSA-N 473.428 4.085 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031935 RPYHLAUTQNWHLG-JTSKRJEESA-N 488.588 4.324 10 10 JICE CCC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684861 XWUAOEBFYRBDOU-DVECYGJZSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(-c4ccccc4)n3)CC2)cc1 1869970954 UUBDGQVFUALACV-BUHFOSPRSA-N 486.601 4.316 10 10 JICE CC(C)CCOC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871030777 GFKAVLJQBVBZPW-UHFFFAOYSA-N 479.577 4.164 10 10 JICE NC(=O)COc1cn(Cc2ccccc2F)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871117773 SVXHDFJHQDOSTE-UHFFFAOYSA-N 472.520 4.256 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873167081 RBVUZFRFONAHLW-HSZRJFAPSA-N 473.548 4.282 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875202415 PGKDLYYPRKZINT-UHFFFAOYSA-N 498.631 4.385 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2cccc(Br)c2O)C1 2025234143 PXPJZIGXMBHFQI-HXUWFJFHSA-N 490.442 4.366 10 10 JICE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053528583 MMFMWKWFLWLFGI-CQSZACIVSA-N 494.572 4.271 10 10 JICE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106821054 QLJPEYDPQCNRDK-IGKIAQTJSA-N 451.611 4.490 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2296660058 ABNIHINOWXEOIG-UHFFFAOYSA-N 498.586 4.046 10 10 JICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296846704 WDSTURRFGCDLQT-UHFFFAOYSA-N 494.642 4.481 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N21 2297345644 OJGQLLLOFKHRAJ-UHFFFAOYSA-N 490.010 4.067 10 10 JICE COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)C2=O)cc1 2313681826 ODGLMAJXADOEKH-UHFFFAOYSA-N 495.561 4.209 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2314504328 FCLCTKJHPVTPBG-UHFFFAOYSA-N 481.599 4.423 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314740512 KAHWQILDGUBRFQ-UHFFFAOYSA-N 457.573 4.429 10 10 JICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OCC)c2)SC1=S 2314761475 UHYZFVMQGZFNJQ-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2314769390 PQWKZNDLUKXQPD-LJQANCHMSA-N 472.544 4.499 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1nccs1 2314837607 UTINZEOEIPJDOB-UHFFFAOYSA-N 462.578 4.452 10 10 JICE CCOc1ccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1OC 2321734613 IWOGUXJDHWXUHN-UHFFFAOYSA-N 456.589 4.336 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328564236 VYRDWACGFBPZOJ-MUUNZHRXSA-N 483.612 4.093 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641161 CMTKLYDJAMKXDR-GSRZOBFVSA-N 464.562 4.448 10 10 JICE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(Cl)ccc1O 16922618 KCXHFSXTOMQNJZ-CHHVJCJISA-N 470.906 4.487 10 10 JICE COc1ccc(NC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 96456920 DPGYKIDKNIZLCU-XNMGPUDCSA-N 473.573 4.219 10 10 JICE O=C(O)CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)SC1=S 210602446 GQRZNGFIQPSPHT-MUUZYNTISA-N 457.529 4.355 10 10 JICE C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 248260976 QMVVZORBGKWGLW-HCBGRYSISA-N 461.606 4.174 10 10 JICE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)=O)CC1 1705940926 TXECTYBIIHCZCD-UHFFFAOYSA-N 478.666 4.330 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCOc1ccc(Cl)cc1 1860344766 FDKDDQCVUURBOM-UHFFFAOYSA-N 498.970 4.423 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN(C(=O)c4ccc5[nH]ccc5c4)C3)cccc21 1874017415 PRVHJSQBUQCSKG-IBGZPJMESA-N 477.520 4.434 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccco3)ncnc21 1875205658 SCMGRWDHQPIBDN-UHFFFAOYSA-N 474.565 4.017 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(I)ccc2O)C1 1952447375 FQVXZMVFGZSKJE-YOEHRIQHSA-N 481.286 4.171 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=O)N=C2S1 2293355665 LZQUEBHXYOMPII-UHFFFAOYSA-N 480.546 4.191 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296546111 NUVGZZSFJUSOFV-MRXNPFEDSA-N 474.652 4.230 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 2313543577 OKZKPKZNNUZGEI-UHFFFAOYSA-N 477.904 4.421 10 10 JICE CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1 33333128 HXMVAOBETLEZFA-CPNJWEJPSA-N 462.527 4.444 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33861227 AEKFCIVIJQKSEQ-AZGFIHASSA-N 494.642 4.231 10 10 JICE CCSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(CC)CC)cc1OC)N(C(C)=O)c1ccccc1-2 261365485 SRQJNPLLXZYDEU-DEOSSOPVSA-O 480.614 4.017 10 10 JICE CC[C@H](C)[C@@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606671943 GIMAHZLTMPHYGX-SYEURLQASA-N 454.573 4.322 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1 1861939874 BGODEFDMBNPQAT-NDEPHWFRSA-N 485.628 4.013 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCCc3ccccc32)n1 1867956315 ZNYKARSBDXDVEK-UHFFFAOYSA-N 459.594 4.085 10 10 JICE CC[C@H](C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(Cl)cc1 1868835755 VJOUWRPVLSOAPT-BJKOFHAPSA-N 472.029 4.332 10 10 JICE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881512365 MVHPIBXSHULIFL-PZJWPPBQSA-N 464.651 4.416 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080032842 HSWGYLQXQCMDMZ-CQSZACIVSA-N 493.267 4.317 10 10 JICE COC1(CCNCc2cc(Cl)cc(Br)c2O)CN(C(=O)OCc2ccccc2)C1 2111370569 RGFWRVVSOZCNEZ-UHFFFAOYSA-N 483.790 4.325 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 2294229120 WOAMSQSMAVGJQT-UHFFFAOYSA-N 473.554 4.186 10 10 JICE Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 2294229316 JQBKNWVNYJWGIS-UHFFFAOYSA-N 451.435 4.134 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296710710 SNIYLWDZPDOHMP-UHFFFAOYSA-N 465.600 4.270 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296932910 VDIUBQKNWNBVBW-UHFFFAOYSA-N 498.314 4.449 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br 2313547801 CFIWARKGJSMCGI-UHFFFAOYSA-N 493.361 4.286 10 10 JICE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 2313682442 CKZFPTQRMHDOEB-UHFFFAOYSA-N 479.581 4.414 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2314413968 MIBITAXKRWCAGP-UHFFFAOYSA-N 450.589 4.145 10 10 JICE CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 2314764941 PUFNVPJYYYFGDB-UHFFFAOYSA-N 463.378 4.394 10 10 JICE CCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 2323812654 PQKJNGZRVFLQJR-KRWDZBQOSA-N 473.572 4.087 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 33473055 LZJIZDZPFFUMPT-XSFVSMFZSA-N 494.617 4.471 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2c1 38732821 CNONGLIWLCJPCF-NDENLUEZSA-N 468.648 4.102 10 10 JICE CC(=O)c1ccc(NC(=O)/C=C(/C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 71538359 PMENBFRIRDIYOF-PFONDFGASA-N 452.466 4.188 10 10 JICE COc1ccc(N2CCN(C(=O)NCc3ccc(Cn4cnc5ccccc54)cc3)CC2)cc1 109477580 JLADWDIHDPELAG-UHFFFAOYSA-N 455.562 4.125 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3nc(-c4ccc(C)s4)ccc3=O)c2C)cc1 109632052 OVQXCSJIRKGYGJ-UHFFFAOYSA-N 461.543 4.357 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226836306 BGQRYFBYZAALOY-IMWIBFENSA-N 450.539 4.199 10 10 JICE Cc1cc(CCNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 746426163 NMEVCEIWCGXRQH-UHFFFAOYSA-N 476.562 4.255 10 10 JICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1 1084489501 FHYAGCZQOPLBSJ-MHZLTWQESA-N 463.606 4.385 10 10 JICE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)CCCN2C 1705612626 KUIWMFPTUFRRKC-UHFFFAOYSA-N 492.668 4.283 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008609 ODVWUURJXPQBMK-XMMPIXPASA-N 488.588 4.103 10 10 JICE CCCC[C@@H](NC(=O)C[C@@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867254906 VGZBODNMUFOACZ-HTAPYJJXSA-N 462.546 4.035 10 10 JICE CN(CCCNCc1cc(Cl)cc(Br)c1O)CCCNC(=O)OC(C)(C)C 1963351541 XBRHUGPTZOYVHH-UHFFFAOYSA-N 464.832 4.134 10 10 JICE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079125330 QIKWLNXFRIYLOO-MRXNPFEDSA-N 456.324 4.486 10 10 JICE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106810646 VDODTLHPWVPHOS-KRWDZBQOSA-N 460.619 4.255 10 10 JICE CC[C@H]1CCCCN1C(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296881359 CXZRJNJLQGTPIM-INIZCTEOSA-N 478.636 4.095 10 10 JICE CCOc1cc(Br)cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)c1O 2297349686 HWNSOQAKZCKYHI-UHFFFAOYSA-N 451.367 4.350 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297358348 VOVAWPCRSPAKQD-UHFFFAOYSA-N 496.273 4.279 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2313561233 ZUWYQBCXWHXDQV-UHFFFAOYSA-N 482.246 4.284 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=S 2314767442 GUNXDDIMKJKWAF-GOSISDBHSA-N 452.557 4.213 10 10 JICE CCSCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 23334912 BFENFMUBSYDNNN-UHFFFAOYSA-N 450.608 4.053 10 10 JICE CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 33568178 QXERGBHHANKURF-MOSHPQCFSA-N 486.596 4.399 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812217 GIOVENRXZAQXEQ-YXWLDFQMSA-N 482.631 4.042 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 38619696 DLPVPLPQUOXPLB-VWLOTQADSA-N 490.604 4.030 10 10 JICE COc1ccc(Br)cc1S(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726603724 MATZRFYZHZDDJT-UHFFFAOYSA-N 491.354 4.006 10 10 JICE CCN(CC)c1ccc(CN(C)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727299227 JACLRPRNAWQIIK-UHFFFAOYSA-N 450.627 4.455 10 10 JICE CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 1083973888 ZQJBBAARVPJRKY-AQTBWJFISA-N 473.323 4.303 10 10 JICE COC(=O)[C@H](c1ccccc1)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827215 VBKWMGIERSZGQY-FGGAIWKESA-N 494.594 4.470 10 10 JICE CC[C@](C)(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862281365 PATMAERUPLOSPU-MHZLTWQESA-N 451.611 4.240 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019352 JISWLCZVXQKMSA-JOCHJYFZSA-N 476.577 4.011 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873165502 LOGYJVPMKHQRSH-UHFFFAOYSA-N 491.035 4.221 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2293163881 HTEHMKVROSVSIK-UHFFFAOYSA-N 463.471 4.169 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 2293338417 PNZQPEAAFGAUMV-UHFFFAOYSA-N 462.409 4.305 10 10 JICE CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 2296939521 OKRFMXLVOAFMMZ-UHFFFAOYSA-N 468.351 4.278 10 10 JICE COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 2297328226 WPAPPOBTXZYMKB-UHFFFAOYSA-N 465.756 4.251 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=N)N12 2297345008 GJDCOVKRYKZMHT-UHFFFAOYSA-N 492.991 4.047 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297499441 FFSJHADXNCZCRP-UHFFFAOYSA-N 484.497 4.236 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 2314650350 BASXOQFUMSOAAU-AWEZNQCLSA-N 463.558 4.052 10 10 JICE CCCCOC(=O)CN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314740584 KWMSGUWTDZGJQK-UHFFFAOYSA-N 474.398 4.098 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15046958 UFCINNXCQILSGR-FFCYNSPCSA-N 463.378 4.383 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33453569 LMJBXGBGILHEHO-UOEVCUDDSA-N 466.632 4.374 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 34377803 RDEDFGIRFKIKFN-OBGWFSINSA-N 472.636 4.067 10 10 JICE CCOCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 38732307 HBZWMDCXRIPZRZ-HKWRFOASSA-N 457.621 4.008 10 10 JICE COc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)cc1Cl 65330183 REVGSCRKHPIBLL-LJQANCHMSA-N 458.971 4.029 10 10 JICE O=C(O)COc1nc(Nc2ccccc2C(=O)c2ccccc2)nc2c1CN(Cc1ccccc1)CC2 73700860 ZFRYGWWSEDQCMC-UHFFFAOYSA-N 494.551 4.473 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 103040692 HXUYEWSCQIMVJM-LDADJPATSA-N 454.504 4.162 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2c(O)ccc4ccccc24)N3)CC1 226896087 MOHOTXYWGGLLKK-VHSZZVNMSA-N 475.614 4.308 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 504485022 DLFULURRXRHXMS-OSSDZZHWSA-N 482.511 4.397 10 10 JICE biogenic CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3C(=O)c3cc(C)ccc3C)c2)CC1 1567652885 VQFZROIJRRAHAC-UHFFFAOYSA-N 455.558 4.455 10 10 JICE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)OCC)CC1 1705827155 WKAYTWHWCXRRQP-UHFFFAOYSA-N 492.624 4.224 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679666 YZXHNZBXAHPITQ-DEDYPNTBSA-N 457.442 4.209 10 10 JICE CC[C@@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867269458 ZOTCKWKZCJQALP-GOSISDBHSA-N 469.522 4.219 10 10 JICE CC[C@](C)(NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868751620 RLPDQJPFJVZGOP-GHZVVNKJSA-N 470.013 4.386 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCN(C)C)C2=O)cc1 1873167983 FKHLMKUZNIEZHU-OAQYLSRUSA-N 456.590 4.086 10 10 JICE CCCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169551 PCOXLIQLLPLCLH-UHFFFAOYSA-N 467.573 4.293 10 10 JICE CN(C)Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1O 1952950653 MODWLWMPGBCBLB-CUBQBAPOSA-N 472.541 4.292 10 10 JICE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14470761 XUTQEYGCSFHVTE-JKSBSHDWSA-N 475.954 4.096 10 10 JICE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 33478711 YMUICFXRIMGSBJ-WMZHIEFXSA-N 472.651 4.033 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc(I)c1O 34234787 QQPDORVCJSPURI-POHAHGRESA-N 498.660 4.166 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1 206834826 VBKCVZBGBAFWNR-XSFVSMFZSA-N 457.573 4.429 10 10 JICE C[C@@H]1CN(c2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 747390083 FHVLGNHDGBSGLG-HZPDHXFCSA-N 485.496 4.236 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C(C)=O)cc4)n4ccccc34)CC2)cc1 1858352784 FLLDYXCKVJJXRL-UHFFFAOYSA-N 454.530 4.175 10 10 JICE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858594341 VOFKPSJXCGCMGR-BMANGOCTSA-N 466.353 4.485 10 10 JICE CC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867811990 SHUTZXWLQLEJAS-VXKWHMMOSA-N 490.570 4.022 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOc5ccccc54)nc(-c4cccnc4)n3)CC2)cc1 1868004356 VYCYENQMRZCGTC-UHFFFAOYSA-N 480.572 4.404 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CCOc4ccccc4)c3)CC2)cc1 1874725945 WFRZYNFNFHYCAO-UHFFFAOYSA-N 487.600 4.498 10 10 JICE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1cc(Cl)cc(Br)c1O 2146729888 YCYFTEWCCKWPBV-HZPDHXFCSA-N 463.800 4.312 10 10 JICE COc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2294259064 FXWBWWZNMNDZAV-UHFFFAOYSA-N 467.344 4.442 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352603 FYMQTYVQFLDFNA-UHFFFAOYSA-N 489.557 4.057 10 10 JICE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 2297352648 JAWCXEPMTALJIX-UHFFFAOYSA-N 462.579 4.165 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837443 SHJSQIQIQAULAR-NSHDSACASA-N 491.388 4.376 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)cc2)o1 2314913627 IFEYVMYGSQYROC-UHFFFAOYSA-N 464.572 4.199 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S 2326945305 PIBRRDKYATZMTH-UHFFFAOYSA-N 485.631 4.110 10 10 JICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15048042 IBUYAQXITAGGPI-LSVCFVEQSA-N 462.637 4.335 10 10 JICE COc1cc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(N2CCOCC2)cc1OC 20496366 GPSYPMIXXCAQAZ-UHFFFAOYSA-N 467.478 4.269 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40928387 JOUFWNHILCWIFD-MSUUIHNZSA-N 497.436 4.120 10 10 JICE CN1CCCc2cc(CNC(=O)c3ccc(CN4CC=C(c5ccc(F)cc5)CC4)[nH]c3=O)ccc21 64066806 MFUJJGGQUUYXLR-UHFFFAOYSA-N 486.591 4.116 10 10 JICE COCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 90556079 BXLFCJDSRUAXFX-UHFFFAOYSA-N 452.532 4.084 10 10 JICE C[C@@H]1CN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586716892 GUGDMNQSOFCIMN-IAGOWNOFSA-N 483.524 4.355 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](/C=C\c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 1084113196 GOJDSTQWDOJIIA-ATDLLRNZSA-N 463.489 4.031 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(C)ccc4OC)n4ccccc34)CC2)cc1 1858347245 XCZAQYQITZNLJP-UHFFFAOYSA-N 456.546 4.289 10 10 JICE COc1ccc(CCNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347577 ZDLJKWMTBKPWBH-GDLZYMKVSA-N 494.595 4.156 10 10 JICE CC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868688643 HHBHEZLMELHVBT-RRPNLBNLSA-N 477.649 4.439 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868704373 HSSBOORMSQSVOT-YADARESESA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](Oc5ccccc5)C4)nc(C)n3)CC2)cc1 1869303954 IOEUSNAOCINSTN-RUZDIDTESA-N 459.594 4.168 10 10 JICE Cc1ccc(O)c(N=c2nc(N3CCc4ccccc4C3)[nH]c(N3CCc4ccccc4C3)n2)c1 1871731473 FRTXZXNUKZBTID-UHFFFAOYSA-N 464.573 4.177 10 10 JICE COCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420419 LSSJOIKJBGJRNK-UHFFFAOYSA-N 457.530 4.135 10 10 JICE CC(C)COc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2040491330 XFSIKQIFWIMCIT-UHFFFAOYSA-N 484.599 4.081 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079852851 BGAPCHFFSLOLFP-INIZCTEOSA-N 457.356 4.204 10 10 JICE COc1ccc(O)c([C@@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2140776293 IQPUTIYSZDQEJK-MRXNPFEDSA-N 467.607 4.250 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2294134096 SFWMMANLRWRKMN-UHFFFAOYSA-N 487.468 4.157 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 2294134274 YWZMKMVFPOMIIB-UHFFFAOYSA-N 451.822 4.483 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)N(CC(=O)OC)C2=S)cc1 2297559784 IOGWBLKRWNEBKJ-UHFFFAOYSA-N 479.602 4.142 10 10 JICE C[C@H](NC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15038828 JLHKWQYPYBKZGR-DABDWFRDSA-N 464.568 4.174 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39989666 HEEWVBPWYUUUPE-BKUYFWCQSA-N 494.642 4.059 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413172 OOWUMMGRQLBQAA-MOPGFXCFSA-N 456.955 4.030 10 10 JICE CCOC(=O)c1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 206262998 FQEHGGVACAPYCQ-WOJGMQOQSA-N 459.545 4.295 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O 1084658065 IUEJHBHRHVFKED-HAHDFKILSA-N 459.502 4.377 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3)n2CCCSc2nccs2)CC1 1508176654 VMNHZDRBVNVXRN-UHFFFAOYSA-N 456.641 4.031 10 10 JICE CCS(=O)(=O)c1ccc(O)c(N=c2cc(C)c3c(C)nn(-c4ccc(Cl)cc4)c3[nH]2)c1 1859832224 HZSNJALZKZXPCO-UHFFFAOYSA-N 456.955 4.355 10 10 JICE CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217608 ILTCKKUPVJRARZ-NTKDMRAZSA-N 488.028 4.140 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Cl)c(Cl)c3)CC2)cc1 1873533122 URRACEKLOXBDPA-UHFFFAOYSA-N 482.371 4.423 10 10 JICE CN(C)c1ccc([C@@](C)(O)[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2058200437 WDDBXMPLWVFSTR-VSGBNLITSA-N 474.557 4.342 10 10 JICE COc1cccc(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c1O 2079713087 UWXAJDAJVGPXLM-UHFFFAOYSA-N 452.214 4.321 10 10 JICE CCOc1cccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2140602764 OBGMMLXAGKBDPO-JOCHJYFZSA-N 455.599 4.002 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1cccc(Br)c1 2293245277 UETYANIPUIFCRE-UHFFFAOYSA-N 450.335 4.166 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)C 2294094859 ASQXBGSLDJXTNW-UHFFFAOYSA-N 473.323 4.220 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294095283 NOFNCPBHNIIOQB-UHFFFAOYSA-N 481.258 4.074 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)CC1 2296716173 BXVOKGOORGAPMM-UHFFFAOYSA-N 490.654 4.375 10 10 JICE CN1C(=O)C(=Cc2cccc(OC(=O)c3ccccc3I)c2)SC1=S 2297297215 NUFJFMHZVVPEJJ-UHFFFAOYSA-N 481.336 4.341 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 2297316523 YGQSUWHXWGPSIS-LJQANCHMSA-N 452.601 4.303 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1 2297347609 NBWFCDCMZVBHHX-UHFFFAOYSA-N 453.882 4.257 10 10 JICE CCC[C@@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330101637 AEMZKSRDMPSILD-XMMPIXPASA-N 470.013 4.386 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2823564 KDXNMWSVYNWESV-WCSCHVOISA-N 450.423 4.149 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=S)cc1 6645123 GBEDNGHFDJWHIQ-CXUHLZMHSA-N 483.352 4.407 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)c4ccc(Cl)cc4)o3)CC2)cc1 9693869 SVJDALCGOZEFIS-HKBQPEDESA-N 458.967 4.212 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33330363 GWQJAUQKXHYYOU-CIAFOILYSA-N 499.454 4.137 10 10 JICE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 33456921 CCNRDLRWIRKNLU-YBFFCPCVSA-N 474.420 4.096 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c1 526159619 YUAHGVKLHVUPPL-DEOSSOPVSA-N 461.470 4.325 10 10 JICE Brc1c[nH]c(-c2nnc(N3CC=CCC3)n2CCCSc2nccs2)c1 1286270511 KXUIDTJRUQUODE-UHFFFAOYSA-N 451.419 4.441 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1722757064 YQWFWCMPZJFTCT-DEOSSOPVSA-N 480.701 4.456 10 10 JICE CN(C)c1ccc(/C=c2\sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1 1860791039 ROTSVNSUIUDBFX-ULJHMMPZSA-N 452.583 4.139 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865035316 QOZLRDOCLLUFCO-NRFANRHFSA-N 470.614 4.390 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CCC2 1866279493 XFFGDADAAYGTLE-MRXNPFEDSA-N 467.591 4.005 10 10 JICE CC[C@@H](C(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(Cl)cc1 1868835757 VJOUWRPVLSOAPT-RPWUZVMVSA-N 472.029 4.332 10 10 JICE CCN(CC)CCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166656 VEIYVTLKKKTPLR-VWLOTQADSA-N 492.664 4.065 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427222 HSUUUDBUBUPRCZ-UHFFFAOYSA-N 484.600 4.389 10 10 JICE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875201258 KNJTXHHNCHMPEW-UHFFFAOYSA-N 450.587 4.024 10 10 JICE CCCCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892095039 PFKRUTGNBLMNON-REWPJTCUSA-N 455.624 4.026 10 10 JICE Cc1cc(C=C2SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 2293850323 UGSJJPVTQISIMX-UHFFFAOYSA-N 475.526 4.498 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N([C@@H](C)C(=O)OCC)C3=O)c2C)cc1 2294010693 DXGNJLWBARGBEA-INIZCTEOSA-N 470.547 4.259 10 10 JICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2296295078 JODIXHFLOIJLQL-UHFFFAOYSA-N 469.497 4.365 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3F)nc12 2314508398 POQJNSVDPVLNJW-HNNXBMFYSA-N 497.573 4.315 10 10 JICE CC[C@@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330537070 BFDNRZWUQJRKOD-JOCHJYFZSA-N 476.404 4.259 10 10 JICE COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2155935 MWQNMRAKXGFYHQ-SDHSZQHLSA-N 465.505 4.302 10 10 JICE biogenic O=c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(O)c(O)cc2o1 3329473 GWJRDUKKTJZBLD-UHFFFAOYSA-N 458.495 4.255 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 33417590 HUAOBUXWNGYADN-FOWTUZBSSA-N 476.649 4.365 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc1C(=O)O 33456159 DSRVKNPGJKZGQZ-KGENOOAVSA-N 472.453 4.479 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)C3(c4ccccc4)CCOCC3)c3ccco3)CC2)cc1 38598239 XGCWRKOGROJCBC-SANMLTNESA-N 489.616 4.016 10 10 JICE CCN(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)c1 110163605 CUSYKVAGBCZYDG-UHFFFAOYSA-N 458.628 4.026 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 1858592859 ZSULEWUMBKEOAH-BMANGOCTSA-N 453.463 4.308 10 10 JICE CCCN(CCC)C(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826568 HXPCBSHNOIXWMJ-XSFVSMFZSA-N 487.647 4.356 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009893 MVHHAFHLYMYFKS-IQMFZBJNSA-N 476.577 4.147 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864012279 WSDWWXPAWUWOHX-QHCPKHFHSA-N 494.567 4.181 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864021287 OUSVFBBRJUQZGY-JHXQMKRWSA-N 492.620 4.046 10 10 JICE CC[C@](C)(NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826764 HFOAGYPEPBGZHF-NAKRPHOHSA-N 464.654 4.303 10 10 JICE CCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870453162 HNWRDRPOEMNTNL-UHFFFAOYSA-N 499.652 4.091 10 10 JICE CCc1ccc(Nc2nc(=NCc3ccco3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585687 MMDVKINOCIKWSF-UHFFFAOYSA-N 485.592 4.140 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427232 IJYQQFICMZHEBW-UHFFFAOYSA-N 494.599 4.257 10 10 JICE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)CC(F)(F)F 2136262345 SXKBVHIDUIRMFG-KRWDZBQOSA-N 468.472 4.125 10 10 JICE O=C(Cn1cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)N1CCCC1 2293823863 KVANPTAOTJGMNO-UHFFFAOYSA-N 462.600 4.060 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 2297511539 HAUDUWDZFXGUFR-UHFFFAOYSA-N 478.888 4.087 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 13638737 CHUYJGCQJNFOKE-JQVVWYNYSA-N 475.408 4.297 10 10 JICE COc1cc(C(=O)Nc2cccc(N3CCn4c(nc5ccccc54)C3)c2)cc(OC)c1OC 19855284 JTNFHVNQPUQJOQ-UHFFFAOYSA-N 458.518 4.335 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(Cl)cc1OC 20287694 SJFIGCKVZOYZQX-LPYMAVHISA-N 473.913 4.018 10 10 JICE CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 33173662 HCRNEZRMKQJAHO-UHFFFAOYSA-N 495.523 4.442 10 10 JICE CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1Br 33436638 SPJHNOVWWDXISM-ZROIWOOFSA-N 460.240 4.263 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 40324262 OOYUTHOSQPVQOY-PDGQHHTCSA-N 455.586 4.311 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 100276277 JDVVFCSBUBKTDF-FSTGKYBXSA-N 462.546 4.024 10 10 JICE Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)c(C)n1-c1ccc(F)cc1 104418730 SOXIHUINCJYERO-PCNTZYQVSA-N 490.560 4.102 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526527905 RIUIECDLQQSFPG-QHCPKHFHSA-N 461.470 4.340 10 10 JICE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 1083983377 ZSHWMNSSBRARSP-UNOMPAQXSA-N 491.544 4.160 10 10 JICE CC[C@@](C)(NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862103051 TZSJRVNWQROABY-MUUNZHRXSA-N 491.636 4.116 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(-n4cccc4)cc3)c3ccccc3)CC2)cc1 1862264558 QNPAFRVWJGWTHN-NDEPHWFRSA-N 494.595 4.306 10 10 JICE COC(=O)c1c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1866017542 IWVZQVALMLQHQM-KRWDZBQOSA-N 489.391 4.487 10 10 JICE CC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866838917 CZZJUBJNCQEMIF-OPAMFIHVSA-N 472.516 4.313 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccccc4)on3)c3ccccc3)CC2)cc1 1868754286 VIVLQANBTBFFQQ-HHHXNRCGSA-N 496.567 4.170 10 10 JICE CCN(CC)CCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164190 QCJDMOJLKROBTD-UHFFFAOYSA-N 485.632 4.091 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873165823 SYFSNRPEZMQVTK-JOCHJYFZSA-N 470.617 4.477 10 10 JICE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421074 FNIBPDGIEOLDHI-UHFFFAOYSA-N 487.560 4.064 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)cccc21 1874017741 UVNRSEMSRHBMBK-AWEZNQCLSA-N 478.426 4.472 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080004906 BAJYQSFFXBNWQR-QGZVFWFLSA-N 482.318 4.255 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)ccc1Br 2294093797 QPPAJVAQIURVFX-UHFFFAOYSA-N 470.106 4.436 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC 2297334648 BHOCRGCSSUNEQU-UHFFFAOYSA-N 451.331 4.232 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCc3nc4ccccc4s3)C2=O)cc1 2314913644 KZZRSHVXVDAVGO-UHFFFAOYSA-N 469.613 4.213 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1 20236827 GMHDMJRFZYGODT-GUOILJMFSA-N 498.333 4.366 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 20289447 AXZPGDFBCOMVOG-UQBPGWFLSA-N 495.645 4.456 10 10 JICE Cc1cccc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 20356394 ZTTHRZQBTWMUPY-YKYBXDQRSA-N 476.606 4.247 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCCCC3)nc12 33781103 VBMTVLYUTQOTBB-JXAWBTAJSA-N 454.621 4.137 10 10 JICE CCOc1ccc(Nc2oc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)nc2C#N)cc1 33897974 PPOUIZADNUDLRD-DISPHTKASA-N 456.549 4.069 10 10 JICE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 40888739 GUKWADACQZDNTQ-PGMHBOJBSA-N 471.600 4.471 10 10 JICE O=C1c2cccc(Br)c2C(=O)c2c(O)c(Br)c(Br)c(O)c21 141069021 AHYMUFORCQYZKK-UHFFFAOYSA-N 476.902 4.161 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1 210752561 HZEFUKNEEAAQPN-KNTRCKAVSA-N 478.636 4.218 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633924 WWLXWFOPRPUMBK-QHCPKHFHSA-N 463.486 4.489 10 10 JICE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 792103000 VUPYIUQPUOQXEA-XMMPIXPASA-N 488.540 4.085 10 10 JICE CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1660573232 GULSITDGXBBQIY-HNNXBMFYSA-N 458.914 4.091 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 1860761168 OMJUTGBZOPDLDT-UHFFFAOYSA-N 466.559 4.125 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864011405 UGJJLACIESRJPC-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867407221 SQZZLNQWPJSYOF-BJKOFHAPSA-N 471.045 4.258 10 10 JICE CC[C@](C)(NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679335 UOAQJXWELDDSQP-BCHFMIIMSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC[C@H](C)C5)ncnc4n3CC(C)C)CC2)cc1 1873550468 GXQKSIUBDPKUOY-NRFANRHFSA-N 490.652 4.295 10 10 JICE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881512366 MVHPIBXSHULIFL-TZIWHRDSSA-N 464.651 4.416 10 10 JICE COc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 2297344936 WHRZBHGUYRMBDK-UHFFFAOYSA-N 467.772 4.378 10 10 JICE CC[C@@](C)(NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330399555 BBJFQEIRWCXXKJ-MUUNZHRXSA-N 463.622 4.466 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15040489 LBVSXGFFICSNLB-SSZFMOIBSA-N 499.452 4.192 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O 33337924 LNRYXCBNAUDZPO-BNCCVWRVSA-N 466.334 4.298 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)CC(C)(C)C 35962108 AGNXYGFPLYIMAO-JOCHJYFZSA-N 473.017 4.267 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)c3ccco3)CC2)cc1 38619354 RBHZWHGVJNEEDS-RUZDIDTESA-N 497.661 4.364 10 10 JICE CCO[C@H]1[C@@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(OC)ccc1O)CC2 207824400 GGMBAHBKNCAUNV-UIOOFZCWSA-N 476.573 4.417 10 10 JICE COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)ccc21 519504325 KKXNSUUTOAJOCC-NRFANRHFSA-N 470.591 4.110 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526526274 MAXQCDJRCHXCJM-XMMPIXPASA-N 491.496 4.349 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1O 1307774847 UCFZDTRQKOZGMX-CTNGQTDRSA-N 452.979 4.142 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864018041 BEYMNQWXPGDPLG-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CC[C@@](C)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867667148 CDIURNBMYIGSID-GGXMVOPNSA-N 489.664 4.476 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873165943 XNKVQVNYJVIFME-CYFREDJKSA-N 462.638 4.294 10 10 JICE CCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179268 VTTCEQDGXMAPSO-JOCHJYFZSA-N 465.509 4.481 10 10 JICE COc1ccc([C@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079843393 GSLSVIFNVBIXJW-KRWDZBQOSA-N 469.367 4.348 10 10 JICE CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106777144 PTKORQCJYOZHCV-NRFANRHFSA-N 463.619 4.156 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163162752 MCJLMGPHLPBZOD-SANMLTNESA-N 472.630 4.399 10 10 JICE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2293783513 DQGPGSSOWNFRIB-UHFFFAOYSA-N 474.292 4.047 10 10 JICE COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 2294216528 VQUDAFUTKPPXFG-UHFFFAOYSA-N 495.782 4.259 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc(OCc2ccccc2F)c1 2294216907 OKJJCEOHEGOGFO-UHFFFAOYSA-N 450.466 4.375 10 10 JICE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)cc1 2296848616 LVOITJLXENTALY-UHFFFAOYSA-N 491.550 4.490 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCc3ccccc3)C2=O)ccc1OCC(=O)O 2297361271 JGOFBDVZVBKOJS-UHFFFAOYSA-N 457.573 4.383 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(Br)o3)C(=O)NC2=S)c1C 2313556574 DREAKYDWVGATCA-UHFFFAOYSA-N 484.169 4.253 10 10 JICE Cc1ccccc1C1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 32964261 VUVZWOOZLFMEIU-HRGNJQJKSA-N 456.487 4.361 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C)c1 207314782 ZSWXMHCTWWHJCT-LICLKQGHSA-N 484.534 4.033 10 10 JICE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@H]3c3ccc(O)c(O)c3)cc2)CC1 526604077 QEFRNWBZEKRTJM-AREMUKBSSA-N 489.547 4.042 10 10 JICE CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606672000 JXIKKORIONZLLT-IZILLXMLSA-N 454.573 4.322 10 10 JICE CCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858849799 BLTAKEMGFJESPD-OAHLLOKOSA-N 473.485 4.222 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1 1865025890 FANWNXCYEJRORL-OKTISSRRSA-N 480.609 4.135 10 10 JICE CCCC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868940129 DAQLLVKZWKHNNF-HFZDXXHNSA-N 481.637 4.221 10 10 JICE CCOc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870365989 AUUYEEGHDJSURV-UHFFFAOYSA-N 451.611 4.468 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124510860 BYXRLDBFNFCWBK-HXUWFJFHSA-N 456.591 4.095 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccnc1 2294235357 GAFZRADZSROXCN-UHFFFAOYSA-N 481.375 4.083 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2297577609 DQHLLLONJMWROE-UHFFFAOYSA-N 487.599 4.103 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1cccc(I)c1 2313548359 TYQGWKPTBQKHBE-UHFFFAOYSA-N 468.250 4.111 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)ccc1Br 2313630048 BMTSRJNKURULKP-GOSISDBHSA-N 486.366 4.021 10 10 JICE CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1 2314828670 VEENXHMYTOZNCQ-UHFFFAOYSA-N 462.637 4.337 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314831807 SJZNTSPNXMFRQW-UHFFFAOYSA-N 488.587 4.038 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2314836325 CYKDCMAWSDSXJW-AWEZNQCLSA-N 470.572 4.100 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934458 ZYMKYKLQPRNFIE-ZDUSSCGKSA-N 457.529 4.156 10 10 JICE Cc1ccc(CNC(=O)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380740779 ZOUYMMRPXKMKHM-GOSISDBHSA-N 451.308 4.018 10 10 JICE Cc1ccc(CCNC(=O)c2cnn3c(O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1 3025843 BDGODSIAULTMPO-UHFFFAOYSA-N 452.917 4.408 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781529 KTXBBWXLGARFMD-WQRHYEAKSA-N 468.579 4.365 10 10 JICE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccc(O)c(C(=O)O)c1 35549383 MWGGTVJVSIJDMI-UHFFFAOYSA-N 469.291 4.135 10 10 JICE O=C(NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S)c1ccccc1Cl 40846766 WWZXGFHZULZABP-XFFZJAGNSA-N 490.731 4.084 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O 97464736 BSTGFBNJXBJKRK-HMMYKYKNSA-N 494.642 4.277 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210699911 BTNPBOOIHBRZIO-CPNJWEJPSA-N 488.587 4.038 10 10 JICE CCCC[C@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862206796 HWMZHAXYFAEAGO-SANMLTNESA-N 495.664 4.495 10 10 JICE CCCCCCOc1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(=O)c2c1 1866527134 QFUQARNBEJLRPB-UHFFFAOYSA-N 463.578 4.458 10 10 JICE COC(=O)c1c(C2CCC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2079986820 QWYLYVFGNHRXBJ-GFCCVEGCSA-N 454.308 4.474 10 10 JICE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1 2294094877 BOWUNTUMNPGHIU-UHFFFAOYSA-N 480.860 4.363 10 10 JICE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 2313558436 AMQLWPZTPJIGQG-UHFFFAOYSA-N 493.354 4.217 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCC(=O)O 2314931891 IYDDAFPUHFJOIF-UHFFFAOYSA-N 457.529 4.157 10 10 JICE Nc1cc(N)c(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1/N=N/c1ccc(S(=O)(=O)O)cc1 31308681 GWLYOHIRRYBWCA-MBALSZOMSA-N 476.496 4.175 10 10 JICE CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(C(=O)O)c2)cc1 33253116 IDGKAQHUDVANJH-UHFFFAOYSA-N 495.601 4.083 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)cc2)o1 40324024 JKCBWTQZDMKTRH-ATVHPVEESA-N 470.601 4.260 10 10 JICE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 95927315 YKFXZYBNYPFRLX-CJLVFECKSA-N 460.559 4.241 10 10 JICE COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)N2CCCCC2)cc1 205608222 WKZPEEKFINBYHB-MWLMUJSGSA-N 495.670 4.240 10 10 JICE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccnc(Cl)c1 1860571349 HQXZUTICZFCIAI-UHFFFAOYSA-N 482.883 4.410 10 10 JICE CCCOC(=O)c1cccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c1 1860721278 MTJXNIRVKKZAAN-UHFFFAOYSA-N 455.736 4.103 10 10 JICE CCS(=O)(=O)c1ccc(Cl)cc1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1861849370 OMNKRPJPUNXZMK-UHFFFAOYSA-N 467.930 4.090 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864018716 AYQXYUZBZFDLGX-HSZRJFAPSA-N 490.604 4.296 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019968 SLAZUFYIXHPIGN-XCLFUZPHSA-N 482.968 4.109 10 10 JICE CC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867811988 SHUTZXWLQLEJAS-FCHUYYIVSA-N 490.570 4.022 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)n1 1867952692 ULXGBHLSRNPAID-DFHRPNOPSA-N 479.669 4.406 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](C)c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868680535 ANVNTDZVJZLJIB-UQBPGWFLSA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCOC(C)C)CC2)cc1 1870437255 RLXZBSXMUJIXMR-UHFFFAOYSA-N 471.642 4.029 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CCCSC)cc3)CC2)cc1 1874747612 RGVXLPRBRVAXDW-UHFFFAOYSA-N 456.608 4.139 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 2294229490 ZJGHNZWFRHPWHQ-UHFFFAOYSA-N 483.889 4.348 10 10 JICE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O 2295927459 OVKNOZDHBOYAPQ-UHFFFAOYSA-N 498.102 4.026 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Br)ccc1O 2297322279 ZKKIAWLNFSLQAM-UHFFFAOYSA-N 472.147 4.293 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 2297345149 XAGRADYHPUGKRB-UHFFFAOYSA-N 483.531 4.122 10 10 JICE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 2313621570 UMILWKDKWMXRKH-UHFFFAOYSA-N 453.589 4.117 10 10 JICE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NCCOc3ccccc3OC)C2=O)cc1 20288187 XFWNETFOAUFQAJ-NCELDCMTSA-N 457.530 4.397 10 10 JICE CC(C)Nc1nc(NC(C)C)n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nnc2n1 27300335 QOAUHLLADUHVNB-UHFFFAOYSA-N 469.402 4.198 10 10 JICE O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33400729 XPKXLEFIBHBPKU-AWNIVKPZSA-N 482.293 4.377 10 10 JICE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33480619 AWRMADXHFHKPFG-KXBFYZLASA-N 485.433 4.043 10 10 JICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 36009034 SHCGVMKMOKTLOS-HSZRJFAPSA-N 492.613 4.222 10 10 JICE COc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)cc1Cl 65330184 REVGSCRKHPIBLL-IBGZPJMESA-N 458.971 4.029 10 10 JICE Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N([C@H](C)C45CC6CC(CC(C6)C4)C5)C3=O)c2O)cc1 101112788 JDWDBKNWRAXAFF-GWKQKRROSA-N 488.588 4.261 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC)cc1OC 1857996827 ILRQLXPORJKOEU-UHFFFAOYSA-N 475.498 4.127 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)C(c4ccccc4)c4ccccc4)C3)CC2)cc1 1858369392 MIACPTQNPVGTBO-RUZDIDTESA-N 483.612 4.024 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864008323 IEIQMMGEUJJWCZ-QHCPKHFHSA-N 476.577 4.042 10 10 JICE CCCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665850 OPDRXHAMQXLSDR-HAVVHWLPSA-N 481.568 4.127 10 10 JICE CCNC(=O)COc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870970274 YRXALZBBKUGOCE-UHFFFAOYSA-N 478.593 4.146 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873170573 GCBXZRQNGIGORU-UHFFFAOYSA-N 484.644 4.348 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4ccccc4)cc3)CC2)cc1 1874755624 QAJAAPMNFAAEDN-UHFFFAOYSA-N 473.573 4.108 10 10 JICE CN(C(=O)OCc1ccccc1)C1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 1999550412 DFBLIDSMPVBGTM-UHFFFAOYSA-N 466.582 4.019 10 10 JICE O=C1C[C@@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 2040482249 LLPMSDBNUDPWPG-QGZVFWFLSA-N 467.959 4.355 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2294204819 GMFGZEYLPFIQHC-UHFFFAOYSA-N 453.863 4.340 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1F 2294229489 ZHWWIZZJZGAGFI-UHFFFAOYSA-N 450.466 4.375 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 2296714448 ZHUNROCEGYWSAQ-UHFFFAOYSA-N 489.578 4.345 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 2297342283 GQDXOWRJRFIUBD-UHFFFAOYSA-N 458.470 4.036 10 10 JICE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297352574 CDNUCBFOKOFXAJ-UHFFFAOYSA-N 475.574 4.255 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 8600035 RWXGZBIHZKWNRV-UHFFFAOYSA-N 452.580 4.310 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O 15228468 GXNSHKNNFOEPCC-MHWRWJLKSA-N 479.377 4.100 10 10 JICE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 33436548 HMXYRCKAERNGHO-ORMOWBNMSA-N 480.615 4.105 10 10 JICE Cc1c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(N(C)Cc2ccccc2)n(C)c(=O)c1C#N 33454511 XLOKDVGTNSYHTR-RGVLZGJSSA-N 466.632 4.059 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066493 FELNODZUSUMRIV-ODLFYWEKSA-N 470.595 4.411 10 10 JICE COc1cccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 102470022 ZDFSYOWRFOJQMP-AQCGAIBZSA-N 490.463 4.334 10 10 JICE Cn1ccnc1[C@](O)(CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 105569972 GNTKTXKYIFGSKK-ISKFKSNPSA-N 469.463 4.325 10 10 JICE CCCCOc1ccc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862253576 YZZHPTDRFSUGKW-DEOSSOPVSA-N 497.636 4.130 10 10 JICE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C1CCCCC1)C1CCCCC1)=C(N)O2 1865027912 NMHJNMZQJMLEDA-HSZRJFAPSA-N 480.609 4.328 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970825 QZXVWRAZGKLRMK-OAQYLSRUSA-N 482.588 4.345 10 10 JICE CC(C)COC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870848119 STDCOCCYZRFGCD-FQEVSTJZSA-N 479.577 4.163 10 10 JICE O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017014 LCLLJUGKRNLMPS-UHFFFAOYSA-N 499.542 4.059 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccc(C)c3)ncnc21 1875199721 LUQBIHKRDSYCAK-UHFFFAOYSA-N 484.604 4.343 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](NCc2cc(Br)cc(F)c2O)(C(F)(F)F)C1 2159809417 PHOZYIHWBOWESI-INIZCTEOSA-N 457.262 4.325 10 10 JICE CCN(CC)c1ccc(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1 2287638653 LUBAUVITTRYGQP-UHFFFAOYSA-N 476.662 4.479 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccco1 2297364154 BHQPVAJQBASKOA-UHFFFAOYSA-N 454.323 4.149 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC 2297624381 PIQOYCQEVGDNJV-UHFFFAOYSA-N 495.782 4.341 10 10 JICE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1247083 IQEJDWRNVCDSBC-FMQUCBEESA-N 469.563 4.038 10 10 JICE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=N)N12 20114791 OCVQJVRXKHEICF-QNPDVEALSA-N 454.533 4.465 10 10 JICE CCOC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c2ccccc21 33309228 ITRLDRQUSRUCTC-WQRHYEAKSA-N 465.893 4.360 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(C)n1-c1ccc(F)cc1 62694665 XVUAQNXFWAJVDJ-UHFFFAOYSA-N 455.480 4.152 10 10 JICE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 102916582 LOAWYQVDCGPIFD-BRDBGPSPSA-N 478.574 4.499 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F 103920284 UZZVQQRSUZJRDV-XDHOZWIPSA-N 451.376 4.376 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 210497765 RNEPRBGAJUQCNW-LFIBNONCSA-N 450.488 4.224 10 10 JICE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)c1 1859574330 XBHKCWSWFJYNFL-UHFFFAOYSA-N 487.603 4.191 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861930025 NQIPBLKUPFBUPT-DEOSSOPVSA-N 463.965 4.169 10 10 JICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCOC[C@@H]3C)n2)cc1 1869335502 UVOLVZJCPVBLHT-NRFANRHFSA-N 489.620 4.103 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080033419 KBDVGZVEXFGGHO-KRWDZBQOSA-N 496.345 4.430 10 10 JICE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 2296724880 YWDUOKCZOTXILP-MRXNPFEDSA-N 462.600 4.257 10 10 JICE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2297341204 FYHVKHHVRVXFDH-UHFFFAOYSA-N 477.860 4.494 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 2314508232 OBJAVNPVIWGCOZ-UHFFFAOYSA-N 481.599 4.423 10 10 JICE Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)C1=O 59858714 UBJYXWISGHDAFJ-GZTJUZNOSA-N 490.432 4.121 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413137 PHABCNFONQNESR-OALUTQOASA-N 456.955 4.030 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 210465505 ANXKGDGVXMGQHD-QNGOZBTKSA-N 487.599 4.391 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 253561090 BQUXXQXLZJTAQY-BHDDXSALSA-N 489.886 4.483 10 10 JICE CCOc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC)C3=O)cc2OC)cc1 915838239 AFZFLOVBZVKDDC-DEDYPNTBSA-N 472.588 4.333 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1OC 1084139620 FMNDKKPBOZNHPM-GDNBJRDFSA-N 473.323 4.140 10 10 JICE COC(=O)c1c(NC(=O)CCCN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccccc1 1866217969 KBPPNUPTJWGMMZ-UHFFFAOYSA-N 476.554 4.454 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(Br)cccc3c2=O)N2CCCCC2)cc1 1866457044 FUQUYPGWWUQQEK-JOCHJYFZSA-N 497.437 4.314 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385884 COUSLTIRVZLBRN-LBNVMWSVSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4oc(-c5ccc(C)cc5)nc4c3)CC2)cc1 1868790200 UFDCOTMMETYONQ-FQEVSTJZSA-N 498.583 4.279 10 10 JICE COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C2CC2)cc1 1890883919 WKSBCRIAAZEEOW-DKNHICIASA-N 491.657 4.148 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079853261 DOXOIHAAYBQAAM-GFCCVEGCSA-N 484.212 4.164 10 10 JICE COCCCN1C(=O)C(=Cc2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296715339 PHSRTIKWDYPMME-KRWDZBQOSA-N 494.642 4.414 10 10 JICE O=C1[C@@H]2[C@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 2313626330 REFKVHSIRLCZNS-ZRBLBEILSA-N 483.907 4.376 10 10 JICE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 2314716730 JRUUYKJASDBLQF-UHFFFAOYSA-N 470.572 4.159 10 10 JICE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314837176 PFRRHHXDSYQNQE-NSHDSACASA-N 493.404 4.392 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O)C(C)=O 2314926973 WRBZROZCGCEGLO-QGZVFWFLSA-N 457.529 4.243 10 10 JICE CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 15056171 JHAVRJBRPXWHBA-YVLHZVERSA-N 476.963 4.023 10 10 JICE O=C1/C(=C/c2ccccc2I)SC(=S)N1C(=O)c1ccc(F)cc1 33748062 LDUPPAFTYRUMTH-ZROIWOOFSA-N 469.300 4.472 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066538 WSTIMSJBFKPAPG-ZHZULCJRSA-N 466.632 4.221 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 40888795 HWVBLCAZEVPIBN-UVTDQMKNSA-N 474.398 4.011 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3c(Cl)cc(F)cc3Br)c2)CC1 1128143817 IGTKSFCCUYHNJR-UHFFFAOYSA-N 454.727 4.162 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2)CC1 1625192935 LGPCQVZQTNWIOB-UHFFFAOYSA-N 451.611 4.128 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccn(CC)c1=O 1705479270 KFOQDEBJHKQSQG-IBGZPJMESA-N 454.578 4.040 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858608986 YFKMASRETAMHKP-UHFFFAOYSA-N 478.595 4.435 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862260097 ZLDJMVBLIZYUGM-NRFANRHFSA-N 496.460 4.202 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3)CC2)n1 1867976132 DOGMTHUYUUBOLC-UHFFFAOYSA-N 486.664 4.399 10 10 JICE CCCCCOc1cn(Cc2ccccn2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678844 NMJHXKNMCLLCEU-UHFFFAOYSA-N 476.621 4.191 10 10 JICE COc1cc2nc(N(C)CC(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)sc2cc1OC 1891652006 QNZOGJDIDCRTNP-HKUYNNGSSA-N 466.607 4.055 10 10 JICE O=C(N[C@]1(c2c(O)cccc2[N+](=O)[O-])C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1953017758 QDLIZPWKMGVUCN-KBMIEXCESA-N 460.442 4.139 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O 2294229374 NTDAYASFYOMURL-UHFFFAOYSA-N 472.147 4.293 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2296709433 MYAZBOJRTNQOFJ-UHFFFAOYSA-N 454.577 4.291 10 10 JICE Cc1ccc([C@H](CCNC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c2ccco2)cc1 2296934913 MMAQPGHSTRHRQU-FQEVSTJZSA-N 451.592 4.160 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 2297624936 JAQWYZXFFAQXPG-UHFFFAOYSA-N 486.524 4.123 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314837771 WNMSROCXWAFYOF-CYBMUJFWSA-N 458.536 4.231 10 10 JICE COc1ccc(C=CC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 2328775141 OFGHERDFRZKDMH-UHFFFAOYSA-N 484.600 4.376 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 16216929 DGLURLFBFSYJNJ-ATVHPVEESA-N 478.482 4.491 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Cl)cc3)c3ccc4c(c3)OCO4)CC2)cc1 16953861 JSZJFZNFAGKIDX-XMMPIXPASA-N 493.991 4.371 10 10 JICE O=C(COC(=O)c1cccc(OCc2cscn2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 17738395 QYBZIFBRAPTHNQ-UHFFFAOYSA-N 498.516 4.293 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3cc(O)nc(SCc4cccc(Cl)c4)n3)CC2)cc1 23242758 PSAOSAKTEWCQRH-UHFFFAOYSA-N 485.009 4.028 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 34257503 UQPZIGZCGYEMGX-JZBMNUFDSA-N 450.589 4.479 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3c(C)sc(C)c3-c3onc(C)c3C)CC2)cc1 64845867 FIQMCDALFDTDAX-UHFFFAOYSA-N 461.609 4.156 10 10 JICE COc1ccc(N(C)CN2C(=O)S/C(=C\c3ccc(I)cc3)C2=O)cc1 1084534753 OHCGPJDFPGLEPL-BOPFTXTBSA-N 480.327 4.430 10 10 JICE O=C(Cc1cccs1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860506825 DTQFGFKAKIWFGT-UHFFFAOYSA-N 467.506 4.352 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNCc1ccc(N(CC)CC)cc1 1860709298 PYATYMKYNZRAAL-UHFFFAOYSA-N 498.668 4.285 10 10 JICE CC[C@](C)(NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107385 MUOZVSOEQNBQPD-NDEPHWFRSA-N 491.636 4.017 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079063971 QRHAQYLUWVQJQD-AWEZNQCLSA-N 462.234 4.225 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079875755 YTLAHYKSBMJIJM-CYBMUJFWSA-N 466.222 4.083 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccccc1F 2297364237 HDVLPZDCRXQGLF-UHFFFAOYSA-N 466.852 4.168 10 10 JICE CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(O)nc(O)n(-c2ccc(C)cc2)c1=O 2297456469 JUAQKMVQBFGDJJ-UHFFFAOYSA-N 471.300 4.065 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 2313543799 KGFGJHNIKHNMBI-UHFFFAOYSA-N 475.570 4.251 10 10 JICE CCN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 2313656626 NKAMYUYSFRDVMN-UHFFFAOYSA-N 453.951 4.020 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314760857 LYNFFMUKJOBAOC-UHFFFAOYSA-N 490.647 4.013 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O)C(=O)O 2314933042 RQUNKRIWSIINRC-HNNXBMFYSA-N 476.963 4.128 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533416 OHCXVNJUARZIAZ-VHEBQXMUSA-N 471.991 4.307 10 10 JICE COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 33774980 QFUIIMIXXMJLDL-WQLSENKSSA-N 472.522 4.006 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)sc2c1 39875025 LNLZABKKSWKEFU-PXNMLYILSA-N 459.549 4.284 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c(C)c1 207314556 VSCXYNCNARLFTO-QGOAFFKASA-N 480.571 4.284 10 10 JICE CCCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1862060537 ZVILCJVGNRUHGH-MHZLTWQESA-N 487.600 4.304 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862090600 NCQUGGKGPYVOLU-UHFFFAOYSA-N 497.599 4.096 10 10 JICE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008463 KSGOIQDUJCIPLN-VWLOTQADSA-N 496.567 4.220 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCCCC2)cc1 1867336470 SFOJDQXMEKJFFZ-NDEPHWFRSA-N 484.644 4.493 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1869140801 JELCDWFCWJFGAY-RUZDIDTESA-N 473.621 4.422 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873167422 GTUGETJAPRKPCI-UHFFFAOYSA-N 450.627 4.152 10 10 JICE CSc1cccc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c1 1874179330 YJFPLIDFSUAPPY-OAHLLOKOSA-N 456.523 4.176 10 10 JICE CN(CCN=[N+]=[N-])CC(=O)Nc1c(Br)cc(Br)cc1Br 1912194132 IUPXGTKOBNIPKI-UHFFFAOYSA-N 469.963 4.155 10 10 JICE CN(C)Cc1cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952905646 GPQPBLDNAQMLFU-LBNVMWSVSA-N 472.541 4.087 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccnc1 2294235463 UDKLCDPQEKSSHM-UHFFFAOYSA-N 481.375 4.083 10 10 JICE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 2313621577 VIFJESYOVSHMTJ-UHFFFAOYSA-N 453.589 4.117 10 10 JICE CC(=O)c1ccc(NC(=O)C=C(C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 2320760510 WXQXDLKCUIVPDA-UHFFFAOYSA-N 452.466 4.188 10 10 JICE COc1cc(C=CC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(Br)c1OC 2325387852 JXHALLSQOJIDDQ-JOCHJYFZSA-N 499.409 4.185 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)cc3)ccc21 15962028 FOJJXKWZYROMHF-UHFFFAOYSA-N 452.668 4.299 10 10 JICE COc1cccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 27531718 TYCZMLJTZAMVBD-PXLXIMEGSA-N 464.905 4.268 10 10 JICE COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 37242809 MJBLKYUMNOJEHV-ZNZIZOMTSA-N 495.531 4.310 10 10 JICE biogenic O=C(c1cccc([C@H](c2ccc(Br)cc2)N2CCCCC2)c1O)N1CCOCC1 59500755 YIHIJUBGLHGTFU-NRFANRHFSA-N 459.384 4.202 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 96450492 YOTXEJRBKSDJFA-PUYZJMEQSA-N 498.586 4.101 10 10 JICE CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 103652642 JNXQEEZYCQLCAS-UDWIEESQSA-N 475.357 4.238 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)CC2)cc1 248124687 HCDRBAGZXYKNCR-DFCKQENNSA-N 461.606 4.207 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C3(Cc4cccc(Cl)c4)CCCC3)cc2)CC1 1625193493 WURCSBZRLFPGBI-UHFFFAOYSA-N 454.014 4.428 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC)c(OC)c1 1857996838 JAUOCEFGWRYRHI-UHFFFAOYSA-N 475.498 4.127 10 10 JICE Cc1cc(O)ccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345047 PRXNKXFJSNSABJ-UHFFFAOYSA-N 450.498 4.227 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 1860748484 BKESMHWGLSUPPP-UHFFFAOYSA-N 468.531 4.413 10 10 JICE CCCC[C@@H](NC(=O)CCCOc1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862230022 OUCFUIAFTMYMDS-HHHXNRCGSA-N 495.664 4.440 10 10 JICE CCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679312 GWBYMEFOQSXSIQ-OQLLNIDSSA-N 458.268 4.325 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 2053515652 DQWDKXXBFZVEAG-UHFFFAOYSA-N 450.589 4.164 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080055637 IFEPJACKUUISQU-CQSZACIVSA-N 477.293 4.482 10 10 JICE Cc1cccc(N2NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 2297559103 NOIZVDUABPXIIM-UHFFFAOYSA-N 468.263 4.387 10 10 JICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCC)SC1=S 2314741178 VFTVHBIGYAFYII-UHFFFAOYSA-N 458.399 4.392 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)C2=O)cc1 33370692 YVCZFYWKFTZISC-WQRHYEAKSA-N 492.440 4.081 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33781441 CQDUJCYQDZPDMV-LDADJPATSA-N 450.589 4.145 10 10 JICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39991318 JNNPNGWBZXCSJL-BHGLXKHESA-N 488.679 4.052 10 10 JICE O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)NCc1ccc(N2CCOCC2)cc1 108875693 MCGCSCKPROXYKT-RAXLEYEMSA-N 479.584 4.160 10 10 JICE COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)ccc21 519504326 KKXNSUUTOAJOCC-OAQYLSRUSA-N 470.591 4.110 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526505601 IDSJGIZWUBFDLM-XMMPIXPASA-N 462.502 4.238 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 1083971907 XIWQDLPAKGCVFK-UYRXBGFRSA-N 450.466 4.375 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(F)cc1 1860747095 UPSWCDICBKPURY-UHFFFAOYSA-N 470.478 4.345 10 10 JICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864010720 VWPVAOFNGURYOF-UPCLLVRISA-N 490.604 4.393 10 10 JICE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)CC2=O)cc1 1865925507 LQCSJFRZFHKUEQ-SFHVURJKSA-N 459.502 4.229 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2ccc(N3N=C(C(C)(C)C)CC3=O)cc2)c2nccn2C)cc1 1866182712 XTNQYEWFUFBGNL-DEOSSOPVSA-N 472.593 4.144 10 10 JICE CCc1nc(N2CCN(Cc3cccc(C)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867957791 JIXWXEJCSUNCSG-UHFFFAOYSA-N 486.664 4.005 10 10 JICE Cc1cccc(-c2nc(CC(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1868133803 LQKDLEUBNXHXKA-UHFFFAOYSA-N 493.519 4.031 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053512112 RXNYWUHJEBVSRV-UHFFFAOYSA-N 456.637 4.241 10 10 JICE COCCOCCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2095878847 FHIBKVPYDQCPFP-UHFFFAOYSA-N 455.599 4.232 10 10 JICE O=C1C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296727018 HPEOTXJTXWJPCK-UHFFFAOYSA-N 474.567 4.301 10 10 JICE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 2296758232 LHDBDXKUSTXMDI-UHFFFAOYSA-N 458.430 4.011 10 10 JICE COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)c(OC)c1 2297315914 VWRRCAYKMYXVAP-UHFFFAOYSA-N 474.538 4.461 10 10 JICE O=C1C(=CC2=Cc3ccccc3O[C@H]2c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314432541 BQWIKKLWBZUZPJ-RXVVDRJESA-N 469.609 4.135 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)cc1 2314931982 SCHKTSSTZBFFIB-UHFFFAOYSA-N 484.599 4.384 10 10 JICE CC(C)Nc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641768 OJDJLVWPIPFBDC-UHFFFAOYSA-N 456.502 4.415 10 10 JICE CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 54311030 YBRHBGWVYXOQRF-JTHBVZDNSA-N 476.614 4.045 10 10 JICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 72413059 LMDCVTDZCXGIEU-DEOSSOPVSA-N 457.530 4.330 10 10 JICE CCOC(=O)[C@H](C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccccc3)coc12 96579719 LYPQOCUTJYTSEX-CYBMUJFWSA-N 461.264 4.073 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526327926 LEKIGVLWTWQAQH-XMMPIXPASA-N 479.485 4.189 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1scnc1C 1705897982 YHVSCTJVLSWPTI-UHFFFAOYSA-N 475.622 4.056 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(C)noc3-c3ccc(Br)cc3)CC2)cc1 1858142931 QJHSRBAQISIGHS-UHFFFAOYSA-N 456.340 4.384 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864014173 OSDAPKKWPUHSRH-QFIPXVFZSA-N 480.609 4.358 10 10 JICE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296712175 GTMDUVQEEFMJNW-UHFFFAOYSA-N 493.654 4.154 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC 2297335824 LRUDNVTTYDLPOB-UHFFFAOYSA-N 465.731 4.361 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(OCC)c3)SC2=S)cc1 2314930915 AWGGZMWBRVNLMN-UHFFFAOYSA-N 459.545 4.353 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 2323843975 AQPPVGJVWAZSCV-UHFFFAOYSA-N 484.599 4.033 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C(C)=Cc3ccccc3)c3ccccc3)CC2)cc1 2330077216 FGQPXVCZJTVTII-HHHXNRCGSA-N 469.585 4.305 10 10 JICE CCCC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105290 QTLHBKLJRHPJNA-UHFFFAOYSA-N 463.578 4.301 10 10 JICE CC(/C=C1\SC(=S)N(CC(=O)Nc2cc(C)ccc2C(=O)O)C1=O)=C\c1ccccc1 16922505 IVYXWCGXOABFSN-WFADOZGKSA-N 452.557 4.479 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(OC(C)C)cc3)c3ccco3)CC2)cc1 38598163 XJLRDVPEEAOESU-VWLOTQADSA-N 463.578 4.369 10 10 JICE CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 95927051 IXLYBSFSSBSGQB-ZDLGFXPLSA-N 474.922 4.122 10 10 JICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 254625630 ZGSHKWQLBLCJLV-UYZPGORESA-N 494.642 4.148 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)CC2)cc1 1458047883 YKUMXQAHJXYDPN-CQSZACIVSA-N 453.764 4.227 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(F)cc1 1860652038 SMHMFQLTJNGDBT-IEBWSBKVSA-N 488.581 4.395 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(-c4ccccc4)n3)CC2)cc1 1862366648 RUADYJWKBBEJBD-UHFFFAOYSA-N 482.540 4.239 10 10 JICE CC(C)COc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867696054 KIKFPAORFGVIQM-WXVAWEFUSA-N 494.680 4.249 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)(C)C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869184883 YODRHTRKCUKSHX-UHFFFAOYSA-N 480.701 4.277 10 10 JICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Oc5ccccc5)cc4)c(=O)cc3O)CC2)cc1 1870129997 GBXYLIOLHARLHC-UHFFFAOYSA-N 497.551 4.306 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873165330 IGEQDONTIILLLO-UHFFFAOYSA-N 473.573 4.009 10 10 JICE O=C(Cc1c[nH]c2ccccc12)NCCN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=S 2040489988 JDNWVJSFEFPEOD-UHFFFAOYSA-N 465.556 4.093 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2053509209 PROUAIIWSWQTHQ-AWEZNQCLSA-N 464.546 4.262 10 10 JICE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1NC(=O)OC(C)(C)C 2106881688 WCMJWDCUKIWLHX-OXQOHEQNSA-N 460.619 4.302 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1 2297328145 LMMKXGUUUSMBCX-UHFFFAOYSA-N 466.902 4.438 10 10 JICE CC[C@H](C)OC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945441 VMJIUGLYCGEKDV-AWEZNQCLSA-N 460.577 4.049 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1cccc(Cl)c1 2332141227 LSFRHWRCCHKGFB-UHFFFAOYSA-N 467.787 4.364 10 10 JICE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)o1 2376866 FRPHWEXSDVUFER-SFQUDFHCSA-N 480.860 4.062 10 10 JICE CCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)CC3=O 9685809 WNAFFBOXXRSGAE-UHFFFAOYSA-N 495.645 4.405 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 16911909 VRRABQZTJQRSFR-CPNJWEJPSA-N 459.545 4.353 10 10 JICE N=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356611 SRLRRTDCMLSEDX-CLJVFQDKSA-N 497.580 4.328 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=S)N=C3O)c2C)cc1 33457645 KERQARXPHXIHML-UDWIEESQSA-N 463.515 4.141 10 10 JICE CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1 58865397 FHYAGCZQOPLBSJ-XKGHIZKOSA-N 463.606 4.385 10 10 JICE COc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cccc(OC)c3O)C2)cc1OC 65298235 KAMMXNQOUZOJNM-NRFANRHFSA-N 453.583 4.142 10 10 JICE biogenic Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860556946 FBBWPOIZPBFGTC-UHFFFAOYSA-N 491.503 4.435 10 10 JICE Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860592616 COHACIPGCFKDFI-UHFFFAOYSA-N 496.563 4.335 10 10 JICE CCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542386 UPVWUJUKPNHLDJ-WNJJXGMVSA-N 494.680 4.393 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868838955 JJXDGQGRFCPPAI-QFQXNSOFSA-N 465.638 4.412 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc5cc[nH]c5c3)n4C)CC2)cc1 1873650082 AIUMSCMJNSHFGE-UHFFFAOYSA-N 481.560 4.037 10 10 JICE COc1ccc(CC(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874730101 MFGYFKQUGCOYAW-UHFFFAOYSA-N 488.584 4.247 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2297333650 NPDUKDYZZDIREN-UHFFFAOYSA-N 470.865 4.269 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 2297349405 LHHTXKGWAXRVLN-UHFFFAOYSA-N 486.571 4.022 10 10 JICE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 2297471279 MKHCSRVYTWBCHN-UHFFFAOYSA-N 450.926 4.193 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)c1C 2313549436 WHKSEQREHPGPDG-UHFFFAOYSA-N 465.487 4.109 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)c2C)cc1 14266447 DNSFLEYOWOYACG-MHZLTWQESA-N 459.546 4.451 10 10 JICE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccccc1 15037259 YPIRYZKRJTULRI-WJDWOHSUSA-N 463.378 4.385 10 10 JICE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066492 NTUAJVJUDMRHAB-ZDLGFXPLSA-N 456.568 4.021 10 10 JICE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCc5ccc6c(c5)OCO6)cc34)CC2)cc1 65001963 WBIGSNKUGWZVPV-UHFFFAOYSA-N 496.567 4.229 10 10 JICE CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCC(N)=O 100147714 CVJGLPYCQMGGIC-VGOFMYFVSA-N 483.149 4.426 10 10 JICE CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 103512607 BOJIDOLSUOYBRL-FYJGNVAPSA-N 483.480 4.202 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5cc(C(C)C)ccc5n4)CC3)CC2)cc1 1858550830 TXTADQFJGFUCGB-UHFFFAOYSA-N 489.620 4.033 10 10 JICE O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NCCc1ccc(O)c(O)c1 1860255875 YXDSYWXBTKHQLS-UHFFFAOYSA-N 465.889 4.262 10 10 JICE CC[C@@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861966074 ZJWBDEHHWWAJHC-XMMPIXPASA-N 494.419 4.258 10 10 JICE CC[C@](C)(NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679337 UOAQJXWELDDSQP-SIBVEZHUSA-N 472.029 4.476 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCCCO)cc1OCCCO 1871265628 PTFKBDIJXWZVKW-UHFFFAOYSA-N 451.567 4.128 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421197 LJQUSFXRGIFTAT-UHFFFAOYSA-N 460.553 4.377 10 10 JICE O=C1C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1CCN1CCOCC1 2053510500 GGJHYLMQTWRIPC-UHFFFAOYSA-N 479.967 4.042 10 10 JICE COC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079928912 NGMOZEFABCBAJY-QGZVFWFLSA-N 454.308 4.295 10 10 JICE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297321550 RCJJKWCRCWUMAU-UHFFFAOYSA-N 496.980 4.266 10 10 JICE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)cc1 2297342103 RJZFOQOKOFYSKG-UHFFFAOYSA-N 490.899 4.372 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2297365359 LMMIENATFTZTGH-UHFFFAOYSA-N 477.904 4.108 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 2314827369 CNRVQRYUDGLVPA-UHFFFAOYSA-N 468.478 4.347 10 10 JICE COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 9778735 ODYVVASDQBSYRN-PKTZIBPZSA-N 475.932 4.167 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@@H](c3cccs3)N3Cc4ccccc4C3=O)CC2)cc1 20560963 BZPITELHWUBVFK-QHCPKHFHSA-N 461.587 4.193 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1F 31660170 NXUIAEGCOIOYPB-RUZDIDTESA-N 478.480 4.100 10 10 JICE O=C(O)c1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1 33456418 QSKAFKUWAXSFRR-DEDYPNTBSA-N 458.426 4.176 10 10 JICE O=C(Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 39899565 SYNYURVXLSJQES-UHFFFAOYSA-N 450.244 4.175 10 10 JICE COc1cc(OC)c(-c2c3c(nc4sc(C(=O)OC(C)C)c(N)c24)CCN(C)C3)cc1OC 40570139 NESPGPYNPICVGX-UHFFFAOYSA-N 471.579 4.124 10 10 JICE Oc1c([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc(Br)c(F)c1F 575285605 WLPDZFFOEOQCSE-MRXNPFEDSA-N 467.232 4.326 10 10 JICE CCN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1 1084465606 FPWDBLUBJAJPBB-ATVHPVEESA-N 456.340 4.188 10 10 JICE CC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1567315588 UPQAWSVKKHZIMU-OWBBTNHHSA-N 458.630 4.046 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(OCC)c(OCC)c3)SC2=S)CC1 1858591504 QHOHTISLNXOITD-XMHGGMMESA-N 464.609 4.306 10 10 JICE Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860399188 LIBGYCPMGAUXRC-UHFFFAOYSA-N 460.287 4.433 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccn2)sc(C)c1-c1ccc(Cl)cc1 1860758370 FIWFFLCPFXFJQU-UHFFFAOYSA-N 457.939 4.204 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1862213342 UCUCBCNIKDTGAS-NRFANRHFSA-N 481.637 4.005 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015904 GGWOSPRWNHTUPC-NRFANRHFSA-N 476.577 4.228 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865032147 WRNMNTKEWLFXPT-HYFFOGBASA-N 488.588 4.180 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865032442 CJPBLYVNWXQSOW-HSZRJFAPSA-N 490.604 4.498 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869225 QEXZOWXFYKKBIM-SHQCIBLASA-N 484.040 4.476 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4ccccc4nc32)n1 1869098705 QIRUZJRUANNMAA-UHFFFAOYSA-N 496.615 4.243 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccccc1C 2293225668 DBNVANXKPFVYAR-UHFFFAOYSA-N 459.589 4.357 10 10 JICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314836659 IBUYAQXITAGGPI-HNNXBMFYSA-N 462.637 4.335 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(O)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934965 LIXGCIITAPTJBT-MRXNPFEDSA-N 459.545 4.439 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15049017 RFGBZYAFVZSBCR-GPLLRDDGSA-N 461.406 4.355 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 33248203 KUNUQSPWFQWDJO-FSVXVPGWSA-N 466.628 4.245 10 10 JICE COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H](C(C)=O)N2c3ccc(OC)cc3C=C[C@@H]21 33759504 NFPFTRNKHLOOPI-SVPADUAOSA-N 481.346 4.097 10 10 JICE O=C1[C@@H](CN2CCCCC2)SC(=S)N1c1cc(Br)cc(Br)c1 59397300 DWNVPOIVTZQRNI-CYBMUJFWSA-N 464.248 4.431 10 10 JICE CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 210452116 XFITWICYRHWGHW-MOSHPQCFSA-N 472.588 4.411 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 210497028 PRJKKBIYSFPJOY-LFIBNONCSA-N 478.498 4.216 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)c1O 1654962019 NZUSGCHYBODWEK-GOSISDBHSA-N 452.979 4.144 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)CC1 1741033561 BKUJWENENAAUAN-UHFFFAOYSA-N 477.059 4.296 10 10 JICE CCc1sc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)nc1-c1ccc(OC)cc1 1858034459 SIMMBLBKMPKWSU-UHFFFAOYSA-N 471.604 4.481 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864014367 SXFWGRVRPWTYGS-QHCPKHFHSA-N 490.604 4.222 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033370 YGQPPPZTORRHFO-JOCHJYFZSA-N 476.577 4.189 10 10 JICE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)sc(C)c1-c1ccc(C)cc1 1866268353 RSBUPVFUBDYOCH-UHFFFAOYSA-N 493.516 4.461 10 10 JICE C=Cc1ccccc1OCC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867263073 PMYJICXAAFREKG-UHFFFAOYSA-N 468.509 4.017 10 10 JICE CCCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857038 OVYPKOPOGXKGEV-SXOMAYOGSA-N 495.664 4.467 10 10 JICE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)=N2)cc1 1871280881 UTMHRYWRVWZYLW-UHFFFAOYSA-N 469.519 4.328 10 10 JICE COCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420761 VEJUOVFWAGNBGP-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CCc1cc(=O)oc2cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179788 PNEVXYKSUZVGOO-UHFFFAOYSA-N 453.450 4.148 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079881359 UPYLEBXJIJIAJA-HNNXBMFYSA-N 462.234 4.342 10 10 JICE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 2294216440 AQPQFCAHNOCDOQ-UHFFFAOYSA-N 489.391 4.305 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2314414043 OJZDXVQBUSNPEI-UHFFFAOYSA-N 464.616 4.269 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314827328 BTNPBOOIHBRZIO-UHFFFAOYSA-N 488.587 4.038 10 10 JICE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2318684235 VOFKPSJXCGCMGR-OAHLLOKOSA-N 466.353 4.485 10 10 JICE CCN(CC)CCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323831788 DSAJNWKRRPEUBF-UHFFFAOYSA-N 477.696 4.257 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 8834034 CIKDNNREXYGLEQ-PZHUPROXSA-N 472.327 4.383 10 10 JICE C/C(NCc1ccc2c(c1)OCO2)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20287970 VNQKYKQXJRIPCN-XQNSMLJCSA-N 456.458 4.138 10 10 JICE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 33344882 PCLKILFKZYLKTO-XKZIYDEJSA-N 482.496 4.366 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c(OC)c1 33364312 QBKDDDJWTQOXSP-CXUHLZMHSA-N 479.377 4.013 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 59377547 KGRIQGRINZJOLW-XDHOZWIPSA-N 458.561 4.151 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 103037615 WRZSYUYCQDAHLY-UFTLPMNOSA-N 469.544 4.477 10 10 JICE Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c(C)n1-c1ccc2c(c1)OCCO2 108876437 UHQPJRZUUWMCSG-UHFFFAOYSA-N 464.537 4.483 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1 1858070101 HCPPENIXRPUHNP-UHFFFAOYSA-N 452.579 4.477 10 10 JICE COc1ccc(OCCN2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 1858586706 HNEAILKIVASUEH-GZTJUZNOSA-N 496.404 4.452 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865031615 KWEKWWPKKGVBTQ-QFIPXVFZSA-N 488.588 4.324 10 10 JICE COc1cccc2c1C(=O)N(CCCCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865832271 TVIGBMBFUDQJEL-UHFFFAOYSA-N 496.519 4.266 10 10 JICE CCOc1cn(Cc2ccccc2Cl)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870361655 OWHJJHYLYGFSQA-UHFFFAOYSA-N 467.997 4.280 10 10 JICE CCn1c(C(=O)Nc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650024 IJARLRAZAXIUKX-UHFFFAOYSA-N 470.577 4.347 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCCCN4CCCC4)c4ccccc34)[C@@H]21 1873904947 GWPBQMJZNJUTJY-GDLZYMKVSA-N 499.659 4.171 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(C(N)=O)c2I)cc1C 2079977808 RCGDBKOFZOEPTE-KRWDZBQOSA-N 453.324 4.032 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052548 NLBVUAABSWOXPL-OAHLLOKOSA-N 470.307 4.197 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 2296592306 KNWJRGTUTVAADY-UHFFFAOYSA-N 451.822 4.483 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 2297554559 GVYBKVOFZBZPCT-UHFFFAOYSA-N 456.633 4.372 10 10 JICE CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O 2313560354 QSADXGZONMFAIZ-UHFFFAOYSA-N 450.834 4.307 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3c(C)cccc32)SC1=S 2314769849 WEGHPDBVINVFSU-GOSISDBHSA-N 452.557 4.213 10 10 JICE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1CCCn1ccnc1 2318684272 XEAYHHTWHFXMIV-UHFFFAOYSA-N 458.790 4.296 10 10 JICE O=C(O)c1cc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)ccc1O 2321681336 FLUBZICQXUUFEM-UHFFFAOYSA-N 454.298 4.398 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1C 11857956 VPAVBHCEPRQPSJ-UHFFFAOYSA-N 487.603 4.290 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 12383924 RXVGJORWZCPTHF-CEZZIEKDSA-N 456.498 4.497 10 10 JICE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1)c1c(C)cccc1C 12979257 GPXGIDKPPVJTHR-DHDCSXOGSA-N 461.590 4.120 10 10 JICE O=S(=O)(O)c1cc(O)c(/N=N/c2ccc3cccc(S(=O)(=O)O)c3c2O)c2ccccc12 25669486 WMAPWGDDBFGMJM-QURGRASLSA-N 474.472 4.313 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 33398399 YOAKYKDHZXKPGX-JWGURIENSA-N 458.514 4.231 10 10 JICE CCNC(=O)c1cccc(CSc2nc(C)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 36053863 PQTQJEXXEGYWOW-UHFFFAOYSA-N 477.634 4.162 10 10 JICE CCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 40940278 GGSMSFYZKXVLBD-ZCXUNETKSA-N 471.991 4.403 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccc(C=O)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413218 PDQNMCPQBSAIAH-AREMUKBSSA-N 457.530 4.330 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 210695670 CNRVQRYUDGLVPA-CXUHLZMHSA-N 468.478 4.347 10 10 JICE Cc1cc(CCNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)c(C)n1-c1ccccc1 726525869 XOTOXAWZXHOIEC-UHFFFAOYSA-N 450.560 4.357 10 10 JICE CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21 1084544723 LLJOEBQEFPNHIQ-BOPFTXTBSA-N 452.308 4.399 10 10 JICE CCOc1ccc(C(=O)N[C@@H](CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537773 NFLFFABZLGIELG-UIOOFZCWSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868953120 ZACZRSPRTDGCTI-GDLZYMKVSA-N 499.655 4.403 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873167159 VBKLTKVUZAZJNO-UHFFFAOYSA-N 462.638 4.296 10 10 JICE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179839 ROPNWGYSMXOUJU-SFHVURJKSA-N 454.548 4.047 10 10 JICE COc1cc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc(O)c1O 1951857486 SSQATKWAMYXQSG-LEWJYISDSA-N 475.497 4.156 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080022151 GIFJQXUKDMCPEE-MRXNPFEDSA-N 469.367 4.452 10 10 JICE CN1C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)SC1=S 2297364526 GRMAQJBIHFPTAR-UHFFFAOYSA-N 470.391 4.048 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)cc1 2330479891 OZQCWYMLZIWUQO-SANMLTNESA-N 475.633 4.346 10 10 JICE O=C(NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)c1ccc(Br)cc1 1236433 RVTOGDHPDFFDRN-CXUHLZMHSA-N 458.362 4.477 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1 11858073 FHHRLONKLCUQAS-AWEZNQCLSA-N 473.576 4.142 10 10 JICE COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)cc1OC 33321312 MJXJPTQKXGAFRX-WQRHYEAKSA-N 468.531 4.042 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 33615202 OWMLLUFPBUVIOH-FOCLMDBBSA-N 483.409 4.032 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)CC(C)(C)C)CC3)CC2)cc1 37277165 KEMWGGDBZBDFPW-UHFFFAOYSA-N 492.664 4.179 10 10 JICE O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nccs1 39793759 ZODVQPBRLVBXRR-YBEGLDIGSA-N 457.558 4.155 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1cc(-c2ccccc2)no1 40324270 ORZOBUSDCFXUNU-NDENLUEZSA-N 467.547 4.388 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cccc(-c4nc(-c5ccc(C)cc5)no4)c3)CC2)cc1 64610926 YHJCRSKKWQIBJY-UHFFFAOYSA-N 490.585 4.232 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)CC2)cc1 248140442 PMJHQHKJFSOVRY-UHFFFAOYSA-N 463.538 4.106 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019353 JISWLCZVXQKMSA-QFIPXVFZSA-N 476.577 4.011 10 10 JICE COc1cc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1951525906 XTODILLVLPQQPJ-OAQYLSRUSA-N 463.486 4.031 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047725 OIFGVVIPBLTVRB-AWEZNQCLSA-N 466.241 4.402 10 10 JICE COc1ccc(CN2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2293250169 BVYBBELLIYYHFQ-UHFFFAOYSA-N 461.362 4.181 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 2293823852 GTAVOQZXFQIPDP-UHFFFAOYSA-N 472.885 4.346 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 2294095717 ZWUXUUHVAPUKTA-UHFFFAOYSA-N 450.292 4.215 10 10 JICE Cc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2296703463 QXHPLWYTUNAYJF-UHFFFAOYSA-N 450.589 4.225 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297364475 KDXNMWSVYNWESV-UHFFFAOYSA-N 450.423 4.149 10 10 JICE COc1ccc(C=C2SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1OC 2297468241 FSVDUJZFBZFBAM-UHFFFAOYSA-N 457.983 4.458 10 10 JICE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2297470066 XFZNMBPDLKUMKO-UHFFFAOYSA-N 474.590 4.034 10 10 JICE CCOc1c(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cccc1OC 2313548120 MFGISZMMWZTVGI-UHFFFAOYSA-N 473.323 4.140 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934838 KUSKRGYFWINWKF-INIZCTEOSA-N 492.619 4.140 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1I 33409286 QMAZDACSENDHLO-ZROIWOOFSA-N 462.243 4.115 10 10 JICE CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933405 USSQYOCLACYPSD-NRFANRHFSA-N 478.515 4.005 10 10 JICE CC(C)C[C@@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606671998 JXIKKORIONZLLT-GEBKJHSDSA-N 454.573 4.322 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 1084420427 AWHQJCFBPCSWDW-PDGQHHTCSA-N 480.860 4.363 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861924929 FSJPQMZOQKFZKD-NRFANRHFSA-N 496.460 4.202 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385622 IFRLJXAAQOTQQV-KAYWLYCHSA-N 494.680 4.393 10 10 JICE COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873963748 QXAHPSIFGZXZOC-UHFFFAOYSA-N 495.495 4.130 10 10 JICE CN1CCCc2cc([C@@H](CN)N(Cc3ccccc3)C3CN(C(=O)OC(C)(C)C)C3)ccc21 1881471225 CEEADWWUXCSQIM-RUZDIDTESA-N 450.627 4.190 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079007240 PHMHTGYGHJORBQ-QGZVFWFLSA-N 453.324 4.114 10 10 JICE O=C(N[C@H]1C(F)(F)C12CC(NCc1ccc(Br)cc1O)C2)OCc1ccccc1 2142145966 NNVWWVYPEQMOMB-KGXSXCIVSA-N 467.310 4.337 10 10 JICE CCOc1c(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cccc1OC 2313548580 YYQUSTCGOKDAJT-UHFFFAOYSA-N 473.323 4.140 10 10 JICE CN(C)c1oc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 2313556815 LPKVDRFXXLEYSD-UHFFFAOYSA-N 489.178 4.246 10 10 JICE CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 6378716 ZLFIZFXCACAZQO-LICLKQGHSA-N 463.353 4.456 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14547939 HQSCVUDHUIDMFA-LZCXECNNSA-N 462.571 4.393 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 33436502 LALCDJCLSWCKCF-XDHOZWIPSA-N 486.571 4.022 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C)CC3)nc12 33458390 ZLCXVOVTQAVAAO-XMHGGMMESA-N 468.648 4.383 10 10 JICE CCOc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1868050160 PODDIKMZBLLFOB-DEOSSOPVSA-N 453.627 4.436 10 10 JICE CCOC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871147080 PTXHPTTWSGYPTA-UHFFFAOYSA-N 492.620 4.488 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873163939 CZBSPMLTHYOIFK-UHFFFAOYSA-N 452.514 4.152 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2079854086 FFGUVNQKBMZAGE-NSHDSACASA-N 498.239 4.397 10 10 JICE Cc1ccc2nc(NC3CCC(C)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2314414184 RSIHYAQINWDLKS-VJFUWPCTSA-N 498.674 4.374 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)cc2)o1 2314913631 JKCBWTQZDMKTRH-UHFFFAOYSA-N 470.601 4.260 10 10 JICE COc1cc(C=C2SC(=S)N(CCCNC(C)=O)C2=O)ccc1OCc1ccccc1 2323888876 OMSOYZJLCQIWFO-UHFFFAOYSA-N 456.589 4.002 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)c(I)c1O 13915044 GSEQYAPIKVUXCJ-MDWZMJQESA-N 468.678 4.465 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CC=C[C@@H]32)CC1 20704495 UFMFRVOEBNSNNA-DRSNIGMVSA-N 452.942 4.462 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc(Cl)c1O 34138302 IKHYZFOKDJELFN-XGICHPGQSA-N 467.728 4.488 10 10 JICE O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2ccccc2S1(=O)=O)N1CCCCC1 65096227 KNQQOVAHQMXCQP-UHFFFAOYSA-N 452.454 4.365 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 208339974 KHDXDVZBKYODEC-ZDLGFXPLSA-N 479.426 4.334 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 210458462 ZXPNDLNXDWCYMY-MOSHPQCFSA-N 473.572 4.001 10 10 JICE CCN1C(=O)C(=C/C=c2/c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)N(CC)C1=S 1615057236 UTTRKGLGOPRNSA-QJOMJCCJSA-N 467.594 4.264 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2C)C1=O 1625484489 CTQDRGOLXWRONC-UHFFFAOYSA-N 451.571 4.292 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCn3c(C(F)(F)F)nc(Br)c3C2)c1O 1660572221 HYGFNFIQPQBGMP-UHFFFAOYSA-N 452.658 4.242 10 10 JICE CC/C(=C\C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1868135801 RYINNLXDRGWXLQ-BMRADRMJSA-N 468.509 4.019 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174857 LTQFTCQOWUGYPH-FGZHOGPDSA-N 473.621 4.401 10 10 JICE CCN(CC)CCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165537 NFGGHNAMYAPNEG-UHFFFAOYSA-N 494.680 4.311 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccco5)ncnc4n3CC(C)C)CC2)cc1 1875210587 UGSNYOBHACAJOL-UHFFFAOYSA-N 488.592 4.263 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCCCC3)nc12 2040469204 CSZUZWAOFUBTNU-UHFFFAOYSA-N 490.654 4.437 10 10 JICE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040499245 VRXCHADKMYIZCY-UHFFFAOYSA-N 464.616 4.350 10 10 JICE Cc1ccc([C@@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079141127 YBUCODVVNQLTTI-MRXNPFEDSA-N 455.340 4.360 10 10 JICE CCCOc1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 2296760008 RBAGGGFXJBXLRL-UHFFFAOYSA-N 452.536 4.176 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(O)c3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935050 MSVKNDDJGMXXRZ-MRXNPFEDSA-N 459.545 4.439 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 15035631 JLCYFRYALUWXSX-SXGWCWSVSA-N 468.478 4.260 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15044636 NVRHTJQPRCIOMY-HKWRFOASSA-N 468.600 4.316 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(Cl)cc1 20287261 RXYXIVJLNGHWOX-KGENOOAVSA-N 468.966 4.322 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3OC)CC2)cc1 20289444 AXZPGDFBCOMVOG-DFBJGRDBSA-N 495.645 4.456 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4cccc(F)c4)[C@H]3C2)cc1 245279498 GGYKJRAVXHYOPE-AHKZPQOWSA-N 475.564 4.027 10 10 JICE Cc1cc(C)c(-c2csc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c(C)c1 1858032191 OFNOHGZVFNWLJB-UHFFFAOYSA-N 455.561 4.190 10 10 JICE CCCC[C@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102344 YOTOWCFQPKHSRX-DEOSSOPVSA-N 491.636 4.332 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1862218384 GQJDNIPGMSNCBW-UHFFFAOYSA-N 495.664 4.395 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4OC)n(-c4ccccn4)n3)CC2)cc1 1862349351 BAMJALKGUAFINP-UHFFFAOYSA-N 483.572 4.222 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864008996 WVXXOULTMZSNPK-DEOSSOPVSA-N 488.588 4.185 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865031388 FUJOBVXZNCSCEL-HRAATJIYSA-N 474.561 4.077 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc5ccccc45)[nH]3)CC2)cc1 1871730280 OVQSHDPVFYAUJU-UHFFFAOYSA-N 497.647 4.405 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OC 2293449726 RVBOHJVMTKQRLH-UHFFFAOYSA-N 451.953 4.304 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2296125327 AZLPFBYXPMKTOB-UHFFFAOYSA-N 464.861 4.361 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 2297315293 GJCCZGMWPGJVRZ-UHFFFAOYSA-N 488.319 4.049 10 10 JICE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1 2314832911 OBYGGANZUNBNAO-INIZCTEOSA-N 492.500 4.247 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 14467345 XXZXFYUVCGZXTD-PNLZDCPESA-N 494.444 4.462 10 10 JICE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)cc3)C(=N)N12 20154718 YYXWQYOZYGZVHY-JSIBOBQWSA-N 452.561 4.392 10 10 JICE CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33313341 HQERNVPKOWZTDW-KGENOOAVSA-N 468.600 4.445 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 33480082 ZWUIVLYQZFSXGO-BMRADRMJSA-N 488.635 4.143 10 10 JICE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066497 YDCDNEJIOOCJOA-GRSHGNNSSA-N 470.595 4.409 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226846974 ZBPLABDQTAQSKZ-IEGUWTFLSA-N 455.536 4.302 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(OCCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862064137 BYYQZQQKHODPCO-RUZDIDTESA-N 467.610 4.121 10 10 JICE CN(C)c1ccc([C@H](NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)c2nccn2C)cc1 1865918644 CVMZRENGXPNKFF-SANMLTNESA-N 482.540 4.030 10 10 JICE CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870456815 MHSUHZFJOSLUJJ-UHFFFAOYSA-N 498.023 4.310 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166836 JBPKTVFAPWTXMR-UHFFFAOYSA-N 483.547 4.069 10 10 JICE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873168385 SUZMXKHVPLMWEI-UHFFFAOYSA-N 459.594 4.310 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(C)cc3C)C2=O)cc1 2293606163 YVFNMERKHSKWDX-UHFFFAOYSA-N 457.530 4.413 10 10 JICE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296538238 IJFKYRQFAXUNCC-UHFFFAOYSA-N 495.626 4.442 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 2296709091 SZJMYQJXEQHLFC-KRWDZBQOSA-N 479.583 4.175 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c(O)c1 2313547837 DDZFFXRLLCLLPB-UHFFFAOYSA-N 486.366 4.284 10 10 JICE O=C(NCCCC(=O)N1CCc2cc(O)c(O)cc2C1)OCC1c2ccccc2-c2ccccc21 2318658490 QQRKXMOWJXBFCQ-UHFFFAOYSA-N 472.541 4.301 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 15035740 FOBFLKWMWRYWTM-PXNMLYILSA-N 498.504 4.268 10 10 JICE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39990446 RTSBCDFNJARAKB-JYAVETKUSA-N 458.653 4.142 10 10 JICE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 208587977 IDITZQWNBGDPKF-QBFSEMIESA-N 469.994 4.289 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 526601791 FRPRRRXPQLYWMR-JOCHJYFZSA-N 492.553 4.445 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)CC2)cc1 742926861 CQZAODFETNOUQI-UHFFFAOYSA-N 497.599 4.273 10 10 JICE CCOc1ccc(NCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 1084411604 HUEXQHPQYFTBFC-UNOMPAQXSA-N 460.577 4.382 10 10 JICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015784 VDFOCAZWUULTKB-NRFANRHFSA-N 476.577 4.084 10 10 JICE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881513566 RPFMYQNMVGZXMR-RTWAWAEBSA-N 464.651 4.272 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c(C)c1 2294204956 XXHRBJFOKNXNLE-UHFFFAOYSA-N 474.498 4.230 10 10 JICE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296340349 XSXYIXHQEVURIG-UHFFFAOYSA-N 465.553 4.344 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297469987 MGGLSBNUIQUYOD-UHFFFAOYSA-N 492.580 4.255 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 2297554409 IRYBCJALVHAPKW-UHFFFAOYSA-N 484.643 4.150 10 10 JICE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 2313683192 UGPKNRLPZHRAKT-UHFFFAOYSA-N 486.528 4.469 10 10 JICE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314837309 QTJYNOZGYAXUFV-SNVBAGLBSA-N 468.478 4.345 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15036626 DKOHYQBPFVOORV-HKWRFOASSA-N 468.600 4.316 10 10 JICE CN1CCN(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)CC1 35519087 PLNDGEZOYPQPCE-SFQUDFHCSA-N 453.511 4.329 10 10 JICE COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 105298128 QJXZUEMKORVLHN-KPFINFFTSA-N 452.442 4.354 10 10 JICE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 248083661 VXWVITFSEODFPM-CPJSRVTESA-N 463.603 4.295 10 10 JICE CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(Br)cc1O)C(F)(F)C(F)(F)F 722747827 CZNKHLYYRQGNJC-GFCCVEGCSA-N 463.241 4.335 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)sc(C)c1-c1ccccc1 1860747273 BTUIQKHGDFLPKR-UHFFFAOYSA-N 483.502 4.394 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 1861925724 NFCOKROWQVLPKW-RUZDIDTESA-N 495.982 4.178 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864018644 POSUMZFUDQUHFU-JOCHJYFZSA-N 494.567 4.045 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(Cc4ccccc4)ccc3[nH]2)c2nccn2C)cc1 1866552432 DQHHWAYBINZUGA-NDEPHWFRSA-N 491.595 4.438 10 10 JICE CC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866616970 OXXJFCOLIAHEAP-QHCPKHFHSA-N 477.520 4.400 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981171 FASWARKJRQMCNB-UHFFFAOYSA-N 494.039 4.341 10 10 JICE COc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 2293239157 CZYYOCLIYYQCCO-UHFFFAOYSA-N 494.931 4.276 10 10 JICE CC(=O)O[C@@H]1[C@H](N2CCCCC2)c2c(ccc(C=CC(=O)N3CCCCC3)c2O)OC1(C)C 2295103346 FRDWBYRDTKNHAO-ILBGXUMGSA-N 456.583 4.048 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 2296660196 NXMCHFNPRAGDLK-UHFFFAOYSA-N 478.574 4.499 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 2296664579 OYMOHKZQAJCCMI-UHFFFAOYSA-N 468.600 4.275 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2297019479 CIKDNNREXYGLEQ-NSHDSACASA-N 472.327 4.383 10 10 JICE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 2297499853 BJBZCMWMTWJJFZ-UHFFFAOYSA-N 472.885 4.346 10 10 JICE O=C(Nc1cccc(Cl)c1)NN1C(=O)C(=Cc2coc3ccccc3c2=O)SC1=S 2297576544 LCGVAFGLGZHYKQ-UHFFFAOYSA-N 457.920 4.384 10 10 JICE Cc1ccc(CN=c2[nH]c(C3CN(C(=O)OC(C)(C)C)C3)cs2)c(O)c1Br 2380800947 NFNJBRZJFZHHFH-UHFFFAOYSA-N 454.390 4.288 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)c1 20236798 DNAJGLQFJNNEFC-LWCDXBROSA-N 453.882 4.257 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc(OC)c1OC 33625024 RIALLDQDOLUYMG-DALCUZTNSA-N 468.560 4.222 10 10 JICE O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 33857866 RLTNUYCFYLYJRG-WOKFVVJVSA-N 452.601 4.250 10 10 JICE CCSc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 39885915 SBYHIKWTQPSRNS-XFFZJAGNSA-N 457.027 4.143 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 40938919 DJCHIKNEQUHNDA-GXDHUFHOSA-N 474.398 4.098 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1nc2ccccc2s1 206726476 OKFNDCYLNHSPHJ-NBVRZTHBSA-N 453.614 4.247 10 10 JICE Cc1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)cc2nc1C 1860855390 OTPFUKJRQCRUHF-UHFFFAOYSA-N 453.546 4.495 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1862296284 DMEORVXRJJFOMM-SANMLTNESA-N 457.574 4.132 10 10 JICE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868686437 QFDHVAPEKYBFPU-LEAFIULHSA-N 463.622 4.213 10 10 JICE CCC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868750201 HZPRPAXQLDWEEU-HJMGBZSKSA-N 470.013 4.386 10 10 JICE CCCOc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870655034 MCIIPHHRXNJMCY-UHFFFAOYSA-N 461.606 4.211 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873162081 FRKFYMFQRSPGRP-UHFFFAOYSA-N 482.628 4.101 10 10 JICE COCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162328 PYUBMNIPOBXIBP-UHFFFAOYSA-N 457.574 4.043 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCCC2 1873427369 QXRXZKVBTVAASQ-GFCCVEGCSA-N 462.955 4.067 10 10 JICE Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 2294199264 JYVSQHVAIYPPOR-UHFFFAOYSA-N 450.834 4.273 10 10 JICE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2296538248 IQEJDWRNVCDSBC-UHFFFAOYSA-N 469.563 4.038 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(I)cc3)N=C2C)cc(Cl)c1O 2297104410 SSOXAWZPDSBFBN-UHFFFAOYSA-N 468.678 4.465 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066676 DGFKAXHCIYZIEH-GJUHEBOISA-N 470.595 4.316 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)CC1 1540962199 JMWGDKWWQAUQBN-UHFFFAOYSA-N 478.641 4.226 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1614472412 GVMLBFRKNAMGFQ-CPJSRVTESA-N 468.638 4.480 10 10 JICE CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCSc2nccs2)CC1 1722794825 NGSNUWCTZKMUQO-UHFFFAOYSA-N 488.708 4.186 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143068 IBOUPDNARJFCTP-FESLSTPNSA-N 495.689 4.419 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021751 GFGQEUKVBVRQKY-QGZVFWFLSA-N 494.514 4.113 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864023430 YVHJLERGOBLRID-QEORTHHSSA-N 494.514 4.113 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869173843 ZIIGWEBPMGLTGB-NRFANRHFSA-N 459.594 4.012 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(F)cc3)ncnc21 1875202284 NURSTFVXABDYNK-UHFFFAOYSA-N 488.567 4.173 10 10 JICE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079040216 KBINTWZJDZGPGF-ZDUSSCGKSA-N 479.240 4.009 10 10 JICE CCN(CC)c1ccc(C=C2SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 2296940560 FHXOQEWVDWUSCW-UHFFFAOYSA-N 465.579 4.234 10 10 JICE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 1833618 IJFKYRQFAXUNCC-QURGRASLSA-N 495.626 4.442 10 10 JICE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15048828 HBNHHDUASHOUCY-ZPBHHCQCSA-N 454.396 4.134 10 10 JICE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccccc2O)cc1 21658999 TYGSLBCEKSPZPY-QHCPKHFHSA-N 464.525 4.224 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nccc5sc(C)cc45)C3)CC2)cc1 33174033 IRBYIDBRYIHTEV-LJQANCHMSA-N 450.608 4.179 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33931818 FGBTVVGTYATOQB-SAPNQHFASA-N 469.613 4.083 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066601 RVUCYHFRNVSAJO-NDENLUEZSA-N 464.616 4.321 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O 40859316 GDFPCCWQKZHPPO-RIYZIHGNSA-N 466.334 4.267 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCC(=O)O 210457986 CIKVDOFWGIDAIR-ODLFYWEKSA-N 457.529 4.157 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526387319 BYWKIWDYZNYDRR-SANMLTNESA-N 471.557 4.215 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017691 RSSDQIIJKRGBPP-OAQYLSRUSA-N 494.979 4.253 10 10 JICE CCc1cccc(C)c1N1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865924207 YUUYLIUGWCHCIV-AOYPEHQESA-N 476.665 4.320 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](C)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1868765159 VHWZSCUVXILRCC-KDYSTLNUSA-N 489.591 4.219 10 10 JICE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873164595 IYBSRRJYHARQGX-UHFFFAOYSA-N 450.627 4.296 10 10 JICE CCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168333 RMEIUZJMLSIGCP-UHFFFAOYSA-N 457.530 4.103 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421054 DOFLOGLIEJYRLJ-UHFFFAOYSA-N 487.560 4.146 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426228 XKFSQMYXPBPZPU-UHFFFAOYSA-N 484.600 4.008 10 10 JICE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 1877574624 ZABAMVFQHLPFJW-LJQANCHMSA-N 453.583 4.129 10 10 JICE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080048352 RCLJFQKKLGKPEI-INIZCTEOSA-N 484.334 4.285 10 10 JICE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106865470 HWKJQIQHLUXNEJ-SHQCIBLASA-N 450.627 4.456 10 10 JICE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2201734270 KTHBJYHRYWNUDZ-LIRRHRJNSA-N 461.784 4.066 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1 2293250261 DAECSXXENCIAIJ-UHFFFAOYSA-N 450.520 4.182 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2293523525 DAHZDXWAGFYDQX-UHFFFAOYSA-N 482.246 4.284 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 2294623632 LAQIFBSAUCRPMK-UHFFFAOYSA-N 462.483 4.480 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1nccs1 2296260057 BWHKYKOLXMLKOU-UHFFFAOYSA-N 454.305 4.469 10 10 JICE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 2296701610 LNXUYGKVEXDUGD-UHFFFAOYSA-N 485.590 4.444 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc21 11857488 AMZWOLLKCTYYSX-UHFFFAOYSA-N 494.392 4.119 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)N2CCc3ccccc3C2)cc1 16914687 MGIOHMACCBEECV-MHZLTWQESA-N 463.647 4.014 10 10 JICE Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1C 17053084 ZYWWFKDLFVTDEL-HHHXNRCGSA-N 463.647 4.447 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 20154691 MYDASVFQTHWZBE-YHBINRDGSA-N 482.587 4.483 10 10 JICE O=C1/C(=C\NNc2nc3ccccc3s2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 22562540 DNYLYZXKMQPPRY-JXAWBTAJSA-N 456.487 4.456 10 10 JICE CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066939 KJGSOBJDQLPQKI-UNOMPAQXSA-N 452.605 4.272 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)C3(c4ccccc4OC)CC3)c3ccco3)CC2)cc1 49486518 REQGLJSNSCVLOC-DEOSSOPVSA-N 475.589 4.008 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 59377542 MLECLAJSKFEVQB-XDHOZWIPSA-N 458.561 4.151 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C\c3ccc(OCc4cn5ccccc5n4)cc3)CC2)cc1 96924598 GVBDYEXQBGLRRY-AUWJEWJLSA-N 468.557 4.284 10 10 JICE CS(=O)(=O)N(Cc1ccc(Br)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586186400 WFVVWPPOSGYEJM-UHFFFAOYSA-N 470.344 4.191 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1614474412 PMFNJYLCLWZXBA-CYFREDJKSA-N 454.611 4.090 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028445 VDAAROKGLJAHQA-JLCFBVMHSA-N 494.979 4.341 10 10 JICE O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865920027 MGBXTEYTIJHPSD-UHFFFAOYSA-N 479.488 4.465 10 10 JICE CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872884118 LXLNXOBRDKLAHJ-UHFFFAOYSA-N 473.573 4.446 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1O 1873859481 PRVPURVJVPOXEL-UHFFFAOYSA-N 450.498 4.309 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccc(F)c4)cc3)CC2)cc1 1874744091 XCZJBYKXCOYDBI-UHFFFAOYSA-N 462.521 4.449 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079856377 RDGLALGBZCEVRX-CQSZACIVSA-N 480.224 4.423 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296539279 KXJODDAXEREUPK-UHFFFAOYSA-N 489.578 4.345 10 10 JICE CCOc1ccccc1N1C(=O)C(=Cc2ccc(OCCC(=O)O)c(OC)c2)SC1=S 2314932718 OVRQJOZLEOGWCS-UHFFFAOYSA-N 459.545 4.353 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 9260141 REWUZDIRQMLXGX-HMAPJEAMSA-N 487.581 4.329 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 33784097 OSLOGJQKGQKJNK-XJWHVNBWSA-N 489.538 4.038 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 209422051 WMINKQVSQGHIAR-ACCUITESSA-N 450.636 4.270 10 10 JICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 210032010 ZCMIDNFXINLYTG-KGENOOAVSA-N 479.583 4.158 10 10 JICE [N-]=[N+]=N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 255981740 JRYQCEUTVAAQHC-KAOXLYBCSA-N 487.468 4.330 10 10 JICE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 726706629 OTIMXIXWJMWKKE-LJQANCHMSA-N 497.546 4.065 10 10 JICE CC[C@@](C)(NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259741 NSPUWKUUEMKTAH-HSZRJFAPSA-N 464.393 4.249 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009817 FMRBLKYIIZKUBV-HXUWFJFHSA-N 482.968 4.110 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(O)c(Br)c1 2293320831 ZGAKGMKUEQZBJW-UHFFFAOYSA-N 472.147 4.293 10 10 JICE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCSCc3[nH]cnc3C)C2=O)cc1 2296473018 MXEDLBYTGNDYIL-UHFFFAOYSA-N 461.591 4.275 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352814 ZDZDLFFHZWPWHE-UHFFFAOYSA-N 490.545 4.236 10 10 JICE CCOc1cc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1O 2323879824 JQYPVTSDIUEGNF-GOSISDBHSA-N 458.605 4.304 10 10 JICE COc1ccc(N2CCN(C(=O)CSCc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 9251597 TVCJUPCZOYUTSX-UHFFFAOYSA-N 487.629 4.254 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 33498134 IDVAYSBWPPYJMN-MEOLDJOHSA-N 490.501 4.271 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(Nc4ccc(OC(F)F)cc4)n3)CC2)cc1 38511758 GSVKQNHUIHWYKE-UHFFFAOYSA-N 460.506 4.459 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(Cc4c[nH]c5ccccc45)n4ccccc34)CC2)cc1 1858332651 JVNPDUUQPDZCOH-UHFFFAOYSA-N 465.557 4.377 10 10 JICE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Oc1ccc(N)cc1 1858688040 TYYAHSRWQIGCRS-ZDUSSCGKSA-N 456.886 4.343 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1NN=NCCc1ccc(OC)c(OC)c1 1860490909 BVVHFCIITZLHOW-UHFFFAOYSA-N 458.559 4.360 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008688 PVYUNXNQTWESEV-DEOSSOPVSA-N 490.604 4.351 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CCCCCNC(=O)c2ccccc2)N2CCCCC2)cc1 1866015460 ICLGGIZFCHNSSW-SANMLTNESA-N 464.654 4.386 10 10 JICE CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867407224 SQZZLNQWPJSYOF-ZEQRLZLVSA-N 471.045 4.258 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1869137231 BMTSEVNEKLHWTO-NRFANRHFSA-N 487.604 4.097 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccc(F)cc3)CC2)cc1 1870435681 QYJGCOMAAVJIMS-UHFFFAOYSA-N 479.596 4.401 10 10 JICE CCN(CC)CCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871118574 WWSBNDMCXBRODE-UHFFFAOYSA-N 491.636 4.190 10 10 JICE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873548996 SVGOUCHNAMPBOW-UHFFFAOYSA-N 464.614 4.049 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2293176029 SUKOVVJQQVOGPI-UHFFFAOYSA-N 454.236 4.079 10 10 JICE CCCOc1ccc(C=C2SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 2296943128 WPJJPAPKNHWJOJ-UHFFFAOYSA-N 452.536 4.176 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)o1 2297352713 OGFZKMBWQQKNRV-UHFFFAOYSA-N 464.507 4.226 10 10 JICE O=C1C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2297467960 IHCODCPUZZVGDB-INIZCTEOSA-N 483.546 4.006 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OC 2314764928 PKQLNTGNKXVZJR-UHFFFAOYSA-N 493.404 4.403 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1 2314769961 XIWUIDSBDMGUMP-JOCHJYFZSA-N 498.626 4.049 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)cc1 2314930956 BMLHYGVQRMRUCK-UHFFFAOYSA-N 484.599 4.384 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCCC(=O)O 2314936509 YWVPATSTSUZRKZ-UHFFFAOYSA-N 457.573 4.383 10 10 JICE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1152438 TVWMMGZSMLJUSS-ISLYRVAYSA-N 491.516 4.282 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 20154821 HVGCOTLJYVYVCE-KMFLQCEESA-N 496.570 4.253 10 10 JICE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20239018 AAUZLYPSHBVWKU-WTKPDZJWSA-N 479.396 4.435 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 33914019 DVXNOHDNNSIFOT-PHODEOQFSA-N 481.437 4.346 10 10 JICE COc1ccc(/C=C2/SC(=S)N([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 103440471 MVVPLIMUDGBURG-BRMCRPDNSA-N 492.500 4.247 10 10 JICE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 103989177 UOCCPSIYQWVIGQ-LDADJPATSA-N 473.967 4.316 10 10 JICE COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2Cc2ccccc2)cc1 585177413 YFHOIJFBAPRQSZ-UHFFFAOYSA-N 451.577 4.498 10 10 JICE CCCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(C)ccc1OC 586280196 QTOUACXVVGJEBM-UHFFFAOYSA-N 477.538 4.301 10 10 JICE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)C(C)C)CC1 1705525596 ODIZYZWYRWQHDM-UHFFFAOYSA-N 458.610 4.071 10 10 JICE CCCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862263132 YNSBJTMGNWSPIK-SANMLTNESA-N 481.637 4.367 10 10 JICE CCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702884 MNDBIDKUGBSVKV-AOYPEHQESA-N 497.595 4.378 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979285 KKUSIDOKWLWPSE-UHFFFAOYSA-N 494.039 4.341 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2Br)C(C)(C)C)c(O)c1 2079846986 LWJZMOGTYAPPBP-ZDUSSCGKSA-N 450.255 4.113 10 10 JICE CCOC(=O)c1c(C2CCC2)nn([C@H](C)c2ccc(OC)cc2O)c1I 2080025629 RBSWORXLZTYLQQ-LLVKDONJSA-N 470.307 4.255 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2293453481 VXIYSEKMHOOPOH-UHFFFAOYSA-N 470.865 4.269 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OS(C)(=O)=O 2294593345 KLJUMQHLTXGWFK-UHFFFAOYSA-N 469.993 4.401 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)c1 2297351420 NKLRQJMMYCKASZ-UHFFFAOYSA-N 487.581 4.363 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3ccc(Cl)cc3Cl)C2=O)c1 2320656169 JJSOIGKKSNQUQZ-UHFFFAOYSA-N 497.425 4.398 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(F)cc4)n(C(C)(C)C)n3)CC2)cc1 2331397074 FZJBFIMOZGTXHW-UHFFFAOYSA-N 478.572 4.159 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)cc1OC 752635 WVDXOOUVFHBOSV-XDJHFCHBSA-N 474.538 4.461 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(CC)s4)n3)cc21 11857764 BPYDSWNWPDVUGE-UHFFFAOYSA-N 463.606 4.370 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 20236712 TXMJLCMPXKGBTN-XACXAJBGSA-N 486.278 4.110 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356741 QUMLVXPALGKUTB-PUYZJMEQSA-N 494.533 4.172 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)c(OS(C)(=O)=O)c1 37422947 JBMGPUMJWPZPQI-UHFFFAOYSA-N 474.554 4.446 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=S)N=C2O)c(Br)cc1O 38160075 PZCAPBFFWZGWJU-QPEQYQDCSA-N 461.337 4.452 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 39835701 FTXQGFFMKLVJGM-NBVRZTHBSA-N 485.562 4.254 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)CCCOc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694618 OGOPJHFZPJDPLE-UHFFFAOYSA-N 477.580 4.419 10 10 JICE CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Br)ccc1O)C(F)(F)C(F)(F)F 722713987 UYVKGVYATIFABN-GFCCVEGCSA-N 463.241 4.335 10 10 JICE COc1ccc(N2CCN(Cn3nc(Nc4cccc(NC(C)=O)c4)sc3=S)CC2)cc1 914565100 IBVBLINIWHKVRF-UHFFFAOYSA-N 470.624 4.164 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c1 1084338764 CAZWQMBJUUOTBD-BOPFTXTBSA-N 468.824 4.192 10 10 JICE CC(=O)N[C@@H](Nc1ccccc1N[C@H](NC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1088697624 ZKBHJYKMJVLCNA-RYUDHWBXSA-N 485.026 4.175 10 10 JICE Brc1cncc(Br)c1CNCc1ccc(N2CCSCC2)cc1 1560272877 PZCJTKGSLWYJGC-UHFFFAOYSA-N 457.235 4.450 10 10 JICE CCc1cccc(C)c1NC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12 1858227327 SXQJJYRSGXSPKE-UHFFFAOYSA-N 497.599 4.428 10 10 JICE Cc1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347545 VSVNZDNKXCFRKG-NDEPHWFRSA-N 464.569 4.413 10 10 JICE CCCC[C@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862141784 LSHQFVOTFHTWLV-WXQAMHPUSA-N 470.013 4.386 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(CC)cc1)[C@H]2c1ccc(O)c(O)c1 1864020690 FJLODYSJBGBXNA-HJPURHCSSA-N 490.604 4.401 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3ccc4ccccc4c3n2)c2nccn2C)cc1 1866513902 WBHLJXDIBQCIMG-XMMPIXPASA-N 451.530 4.413 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1867308208 CKNNRXXVOZKNMT-QFIPXVFZSA-N 477.436 4.133 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868720764 TXSMMXWJYYXKRO-VWLOTQADSA-N 495.664 4.386 10 10 JICE COc1cccc(OCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)c1 2293556336 DSTDFYKGRNKXKR-UHFFFAOYSA-N 466.378 4.404 10 10 JICE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 2297346490 OQZATHIFGCDKBV-UHFFFAOYSA-N 476.967 4.247 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 2314414281 VCCGVLUXEKGODZ-UHFFFAOYSA-N 472.636 4.067 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323808856 JFAAWEMNOIKKFJ-JTQLQIEISA-N 482.830 4.216 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc(C(=O)O)cc1 15044452 UQRAXSBIOVBFBN-RGEXLXHISA-N 470.572 4.491 10 10 JICE C=CCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33507177 JKVAZKZLCMAFPL-PDGQHHTCSA-N 454.621 4.381 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812241 BPQJYZFYHIGXJX-XXEDUFPJSA-N 470.664 4.192 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989649 JTMOLJBCQJOMJS-QNGOZBTKSA-N 478.643 4.092 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 96569862 ABNIHINOWXEOIG-PUYZJMEQSA-N 498.586 4.046 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526282530 NJWYMCVEYNJPMT-HSZRJFAPSA-N 459.458 4.049 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc3c[nH]nc3c2)[C@@H]1c1ccc(O)c(O)c1 526284825 PTJXDTAWPNOAEL-HSZRJFAPSA-N 473.485 4.439 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 1084484538 FRAQMTLJPNMECW-WQRHYEAKSA-N 470.913 4.450 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(F)F)CC1 1690815261 LAKLGKGNNCYIBC-UHFFFAOYSA-N 486.567 4.041 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)C1 1722749462 AUCSCOJZGMNQON-DEOSSOPVSA-N 492.668 4.472 10 10 JICE C[C@@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 1772724918 YLJYJYIFFSORSC-XXXRSFMGSA-N 474.648 4.235 10 10 JICE COc1ccc(N2CCN(C(=O)COc3cccc4c3ccn4Cc3ccccc3)CC2)cc1 1860338586 KWODLNBMBPCQAJ-UHFFFAOYSA-N 455.558 4.426 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CC(C)C)C2=O)cc1 1873164528 GKQHZLXTDPUIHT-UHFFFAOYSA-N 457.574 4.499 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3ccccc3)C2=O)cc1 1873165168 GWEZOENYMURSJD-UHFFFAOYSA-N 471.601 4.431 10 10 JICE CCOCCCN1C(=O)C(NCCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169051 WTSRFMUHPGNJQH-UHFFFAOYSA-N 477.630 4.494 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)C)c(C(=O)OC)c1I 2079983520 FAIRXFRLSJRFOK-ZDUSSCGKSA-N 458.296 4.111 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)nc1 2294229315 JNARCVDXDMNKBQ-UHFFFAOYSA-N 495.402 4.391 10 10 JICE O=C1C(=CNCc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1nc2ccccc2s1 2297302627 ACEMJMQSPQUFLM-UHFFFAOYSA-N 454.511 4.450 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccccc5C)nn4)C3)CC2)cc1 22485333 VGNSBJFCAXSDAJ-JOCHJYFZSA-N 471.605 4.026 10 10 JICE Cc1nc2c(cc(OCC(=O)NCc3ccc(N4CCOCC4)cc3)c3ccsc32)s1 108806639 PGRSWOMIUKEDBS-UHFFFAOYSA-N 453.589 4.351 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1 170549568 IMNDVHXVQJZZAS-UHFFFAOYSA-N 471.604 4.490 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2)c1 1860866811 FOJJIVAKUYSMNQ-UHFFFAOYSA-N 466.541 4.467 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865035317 QOZLRDOCLLUFCO-OAQYLSRUSA-N 470.614 4.390 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc3c(n2Cc2ccccc2)CCC3)c2nccn2C)cc1 1866251731 FKHONGMGVCQAAQ-AREMUKBSSA-N 453.590 4.344 10 10 JICE CCC[C@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866595018 DAQOXECTWPCAHR-QHCPKHFHSA-N 472.516 4.457 10 10 JICE CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867050122 JAPNWIHDCUWFTG-AKFKNWHVSA-N 466.537 4.489 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867778540 UOWPANMUUAXRGC-FQLXRVMXSA-N 498.671 4.437 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867986754 QIRVFJHAHXAGON-UHFFFAOYSA-N 479.600 4.217 10 10 JICE CCc1nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079988301 YMYTUZDMLHTRHB-INIZCTEOSA-N 472.323 4.186 10 10 JICE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163149532 KRPHXNFDBXOHKQ-LSYYVWMOSA-N 464.654 4.499 10 10 JICE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296664433 AZSOBCMLCXWUEG-CYBMUJFWSA-N 484.418 4.097 10 10 JICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314740472 JFXFEEYFFLREHS-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)ccc1O 2314831890 VBPGABMGSBTIQN-UHFFFAOYSA-N 456.589 4.089 10 10 JICE Cc1ccccc1OCCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 20356595 VWVXWFWILJSAHR-DXGQZUNLSA-N 476.606 4.328 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc4c(n3-c3ccccc3)CCCC4)CC2)cc1 25760605 NVFHFNOQCJFGSP-UHFFFAOYSA-N 462.619 4.201 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C)CC3)nc12 33458392 ZLCXVOVTQAVAAO-RGEXLXHISA-N 468.648 4.383 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(-c4ccccc4)c4c(C)nn(C)c4n3)CC2)cc1 45992199 IULBXGYNISRFQN-FQEVSTJZSA-N 485.588 4.068 10 10 JICE O=C(c1cccc([C@@H](c2ccc(Br)cc2)N2CCCCC2)c1O)N1CCOCC1 59500754 YIHIJUBGLHGTFU-OAQYLSRUSA-N 459.384 4.202 10 10 JICE Brc1ccc(OCc2nnc(N3CCOCC3)n2CCCSc2nccs2)cc1 1538960149 SGPKMSGDPRTAKT-UHFFFAOYSA-N 496.456 4.095 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O 1644658096 YIXBQWCTXFZFKH-OAHLLOKOSA-N 452.979 4.239 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008475 KYBNEQWPVLGZOG-OAQYLSRUSA-N 482.968 4.246 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665629 DRKGICCBNLRIMB-QQTULTPQSA-N 483.568 4.241 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)N2CCCCC2)cc1 1866073400 LEGUJOHJNRSFNF-QHCPKHFHSA-N 452.986 4.205 10 10 JICE CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650233 MTURYYRIPHWJRJ-UHFFFAOYSA-N 486.576 4.047 10 10 JICE O=C(O)C[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951956097 AGKLLEUDPRYPFB-OAHLLOKOSA-N 463.486 4.291 10 10 JICE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)cc(F)c2O)C(F)(F)CC1 1966027925 KWJCITKPIQUQIM-AWEZNQCLSA-N 453.299 4.418 10 10 JICE CC(=O)N(c1cccc(Cl)c1)c1nc(C=C2SC(=S)N(CCN(C)C)C2=O)cs1 2040494968 BCEFVHMRLHCHJQ-UHFFFAOYSA-N 467.041 4.244 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(C(=O)O)c1I 2080013129 YRSGMBRNIRJUJG-ZDUSSCGKSA-N 456.280 4.167 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 2294204845 JSYZXVVNVOMYKU-UHFFFAOYSA-N 463.471 4.085 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294259194 RFKVTUQDNZYYHP-UHFFFAOYSA-N 497.326 4.239 10 10 JICE Cc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2297561085 JPZOPNOTNVFAIM-UHFFFAOYSA-N 493.507 4.008 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1)C(=O)O 2314929440 MPZBXLVNKDJYIY-SFHVURJKSA-N 456.545 4.293 10 10 JICE CCCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 33424316 LLGWHPZVMUKZEH-URICHJNWSA-N 468.560 4.264 10 10 JICE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3cc(C)c([N+](=O)[O-])cc32)S1 58871000 XTIVMHBKSVKPBA-UHFFFAOYSA-N 466.562 4.183 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1C 95546048 RAUQQKLGGIPWNQ-XKZIYDEJSA-N 461.493 4.421 10 10 JICE Cc1cccc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3CCCO)c2C)c1 107842038 DCVZMSKVHTXCJU-UHFFFAOYSA-N 461.587 4.470 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)cc2)o1 206725701 AMQLKVODQVUMSP-XDHOZWIPSA-N 482.562 4.338 10 10 JICE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 792099321 CJOJZDFQJBRWGP-RUZDIDTESA-N 462.521 4.495 10 10 JICE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Cl 1083991877 SNWBYPVDSSDLMZ-ATVHPVEESA-N 464.861 4.361 10 10 JICE Cc1nn(C)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 1084582756 WDUYYPKIXHGVCH-HYARGMPZSA-N 473.577 4.084 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC12CCCCC2 1690850767 MDFWPHUHMUOPTQ-UHFFFAOYSA-N 484.664 4.492 10 10 JICE Cc1cnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344787 GDSULGQQVZKLHU-UHFFFAOYSA-N 455.543 4.368 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)ccc21 1860598109 UFLMCRWMAPMJPA-UHFFFAOYSA-N 474.463 4.231 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020687 FIICSLMECOTBRM-QHCPKHFHSA-N 484.556 4.218 10 10 JICE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865894194 RSDQEHRSZSSRJO-CLOONOSVSA-N 476.621 4.104 10 10 JICE CCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867837423 AKLZMLSUJGAAJK-LOSJGSFVSA-N 468.617 4.134 10 10 JICE COc1ccc(CCN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167119 SNFYEMVIYJFCPK-UHFFFAOYSA-N 485.584 4.186 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422228 MGACNPJACVFEGO-UHFFFAOYSA-N 476.964 4.076 10 10 JICE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCC 1873553492 ZYKYBVOEXFURDM-UHFFFAOYSA-N 478.641 4.439 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccccc4F)c3)CC2)cc1 1874724040 XEPJTWQREVDRCA-UHFFFAOYSA-N 461.537 4.482 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(N(C)C)cc4)c3)CC2)cc1 1874725550 DQCMVODQBDLUIQ-UHFFFAOYSA-N 486.616 4.409 10 10 JICE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106877108 IMEOZDGPPPYVMO-QGZVFWFLSA-N 460.619 4.398 10 10 JICE CCN[C@H](c1ccc2c(c1)CCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163136736 WJKCZJJZUHCICC-NAKRPHOHSA-N 464.654 4.499 10 10 JICE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 2293806420 RGKOOMATFPFUFD-UHFFFAOYSA-N 450.951 4.282 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC(C)C 2297302835 WNKKAWNXTFCIDB-UHFFFAOYSA-N 465.731 4.360 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N12 2297341021 FJXFRHTUTGFXBV-UHFFFAOYSA-N 453.505 4.113 10 10 JICE COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Br)c1 20236746 VBHSVKILYUDPEC-LEJACGOASA-N 482.290 4.127 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 20356357 PSWYLVHWYFLXJW-FAXLCBLLSA-N 452.971 4.420 10 10 JICE O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 33529015 YSBFVZBLCDKCSO-MOSHPQCFSA-N 484.509 4.399 10 10 JICE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 33650786 QFINEBURWHPUPH-LWCDXBROSA-N 480.546 4.109 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)c1ccccc1Cl 35960315 FZXVAEOHKNVENE-VWLOTQADSA-N 493.007 4.453 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152187 XIHHMDBWUUFUTN-AQTBWJFISA-N 457.533 4.224 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526282531 NJWYMCVEYNJPMT-QHCPKHFHSA-N 459.458 4.049 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3Cl)CC2)cc1 1861913431 BNVGZCUZXNRZSI-RUZDIDTESA-N 477.992 4.039 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCOc3ccccc3)c3ccccc3)CC2)cc1 1862222733 AVSIAJPONNJZBL-NDEPHWFRSA-N 487.600 4.061 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033061 QWACNHIUSDQOBM-HXOBKFHXSA-N 488.588 4.107 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@@H](CCC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265376 FFIYYADJCJSOFJ-QHCPKHFHSA-N 482.536 4.407 10 10 JICE CCCCOCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166324 LOALVDIVIKTUSV-DEOSSOPVSA-N 479.621 4.149 10 10 JICE CCCCn1c(C(=O)NCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580127 GREJYUKWEXHMTC-UHFFFAOYSA-N 498.631 4.497 10 10 JICE COc1ccc2c(C)c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1 1874179244 VFFAICKGEVWJIQ-UHFFFAOYSA-N 453.450 4.067 10 10 JICE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]1c1cc(Br)cc(Br)c1O 1952826178 VJDLHIFOFOVXGK-JOYOIKCWSA-N 465.138 4.300 10 10 JICE Oc1c(F)cccc1Cn1nc(Br)c(I)c1C(F)(F)F 2079161122 QHEWLEXETQBBQI-UHFFFAOYSA-N 464.982 4.162 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079844439 MLKALBQBAAEVAS-ZDUSSCGKSA-N 496.223 4.308 10 10 JICE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2296728722 JNNKZPBLTOENIY-MRXNPFEDSA-N 480.615 4.024 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)COC3=O)o1 2297311179 MWVYMGKKHTVCJH-UHFFFAOYSA-N 455.253 4.385 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1Br 2297347605 MWANFPLBLWCDAV-UHFFFAOYSA-N 498.333 4.366 10 10 JICE COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 2297458279 GRDBUNLKDCADJA-UHFFFAOYSA-N 469.566 4.355 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468782 HWJWYFDNCCGFGB-GBWYYYKWSA-N 462.546 4.356 10 10 JICE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 20356287 OWBJWJSDTMYEMZ-JRNAOYQWSA-N 489.601 4.434 10 10 JICE Cc1cc(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 33275061 BFHOCFSMJOXSAZ-UHFFFAOYSA-N 486.595 4.443 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OS(C)(=O)=O 33446935 IUXKOZFEBFXQPM-MHWRWJLKSA-N 469.993 4.401 10 10 JICE CCCOc1ccc(/C=C2\SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 33863618 WPJJPAPKNHWJOJ-PGMHBOJBSA-N 452.536 4.176 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413321 NLPBEOWECHYKHU-VWLOTQADSA-N 472.501 4.230 10 10 JICE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)cc1 1859573075 CYLLBYUHSUUWQC-UHFFFAOYSA-N 484.603 4.132 10 10 JICE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860709100 KJGKDVIWOFPYSL-UHFFFAOYSA-N 455.558 4.427 10 10 JICE CC/C(=C\C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866683967 IQJLMNVWSHPGTH-GROYHEBESA-N 482.536 4.407 10 10 JICE CCCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871102886 CVCZGABTBPXTGO-UHFFFAOYSA-N 462.594 4.325 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873165455 JRTCEAQENQXVBV-UHFFFAOYSA-N 487.600 4.051 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CNc1ccccc1I 2313501940 PQSNAMPOYZDHOC-UHFFFAOYSA-N 496.351 4.291 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 2313559415 XZTJOQGLMHBLFC-UHFFFAOYSA-N 491.544 4.241 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1 11858072 KFKRZCRUQFMURC-CYBMUJFWSA-N 459.549 4.118 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 16922712 KCTLBECEEDFFBL-SXGWCWSVSA-N 495.485 4.132 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33899138 YBENCIXUHMXBFM-VCHYOVAHSA-N 478.555 4.202 10 10 JICE COC(=O)[C@@H]1C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CN1Cc1cc(Cl)ccc1O 55041946 BZCIIBXRRQCAAH-PKTZIBPZSA-N 478.976 4.110 10 10 JICE CCOc1ccc(NCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 59382202 HUEXQHPQYFTBFC-XDHOZWIPSA-N 460.577 4.382 10 10 JICE CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 110337411 WBGBVKYQFQWJEV-HSZRJFAPSA-N 460.500 4.076 10 10 JICE C=CC(=O)N1CCC(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)(c2ccccc2)CC1 1557818846 LWWDONOJNSIWJW-UHFFFAOYSA-N 455.602 4.499 10 10 JICE Cc1cccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860587120 FPZMVDWCFMEZIB-UHFFFAOYSA-N 452.510 4.261 10 10 JICE Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1860591365 OUVWRUUVIOMEGB-UHFFFAOYSA-N 496.563 4.335 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1cccc(F)c1 1865679480 PBXYFFCEVLAZNN-NDENLUEZSA-N 459.433 4.335 10 10 JICE CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867050125 JAPNWIHDCUWFTG-ZDXQCDESSA-N 466.537 4.489 10 10 JICE CCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867850928 JZKWWEHMOAWWDG-LOSJGSFVSA-N 468.617 4.134 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 1869223004 ZQLVRICJKHVEBS-AREMUKBSSA-N 486.664 4.257 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4cccc(Br)c4)ncc3[N+](=O)[O-])CC2)cc1 1871305046 WZYSBXSWEUPYRR-UHFFFAOYSA-N 485.342 4.226 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873169914 HVLZXAWOCHKXAT-UQBPGWFLSA-N 474.649 4.437 10 10 JICE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873420987 AUGLXMFFCKWVBU-UHFFFAOYSA-N 472.589 4.246 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 2205552336 YNJMJZIOIFLYRC-SANMLTNESA-N 464.654 4.498 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCCCOc2ccccc2)cc1 2297500273 WTOFDQZNHCGOAL-UHFFFAOYSA-N 460.461 4.340 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Oc3cc(Br)ccc3C=O)C2=O)cc1 2314397468 PNNTYZPZIAYHAM-UHFFFAOYSA-N 492.372 4.077 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2314650556 OGYBOWCRHOSYEH-CQSZACIVSA-N 463.558 4.052 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828228 RNUCFEAMKCQQGM-UHFFFAOYSA-N 468.478 4.347 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641051 VHXKEYRYXWPQPL-IXFSTUDKSA-N 458.580 4.226 10 10 JICE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)c1 20356586 IHGPNDFMGDKCQF-YKYBXDQRSA-N 476.606 4.247 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C(=O)N=C2S1 33417300 OXFSQHFCHSMMJX-DZLJMLGJSA-N 498.586 4.272 10 10 JICE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 1084125620 IEXJNYFICQCJOH-QNGOZBTKSA-N 459.458 4.122 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(CN(C)Cc4ccccc4)c3)c2)CC1 1128144572 PUWLXWDUCULIOY-UHFFFAOYSA-N 456.590 4.239 10 10 JICE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)=O)CC1 1705510607 ULLKVQNLYJSESK-UHFFFAOYSA-N 458.610 4.215 10 10 JICE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705808400 LSDYZJWBBCLJJO-UHFFFAOYSA-N 463.630 4.221 10 10 JICE CC(=O)Nc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860343450 BGUSVQDDRDDSQO-UHFFFAOYSA-N 477.524 4.171 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868872430 OFPPJUINRHXKAL-UQBPGWFLSA-N 484.040 4.476 10 10 JICE CCCCC[C@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873167019 OOXGOJKAOYUMMK-QHCPKHFHSA-N 478.637 4.259 10 10 JICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cc(Cl)ccc1O 2025355048 OOLSLGLDAJQHTK-UHFFFAOYSA-N 457.999 4.333 10 10 JICE C[C@@H]1C[C@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CN1Cc1ccccc1 2194863473 LLZQNTOIJODVDR-LYZGTLIUSA-N 464.654 4.456 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2294229327 KOTGBDYCXPNOBQ-UHFFFAOYSA-N 498.314 4.449 10 10 JICE O=C1C[C@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2314832337 FONDPDSSWDCAGI-HNNXBMFYSA-N 462.474 4.239 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)ccc1OC 2321734455 CTIBSJDUKWCKPM-UHFFFAOYSA-N 456.589 4.336 10 10 JICE COc1ccc([C@@H](CN2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)N(C)C)cc1 2323880122 UALHDARHJCSPOO-GOSISDBHSA-N 458.605 4.217 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4cc(-c5ccccc5)nn4c3C)CC2)cc1 9609307 BFDNJFFHVPCDRB-UHFFFAOYSA-N 469.589 4.303 10 10 JICE O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 33549979 MOZZSWSDLYSAEX-NSIKDUERSA-N 467.410 4.491 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1 33734814 QTSFREWIKVCYLL-VTGHKQSHSA-N 499.552 4.215 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 54421878 QLNWTHYMIYXCAH-NRFANRHFSA-N 454.592 4.417 10 10 JICE CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)c1 97492634 VZRKTBWOUPFVJP-LSZLNTRYSA-N 471.498 4.186 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3nc4ccccc4s3)C2=O)cc1 206726291 KZZRSHVXVDAVGO-LDADJPATSA-N 469.613 4.213 10 10 JICE CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CCOC2)C1 1772593774 FLTYKXCCCAPRLV-IBGZPJMESA-N 496.562 4.172 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccccc4F)CC3)ccc21 1860587694 OJXKFCMDTMWQBG-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCCC[C@@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862206792 HWMZHAXYFAEAGO-AREMUKBSSA-N 495.664 4.495 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(C)c4)n(-c4ccccn4)n3)CC2)cc1 1862333664 CEMSCYYEWHZFBU-UHFFFAOYSA-N 483.572 4.222 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c(C)c1 2038162741 BYAQIPNAYXPBEE-UHFFFAOYSA-N 460.559 4.159 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2294133708 BLVOPNHVKDDGJN-UHFFFAOYSA-N 464.865 4.322 10 10 JICE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1 2296056366 MGCAPHQWTANQEU-UHFFFAOYSA-N 474.590 4.034 10 10 JICE COc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)c1 2297349531 ZJWDALKHYPVMNO-UHFFFAOYSA-N 472.588 4.333 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CC=C[C@H]32)CC1 14471002 UFMFRVOEBNSNNA-JKSBSHDWSA-N 452.942 4.462 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)sc2c1 39875022 DHYMCKYWXXYJDM-MFOYZWKCSA-N 455.586 4.453 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)c1 526284142 KRRDDECVQQSULG-QHCPKHFHSA-N 459.458 4.049 10 10 JICE CCN1C(=O)C(=CC=c2c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)N(CC)C1=S 1082889396 UTTRKGLGOPRNSA-UHFFFAOYSA-N 467.594 4.264 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)CCC(C)C)CC1 1690835286 YTNXSRZWGGQEMB-NDEPHWFRSA-N 492.668 4.208 10 10 JICE COc1ccc(N2CCN(C(=O)CCN(C(=O)CC(C)C)c3cc(C)cc(C)c3)CC2)cc1 1858112850 XFSVZDKUPDFGNG-UHFFFAOYSA-N 451.611 4.430 10 10 JICE Cc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)cc1 1860895972 YOJSOLBZNCDTLN-UHFFFAOYSA-N 456.590 4.271 10 10 JICE C[C@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866711665 FWJLTAXHWQHDOH-SBUREZEXSA-N 466.537 4.489 10 10 JICE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873166397 OHXLTJADGKHHQC-UHFFFAOYSA-N 470.617 4.224 10 10 JICE CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650106 BNYNTTGIRIBLLH-UHFFFAOYSA-N 470.577 4.347 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)cccc21 1874018385 LFPQTSBIEYCZNY-LJQANCHMSA-N 477.520 4.434 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(=O)c2cc(Br)ccc2o1 1890780880 HFZKVJKLKIDDLD-YJBOKZPZSA-N 453.336 4.474 10 10 JICE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 2084780991 WWGQBFREQXMIMA-KGLIPLIRSA-N 451.814 4.249 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 2296936013 UUCUAJMTBZUDRY-UHFFFAOYSA-N 484.443 4.403 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352559 ASVZIBGEUNDTSN-UHFFFAOYSA-N 477.521 4.107 10 10 JICE Cc1cccc2cc(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650421 FYXVJLCPASZLBG-UHFFFAOYSA-N 468.648 4.102 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 2314766756 BUMRZWAFHFKGGU-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 2323756388 KWGDJDRRRVXGMN-UHFFFAOYSA-N 484.599 4.064 10 10 JICE Cc1ccc(-c2c(S(=O)(=O)c3ccccc3Br)nnn2-c2ccc(N)cc2)cc1 11730780 HMTWOJYUSNXVOJ-UHFFFAOYSA-N 469.364 4.420 10 10 JICE O=C(c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21)N1CCOCC1 14461036 IXXNHMYMMNQSPZ-JLDZCNIISA-N 455.352 4.454 10 10 JICE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 35109432 ZGQNRXLFNOWGCC-AUQXIXNCSA-N 457.573 4.079 10 10 JICE COc1ccc(N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 39845366 VGFXWZXJZSSGHT-UHFFFAOYSA-N 479.558 4.411 10 10 JICE Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 96868623 QHFCDOSAYGBPQL-DEDYPNTBSA-N 471.966 4.160 10 10 JICE CN(C)C(=O)COc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917636538 CIPRNGHKRDRAFD-HSZRJFAPSA-N 471.517 4.313 10 10 JICE CC(=O)N[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)c1cccc(Br)c1 1287661609 TTZXEYXBNLLEOM-QFIPXVFZSA-N 454.368 4.350 10 10 JICE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1631425782 OQSPVGCDFCJDSK-AVRDEDQJSA-N 458.986 4.115 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008413 KAGZULYNACYLEV-LZBHBKQYSA-N 488.588 4.290 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029631 RVKQAXJJORFVBB-QHCPKHFHSA-N 488.588 4.252 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869151554 FKHSEXRUHAOBDV-SZPZYZBQSA-N 473.621 4.401 10 10 JICE CN1CCN(Cc2ccc(NC(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)cc2)CC1 1872743575 BSYWGFKAICJFDY-UHFFFAOYSA-N 468.605 4.296 10 10 JICE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873420134 HBJSVHXWKFAUIE-UHFFFAOYSA-N 459.546 4.331 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)c(F)c3)n4C)CC2)cc1 1873650094 BAOOTRHAXMRCPE-UHFFFAOYSA-N 474.540 4.003 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CC2)c(C(=O)OC)c1I 2079981803 RNOCARNDMPZZEB-CQSZACIVSA-N 454.308 4.474 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)ccc(N)c2C1 2163164849 KIFUNLDSDGCWOQ-JTSKRJEESA-N 472.630 4.398 10 10 JICE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 2297461290 LFGFDJQUGSNCMM-UHFFFAOYSA-N 454.895 4.207 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1C 2313557028 RJEFPYOEDUCDFI-UHFFFAOYSA-N 457.486 4.106 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2314650405 DZYOJUQGACPLEC-ZDUSSCGKSA-N 496.906 4.027 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([S@](=N)(=O)O)cc3)o2)SC1=S 2314650697 WYUGYJVGPHYICU-CQSZACIVSA-N 498.629 4.233 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 13641635 UNLIYHKCCUVFOA-YZZKKUAISA-N 452.551 4.305 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 33395621 NSUHVCAAEHBQPB-HMMYKYKNSA-N 484.599 4.492 10 10 JICE CCNC(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 34859051 VQWCVOBIVSNHMI-UHFFFAOYSA-N 492.644 4.399 10 10 JICE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066768 BZYJXELJCHKYEJ-STZFKDTASA-N 496.658 4.288 10 10 JICE Cc1ccc(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)o2)cc1 40322418 RNVZLLMTJCRFRU-QFIPXVFZSA-N 482.602 4.308 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1O 40940558 LTHGUTSEIGVALM-YBEGLDIGSA-N 493.404 4.408 10 10 JICE COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 103040855 YQQZMIUJZMDBKE-PCXKXAPESA-N 465.600 4.125 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](NC(C)=O)CCO3)cs1 170549523 NYSREXZTLXUVMX-MRXNPFEDSA-N 493.994 4.233 10 10 JICE COc1ccc(OC)c(N2C(=O)/C(=C3\C(=O)N(C)c4ccc(Br)cc43)SC2=S)c1 197655422 YFVDZGJHPUXTFN-WUKNDPDISA-N 491.388 4.219 10 10 JICE COc1ccc(N2CCN(Cn3nc(CN4CCCCC4)n(-c4ccc(F)cc4)c3=S)CC2)cc1 732416471 FBWBNHJFLBCJHU-UHFFFAOYSA-N 496.656 4.317 10 10 JICE Cn1c2c(c3cc(Cl)ccc31)C[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CC2 1858153409 FWSMTCRBCTUBAY-GOSISDBHSA-N 465.981 4.010 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)cc4C)c4ccccn34)CC2)cc1 1858225053 OSVLDNQKYCYYHL-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccccc1 1860760063 QVFYHXGTPUEULE-UHFFFAOYSA-N 452.532 4.164 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5cccc(C)c5)[nH]c4c3)CC2)cc1 1862099312 VMVGKUNRXLDLOE-FQEVSTJZSA-N 497.599 4.014 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992379 PPSVKTPUQHSYAW-OYRHEFFESA-N 489.620 4.101 10 10 JICE CCCNC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871132658 CWKBENCOZHBQSL-UHFFFAOYSA-N 478.593 4.146 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873168929 QEYAWBXXZPDBEI-UHFFFAOYSA-N 471.605 4.452 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C=O)c1I 2079856869 VUCAXYRVUFFILQ-LLVKDONJSA-N 454.186 4.033 10 10 JICE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(=O)O 2079938921 IPRHVOABTAMRJC-KRWDZBQOSA-N 454.308 4.460 10 10 JICE CC(C)(C)OC(=O)N[C@@]1([C@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106821057 QLJPEYDPQCNRDK-SQHAQQRYSA-N 451.611 4.490 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@]1(CN)CN(C(=O)OC(C)(C)C)C1(C)C 2194852318 ZTUSWSGDTKSXBR-AREMUKBSSA-N 474.646 4.191 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 2293294612 ONLLWLZUNZAOQR-UHFFFAOYSA-N 458.514 4.395 10 10 JICE Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2294095529 VTEZQWIOGGWBFG-UHFFFAOYSA-N 496.498 4.394 10 10 JICE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C1 2296706635 BQRYIMYOMVVOOV-HOTGVXAUSA-N 480.615 4.171 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1 2297302670 QJLIEMOOYAJBBI-UHFFFAOYSA-N 483.352 4.368 10 10 JICE Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2cc(Br)ccc21 2313623886 GZRAPRRCQGNYMY-UHFFFAOYSA-N 498.402 4.048 10 10 JICE COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 20236264 UIRSEHNXXZBZGY-JUWLHOMFSA-N 483.908 4.265 10 10 JICE COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c1 20356545 HIMAMSIBRCGXHO-NHOPXOSBSA-N 462.579 4.165 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2Br)o1 103747948 GXGPMSPNVCTETO-LDADJPATSA-N 486.347 4.163 10 10 JICE CC(C)(Cc1ccccc1Cl)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 728750197 CAPMINQFJNQTJJ-UHFFFAOYSA-N 497.018 4.416 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 1084358592 RNJKEHXZUZFVNA-XSFVSMFZSA-N 452.507 4.185 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4Cl)c4ccccn34)CC2)cc1 1858228774 FVNDKEOEOVXHGD-UHFFFAOYSA-N 489.963 4.211 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143765 ZVWQYVZZZSKBKW-FICPYRFJSA-N 461.606 4.172 10 10 JICE CCc1ccc(OCCCC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862229867 HUGKKHQHGFHSBN-NDEPHWFRSA-N 481.637 4.050 10 10 JICE CCOC(=O)c1cccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872874171 RSSUEGKFGVXDDI-UHFFFAOYSA-N 474.557 4.413 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCSCC3)nc12 2040498652 NQNKOCMDFISSCK-UHFFFAOYSA-N 486.688 4.090 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 2293993203 ZGIQZGWLTSGRDZ-UHFFFAOYSA-N 460.446 4.305 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OCC)cc3)SC2=S)cc1 2296882313 OGNSMPGBCFLBGH-UHFFFAOYSA-N 484.599 4.492 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O 2313559700 NEWJHOJUYOAZNI-UHFFFAOYSA-N 456.079 4.128 10 10 JICE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1 2323686604 UHVCDUXHZPLZQY-UHFFFAOYSA-N 459.401 4.042 10 10 JICE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 1277015 SITBSXPDEXRZDH-RVZJCZPVSA-N 457.573 4.345 10 10 JICE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 210444946 VRRABQZTJQRSFR-UYRXBGFRSA-N 459.545 4.353 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210675997 JBBIVSNOBUYXRR-YBFXNURJSA-N 465.556 4.185 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)c1OC 526613485 JBEDEJVQWYCQMI-QHCPKHFHSA-N 461.470 4.375 10 10 JICE Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)c(C)n1-c1ccccc1 728726837 ZEPRDVAUBUFYNY-UHFFFAOYSA-N 495.532 4.402 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860760664 BYLLNLDJKKLRAF-UHFFFAOYSA-N 496.585 4.269 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc(F)cc3)c3ccccc3)CC2)cc1 1861953370 PTJVOIANHMAPHA-GPLAWQGUSA-N 473.548 4.054 10 10 JICE Cn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(F)c1NC(=O)CCc1ccccc1 1871333023 AYBVJLASHONIJL-UHFFFAOYSA-N 496.498 4.158 10 10 JICE COCCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420875 YKMUGKIFBYYOQI-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CC(C)OC(=O)c1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873991212 NGJGTDQTZMPCAF-UHFFFAOYSA-N 466.493 4.210 10 10 JICE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccccc1I 2313501926 OLPCNIJMKJHCRB-UHFFFAOYSA-N 497.339 4.470 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932262 LKIVHVIAKRJMHZ-CYBMUJFWSA-N 459.545 4.352 10 10 JICE O=C1C(=Cc2cccc(OCc3ccccc3)c2)SC(=S)N1CCCN1CCOCC1 2323707970 LHRRPIOBAPTFFQ-UHFFFAOYSA-N 454.617 4.189 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)CC1 2323858083 BMPWIHRUKHEUTM-UHFFFAOYSA-N 473.389 4.410 10 10 JICE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NCCN/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 16160663 XOEPUZOUSDPSAA-JZTLMNBPSA-N 497.386 4.086 10 10 JICE CN(C)c1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 21858318 WZAALGCVVAXGHZ-LJAQVGFWSA-N 466.585 4.438 10 10 JICE COc1ccc(N2CCN(c3ncnc(Oc4cccc5cccnc45)c3[N+](=O)[O-])CC2)cc1 40611145 BLJIMIDJPKFEHY-UHFFFAOYSA-N 458.478 4.061 10 10 JICE O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59567723 JNGAFLKEKLZXEI-UHFFFAOYSA-N 462.370 4.478 10 10 JICE O=C(Oc1c(I)ccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 205028807 GTTWUJPDVXIMRH-UHFFFAOYSA-N 454.219 4.286 10 10 JICE CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1)C(=O)O 1081156830 JXIKKORIONZLLT-LPGQDOADSA-N 454.573 4.322 10 10 JICE CC[C@H](C(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868839030 XBLWMHDACAOFCG-JYFHCDHNSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)C(C)C)CC2)cc1 1868869373 TZJYWVXSGYPJQS-DQEYMECFSA-N 484.040 4.332 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873165407 NAYKZLIXUIDUEK-UHFFFAOYSA-N 457.574 4.227 10 10 JICE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1C 1873425598 HJZABLCZJWAPDD-UHFFFAOYSA-N 498.627 4.235 10 10 JICE CCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548731 HHTGDMSDEGWPHW-SFTDATJTSA-N 490.652 4.295 10 10 JICE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873550706 MFHLDUHHNXHWRL-UHFFFAOYSA-N 478.641 4.295 10 10 JICE Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2)cc1 2293456923 DREWIXAIKNPUOI-UHFFFAOYSA-N 456.498 4.428 10 10 JICE CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)C1=Cc1ccc(OCC(=O)NC(C)C)cc1 2294082200 PSEKJFOIGYVMKX-UHFFFAOYSA-N 492.572 4.256 10 10 JICE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296546158 QMKINLOPNTYORJ-UHFFFAOYSA-N 456.637 4.465 10 10 JICE Cc1cccc(OCCOCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)c1 2297306645 OQAKBYRIGQSOHM-UHFFFAOYSA-N 474.560 4.209 10 10 JICE CS(=O)(=O)Oc1ccc(Br)cc1C=C1SC(=S)N(Cc2ccccc2)C1=O 2297500319 ZSXYTSAPKQICHT-UHFFFAOYSA-N 484.418 4.189 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2c(C)n(C)c3ccccc23)C1=O 2313562587 YFLOBZYPDSLTCE-UHFFFAOYSA-N 452.308 4.224 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CC(C)C)C2=O)c2ccccc21 2533306 NSURCXYPKQZIHJ-QZQOTICOSA-N 465.600 4.208 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 9265479 TYLOPBYEPOGFJP-WJDWOHSUSA-N 474.355 4.020 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475830 ZBPLABDQTAQSKZ-BSRJHKFKSA-N 455.536 4.302 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 33338211 NGNQOFFUNFOWPO-RQZCQDPDSA-N 488.334 4.352 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(Br)cc3)C2=O)c1 62049670 HNVREQQVTKXIQP-SFQUDFHCSA-N 477.405 4.089 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413058 UYZYIMOVZAXFMW-XMMPIXPASA-N 486.959 4.313 10 10 JICE CCCC[C@@H](CC)COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 725239022 JKMCGPMYIWZPKS-QTIYFYAGSA-N 472.534 4.436 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccccc2Br)SC1=S 1858592258 KOVHPGGPUXSITJ-VGVSSDJJSA-N 464.362 4.052 10 10 JICE COc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860343694 NRCQTTVQRQZRMN-UHFFFAOYSA-N 450.498 4.222 10 10 JICE CC[C@](C)(NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867842779 KRGVLZMGQUKYFT-IGKIAQTJSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccco3)CC2)cc1 1870611940 GKIABZPPJSTIFO-UHFFFAOYSA-N 463.578 4.165 10 10 JICE CCN(CC)CCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870871819 BRKHRKFEGQNMNB-UHFFFAOYSA-N 492.620 4.488 10 10 JICE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871726739 FDIONFXZBXBSQT-UHFFFAOYSA-N 483.620 4.159 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427655 UYPCHPIHFCNTRL-UHFFFAOYSA-N 498.583 4.109 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cc(Cl)cc(Cl)c3)CC2)cc1 1873533430 IGCVQTDGPLYUHZ-UHFFFAOYSA-N 482.371 4.423 10 10 JICE COC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079929736 ZCWALTSYIRNCFJ-INIZCTEOSA-N 454.308 4.295 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1[N+](=O)[O-] 2294216872 KZFVGMIGZYIDJI-UHFFFAOYSA-N 478.505 4.281 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2297329758 FPCUCJCVPAQPDX-UHFFFAOYSA-N 497.326 4.239 10 10 JICE Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)n12 2323865977 BMPWHECSBKJBTB-CYBMUJFWSA-N 463.993 4.255 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15047005 MPPJLKZGPACGQQ-XBTXGSBDSA-N 479.377 4.089 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)SC1=S 40938243 KFUFXKICHRTPMR-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)N(C(C)C)C3=O)o1 101457894 AMAZOHBIPIBVCJ-FYJGNVAPSA-N 483.480 4.455 10 10 JICE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1084401281 TWEZIAHTMBVOAR-PDGQHHTCSA-N 477.517 4.071 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1524066459 HBUAUBOYOXADJW-CVDCTZTESA-N 455.505 4.337 10 10 JICE CC(=O)N[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1 1628873854 OFRMRLVMEUJSQF-QFIPXVFZSA-N 458.400 4.275 10 10 JICE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)[C@@H](C)CC#N)CC1 1705967979 OQBIUNDNGBSCQI-IBGZPJMESA-N 473.625 4.350 10 10 JICE O=C(C[C@@H](CNC(=O)C(F)(F)F)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865983391 NPJBYWCCBYYLJJ-INIZCTEOSA-N 480.442 4.253 10 10 JICE COc1ccc(-n2nc(C)c3cc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cnc32)cc1 1866254889 BLLOCLUPIIWRDO-VWLOTQADSA-N 495.587 4.056 10 10 JICE COc1ccc([C@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1 1868156819 LNJYUVZBPVJQNS-AREMUKBSSA-N 496.563 4.499 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1869137233 BMTSEVNEKLHWTO-OAQYLSRUSA-N 487.604 4.097 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(-c4ccccc4Cl)n3)CC2)cc1 1869969104 DYIIBEZAVSQRKX-UHFFFAOYSA-N 468.989 4.241 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873165957 YAYBDEVYGJIEGH-UHFFFAOYSA-N 463.965 4.264 10 10 JICE O=C(N[C@]1(c2cc(Br)cc(Br)c2O)C[C@@H]1C(=O)O)OCc1ccccc1 1952774359 GRYGKDMNRLTTFT-ACJLOTCBSA-N 485.128 4.143 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2297349671 KFBRVGDNZJIRBQ-UHFFFAOYSA-N 470.572 4.434 10 10 JICE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2297349672 MADAFKIUIQSSAF-UHFFFAOYSA-N 498.586 4.128 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2314509717 XKMCFSILARDVJA-UHFFFAOYSA-N 497.598 4.042 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1nccs1 210758358 UTINZEOEIPJDOB-NTCAYCPXSA-N 462.578 4.452 10 10 JICE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 256037848 IQCDZZFKHNOOPT-UIOOFZCWSA-N 488.694 4.085 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526549100 ABGOJGILVBCQNV-QFIPXVFZSA-N 455.413 4.450 10 10 JICE COc1ccc(N2CCN(C(=O)CC3(CN4Cc5ccccc5C4=O)CCCCC3)CC2)cc1 1860216678 YWMRKFFREMHLHP-UHFFFAOYSA-N 461.606 4.340 10 10 JICE CCc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860592900 SIPSWDHLCNVYGK-UHFFFAOYSA-N 496.563 4.281 10 10 JICE O=C(CCNCc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860709108 KZGCQXGLXVDZHK-UHFFFAOYSA-N 463.331 4.343 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NC(C)C)sc(C)c1-c1ccc(Br)cc1 1860758276 JOAOWPUVIXPSSM-UHFFFAOYSA-N 453.358 4.126 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864013775 FYXQIXNTDNRDJV-ZJBJCVSYSA-N 482.625 4.292 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864014455 VKEYWSITLQFOLU-OAQYLSRUSA-N 470.614 4.294 10 10 JICE CCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542385 UPVWUJUKPNHLDJ-UHSQPCAPSA-N 494.680 4.393 10 10 JICE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867983762 SRZCFHBEVWHEMQ-UHFFFAOYSA-N 493.583 4.007 10 10 JICE CC(=O)N(c1nc(C=C2SC(=S)N(CCC(=O)O)C2=O)cs1)c1c(C)cccc1C 2040446416 GPXGIDKPPVJTHR-UHFFFAOYSA-N 461.590 4.120 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3c[nH]c4cc(OC)ccc34)C2=O)cc1 2297480314 JQXQYRLMWQXUBB-UHFFFAOYSA-N 495.626 4.135 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2313499144 QXDOBRBJWINPJT-IBGZPJMESA-N 476.573 4.271 10 10 JICE COc1cccc2c1O[C@H](C)C(C=C1SC(N3CCN(Cc4ccccc4)CC3)=NC1=O)=C2 2314450527 BEYPFBSEUVKIAK-GOSISDBHSA-N 461.587 4.191 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2314650355 BFTPPDYQUPOVJY-ZDUSSCGKSA-N 485.461 4.485 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O)C(C)=O 2314926985 WYNPPWMDGYDTSI-XLIONFOSSA-N 455.557 4.460 10 10 JICE CC(=O)c1ccc(NC(=O)C=C(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2320760433 PMENBFRIRDIYOF-UHFFFAOYSA-N 452.466 4.188 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 3000428 QXQUMTGAYBFIGN-MHWRWJLKSA-N 469.993 4.088 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)Cc4ccccc4Cl)o3)CC2)cc1 9117922 IHEXMZLSDQICOY-YTTGMZPUSA-N 472.994 4.353 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCC(=O)O 16915719 CIKVDOFWGIDAIR-YBFXNURJSA-N 457.529 4.157 10 10 JICE CN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1F 35962135 XUPHPTLJKPCSKV-JOCHJYFZSA-N 452.917 4.268 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](NC(C)=O)CCO3)cs1 170549502 UMQXNIKPEWSYSH-SFHVURJKSA-N 487.603 4.196 10 10 JICE O=C1C[C@@]2(C(=O)Oc3cc(O)c4c(ccc5cc(O)c(O)cc54)c32)c2ccc3cc(O)c(O)cc3c21 248068907 XESVOVUCORQWQK-MUUNZHRXSA-N 480.428 4.466 10 10 JICE biogenic CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359359778 ADCIKTXOHZLDIV-XMMPIXPASA-N 466.674 4.066 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)CSCc3ccc(C(C)(C)C)cc3)cc2)CC1 1625199535 YFAHHGAYYPYYLA-UHFFFAOYSA-N 453.652 4.202 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869066049 ZSCCSRKXSJGSNK-QFIPXVFZSA-N 487.648 4.406 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1C 1873421091 GJCAHNSSMOQUIF-UHFFFAOYSA-N 456.590 4.465 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422136 HZACPXGYVYFXAN-UHFFFAOYSA-N 490.991 4.384 10 10 JICE CC(C)(C)c1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc1 2314831159 DTCILRYRJDYNSO-UHFFFAOYSA-N 462.637 4.337 10 10 JICE O=C1/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 1103620 NSHXKNKAVFRJHR-VUODPORTSA-N 481.624 4.226 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 1265703 GOJDSTQWDOJIIA-FKSRIOLNSA-N 463.489 4.031 10 10 JICE O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(Nc4ccc5c(c4)OCCO5)c1c23 2457263 LIEBPAGFRZXOSB-UHFFFAOYSA-N 455.470 4.391 10 10 JICE CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)cc1 20731579 TZJIPJWKVRVWBR-UHFFFAOYSA-N 466.626 4.224 10 10 JICE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990206 GFWURZIJTNKVIG-HKWRFOASSA-N 488.679 4.057 10 10 JICE COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 57015860 QGDJDJHPIKVYOH-DFBJGRDBSA-N 465.619 4.447 10 10 JICE Cc1cc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)n1-c1ccc2c(c1)OCCO2 110376002 KHAHIIZFOJECSD-QHCPKHFHSA-N 473.533 4.437 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526524762 AJOXOFOBNZVSGP-QHCPKHFHSA-N 461.470 4.340 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)c1 526555941 LITUUTIJKPXTFE-JOCHJYFZSA-N 455.413 4.450 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2c(s1)C(=O)CCC2 727713421 AOFZZFGSNXVVTF-GXDHUFHOSA-N 463.631 4.344 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCC(C)C)[C@@H](C)C1 1741040456 BBECNTHRUFPJBF-QFIPXVFZSA-N 492.668 4.472 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)CC2)cc1 1862097760 VWRRYCGAYDRKFL-HXUWFJFHSA-N 497.599 4.014 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862255141 SLDSLJYRHVBKAW-UHFFFAOYSA-N 473.573 4.345 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869264929 KUAGJGZTTCKGGP-LJQANCHMSA-N 480.012 4.357 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)cccc21 1874179405 CETMDVSQLLFITE-CYBMUJFWSA-N 462.864 4.246 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296713684 QVXOFOANBNCOPE-UHFFFAOYSA-N 454.577 4.065 10 10 JICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2297312769 OCUYLTTZJIJELY-UHFFFAOYSA-N 466.588 4.434 10 10 JICE COc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2297335679 NWAGWDVFFYCPGD-UHFFFAOYSA-N 466.378 4.404 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S 2326945275 HJXHJJVMTDSJEU-UHFFFAOYSA-N 493.610 4.024 10 10 JICE CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2cc(C)ccc2O1 9406107 UEOOACJFEFHSKC-HSZRJFAPSA-N 464.610 4.187 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 15039875 XLOIRKGRDBAGQG-BOPFTXTBSA-N 493.404 4.480 10 10 JICE O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 32694304 VSCNSPALIZXJQW-ZSOIEALJSA-N 479.670 4.073 10 10 JICE Cc1c(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)c(=O)n(-c2ccccc2)n1C 33309073 PLXXXILDRZWHQL-SFQUDFHCSA-N 469.364 4.329 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)C3(c4ccccc4OC)CC3)c3ccco3)CC2)cc1 49486521 REQGLJSNSCVLOC-XMMPIXPASA-N 475.589 4.008 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)cc2)o1 206725546 JKCBWTQZDMKTRH-SFQUDFHCSA-N 470.601 4.260 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)s1 211939591 FXCDEEZUTSKFRU-GZTJUZNOSA-N 474.633 4.398 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 213176063 OBJAVNPVIWGCOZ-CYVLTUHYSA-N 481.599 4.423 10 10 JICE CCCCN(CCCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CCOC)n1 1867953873 NXZGVRMBKWVKPR-UHFFFAOYSA-N 455.647 4.407 10 10 JICE C[C@@H](NCc1cc(Cl)cc(Br)c1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1918985118 TYYSKIWDRFDKDB-GFCCVEGCSA-N 463.800 4.048 10 10 JICE COc1ccc([C@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080000285 RSANVPZHMBDDPJ-INIZCTEOSA-N 468.291 4.167 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2080003848 RWBZDLHQSHFGKW-QGZVFWFLSA-N 458.340 4.453 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@]4(C)C3)ccc(N)c2C1 2163166267 XWKIZXZBMDGDLB-QLXKLKPCSA-N 472.630 4.255 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2296056419 ASYJPWKRDWEVKV-UHFFFAOYSA-N 495.008 4.379 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cccc(C)c1 2296557129 JHFDTSICOLKNQC-UHFFFAOYSA-N 490.512 4.107 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 2314764549 GDZYFSMGOLONQG-UHFFFAOYSA-N 465.600 4.448 10 10 JICE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836587 HBNHHDUASHOUCY-VIFPVBQESA-N 454.396 4.134 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1F 34888389 KWPBTAXWJGGWKL-VCHYOVAHSA-N 453.520 4.273 10 10 JICE COc1ccc(O)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1 728983938 HWFBBPGCZGOFFB-INIZCTEOSA-N 488.993 4.366 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008675 PLAXZZNBFMMVGS-QHCPKHFHSA-N 474.561 4.044 10 10 JICE COc1cccc([C@H](C)CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867107908 SBHQGEAFHSHTQY-SJORKVTESA-N 470.525 4.108 10 10 JICE CC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867671597 WNGSAWBKDJFKSG-AZGAKELHSA-N 475.637 4.086 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867778541 UOWPANMUUAXRGC-URLMMPGGSA-N 498.671 4.437 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC(CN=[N+]=[N-])CC2)C1 2124541804 WNZHFYJUSULARO-DEOSSOPVSA-N 457.575 4.379 10 10 JICE CCCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2297344767 RAWZYOAFIPDUIK-UHFFFAOYSA-N 498.586 4.272 10 10 JICE O=C(O)COc1ccc(Br)cc1C=C1SC(=S)N(CCc2ccccc2)C1=O 2297349526 PRZMOAFDQMFXRY-UHFFFAOYSA-N 478.389 4.356 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 2297471305 KEGXXLGLTFCQCN-UHFFFAOYSA-N 461.591 4.275 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2297499577 NREWQSMGEMMKAH-UHFFFAOYSA-N 479.518 4.472 10 10 JICE Cc1c(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc2n1C 2297617208 DKTUAOPTWBTXMP-UHFFFAOYSA-N 454.349 4.081 10 10 JICE COC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314755184 XFHXCHIZTYXDOZ-UHFFFAOYSA-N 490.647 4.013 10 10 JICE CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 12474808 AJFDXRDPGRXIHV-SMKDVUIYSA-N 491.573 4.378 10 10 JICE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14543678 VWVBPTFXXFZMDU-RHQSAMMMSA-N 454.592 4.369 10 10 JICE Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccco4)C3=O)c2C)ccc1Br 16401661 INFARTUWHCZCEH-HSZRJFAPSA-N 484.350 4.408 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1[N+](=O)[O-] 33321804 DJEYXXNWDBWDAR-QPEQYQDCSA-N 462.281 4.038 10 10 JICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33525504 VCIZKJAKLBTFDO-LSPINASFSA-N 484.647 4.128 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 39835854 OVQBWAUSAKUBBV-QGOAFFKASA-N 495.582 4.170 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc5ncccc45)c3[N+](=O)[O-])CC2)cc1 40611249 BNHAGCWKLICJEG-UHFFFAOYSA-N 457.494 4.012 10 10 JICE O=C1C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 101973899 FONDPDSSWDCAGI-HVVQPJKBSA-N 462.474 4.239 10 10 JICE CCN(CC)c1ccc(-c2nn(CN3CCN(c4ccc(OC)cc4)CC3)c(=S)n2C)cc1 732415977 BDMZRNQJPIBOLS-UHFFFAOYSA-N 466.655 4.253 10 10 JICE CCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858849811 BTSJCWOFGODRTD-OAHLLOKOSA-N 473.485 4.222 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2nc3c(s2)CN(C)CC3)sc(C)c1-c1ccc(C)c(C)c1 1860767311 MYYZFQKWLVKVQE-UHFFFAOYSA-N 498.630 4.149 10 10 JICE CCN(CC)CCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162163 IQTKCNRIDHCBMY-UHFFFAOYSA-N 484.644 4.348 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccccc4OC)c3)CC2)cc1 1874720309 JRYKFJGQJURJKK-UHFFFAOYSA-N 487.600 4.280 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H]3CCCO3)nc12 2053515851 MVAUEOTUEDXOHI-KRWDZBQOSA-N 484.647 4.128 10 10 JICE CCN1CCc2cc([C@H](O)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106797480 BCOPWNBNGDEPCQ-IGKIAQTJSA-N 451.611 4.272 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2180963067 RJGATVZADPPYOC-OAQYLSRUSA-N 470.618 4.485 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1ccccc1Cl 2296551111 YZRHIFHGSKNILN-UHFFFAOYSA-N 453.857 4.026 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)ccc1O 2296881395 FJWPPIKNVGPDIC-UHFFFAOYSA-N 462.936 4.004 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2313557545 FYUIZXHIXQDNPL-UHFFFAOYSA-N 454.797 4.104 10 10 JICE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2ccccc2s1 2314488746 NLXHXZCUQMUOBD-UHFFFAOYSA-N 471.585 4.153 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2314506191 BLKRLRMCQNTETI-UHFFFAOYSA-N 495.582 4.170 10 10 JICE CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 2368405 RDJDDJZFAHQVDO-ZMIGGIFCSA-N 469.635 4.446 10 10 JICE O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 3070894 OYALATUSFJCDJQ-AREMUKBSSA-N 450.494 4.437 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc(I)c1O 33432416 BBEZVFPIHQDTPJ-LFIBNONCSA-N 497.379 4.449 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)CSc5ccccc54)cc3)CC2)cc1 33784251 WUZKXCCIAMVKDB-UHFFFAOYSA-N 473.598 4.297 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066674 LIZTYGVRLSXFLY-JAIQZWGSSA-N 482.606 4.460 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccccc3C=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413263 ZBLVBEJWZDAOSE-VWLOTQADSA-N 457.530 4.330 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)cc(C)c4)c4ccccn34)CC2)cc1 1858226956 RNWNILMPYYPHBQ-UHFFFAOYSA-N 483.572 4.174 10 10 JICE Cc1cc(Br)cc2c(O)cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)nc12 1866546745 RUSACEMVQNGXFI-QFIPXVFZSA-N 494.393 4.330 10 10 JICE CCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867674259 ZAUMIZDRANOZEL-BDYUSTAISA-N 489.664 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868842157 KTOONJCUEVIBMR-UIOOFZCWSA-N 465.638 4.233 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 1872720409 BQRSNZMHUVWTDQ-UHFFFAOYSA-N 472.994 4.439 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080037528 MZFXEIAOTBLNGD-HNNXBMFYSA-N 470.307 4.197 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1NC(=O)OC(C)(C)C 2106876838 GRNSEQFHHBVENH-OXJNMPFZSA-N 460.619 4.302 10 10 JICE COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 2296303785 DKGROZPCUUFPHV-UHFFFAOYSA-N 481.552 4.310 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCCc1c[nH]c2ccccc12 2296885530 YUNAOOIRAGJZLO-UHFFFAOYSA-N 455.992 4.381 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNC2CC(C)(C)NC(C)(C)C2)cc1 2297311019 HJAACQGWQRQAJL-UHFFFAOYSA-N 477.565 4.137 10 10 JICE CC[C@@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330440410 XFYXHFWHGURJET-JOCHJYFZSA-N 476.404 4.259 10 10 JICE COc1ccc(N/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(OC)cc3)C2=O)cc1 3656879 GSESWXDXTBILJW-CJLVFECKSA-N 459.527 4.365 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 16915024 BDVPYQCGLMBUFG-LZYBPNLTSA-N 480.361 4.327 10 10 JICE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(F)cc1 33559636 TVUHCGKTUZXUJY-QZQOTICOSA-N 493.541 4.176 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCCC1 35962114 XREJOJVJUIJWLN-HSZRJFAPSA-N 471.001 4.021 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4nc5c(C)cccc5s4)c3[N+](=O)[O-])CC2)cc1 40611212 HCLNLSATUFXBQS-UHFFFAOYSA-N 477.550 4.382 10 10 JICE C[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925498 FPVZPELUOPRYIW-VGOFRKELSA-N 475.008 4.007 10 10 JICE CCCCOC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871201919 VYQFQLZEWLXJNJ-UHFFFAOYSA-N 492.620 4.488 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873166357 MWMNXBKEXFDLRU-VWLOTQADSA-N 485.584 4.151 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873168295 QCUKMUBQUSFYNU-UHFFFAOYSA-N 497.574 4.390 10 10 JICE COc1cccc2[nH]c(C(=O)NCCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 1874017355 PMCGFYNOBSUOQK-UHFFFAOYSA-N 481.508 4.101 10 10 JICE O=C(N[C@]1(c2c(O)cccc2[N+](=O)[O-])C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1953017759 QDLIZPWKMGVUCN-UQBPGWFLSA-N 460.442 4.139 10 10 JICE CN1CCCc2cc([C@@H](O)[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2121961603 ITJYGYPVFSDUSI-GGXMVOPNSA-N 486.568 4.484 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCc2ccccc2O)c1 2124096056 MWNYYUBGRJAFQP-UHFFFAOYSA-N 468.291 4.274 10 10 JICE COCCN1C(=O)SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 2293812380 UHQSXPUKIBJVIU-UHFFFAOYSA-N 482.343 4.381 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CSc1ccccn1 2295905690 ZZVABNJVZZBNPX-UHFFFAOYSA-N 451.548 4.177 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(O)cc1 2296881411 FYIQJEKPGRFOCS-UHFFFAOYSA-N 463.378 4.385 10 10 JICE CNC(C)=C(C(=O)Nc1ccccc1)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1O 2297458729 KSVMVHPQIUYRAK-UHFFFAOYSA-N 451.548 4.091 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 2314764555 GGSMSFYZKXVLBD-UHFFFAOYSA-N 471.991 4.403 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)N(C)c2ccccc2C(=O)O)C1=O 2314934521 HXPXUDCSHJUPLA-UHFFFAOYSA-N 452.557 4.195 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)n1-c1ccccc1 8935904 SOOGIBWKVUZKOA-VWLOTQADSA-N 467.472 4.345 10 10 JICE Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 24851973 CPWXFPXWJIDPCR-UHFFFAOYSA-N 453.347 4.310 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33780936 FQJJYNDKMMTSQH-WQRHYEAKSA-N 466.588 4.352 10 10 JICE CC1=NN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl 36358070 AHJZSMNFMRDWFY-YFHOEESVSA-N 456.215 4.168 10 10 JICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990329 TYTPFZBJUUBBOY-HKWRFOASSA-N 488.679 4.057 10 10 JICE CCCOC(=O)c1cc(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl 101357754 DMYUXZXNCLFYAS-LFIBNONCSA-N 462.289 4.139 10 10 JICE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 210671920 JLCYFRYALUWXSX-CXUHLZMHSA-N 468.478 4.260 10 10 JICE CC[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896568 MKEXHCCDVKQFFZ-CLJLJLNGSA-N 464.654 4.221 10 10 JICE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)c1 1873422760 NVKRYSIRLXSNOP-UHFFFAOYSA-N 457.530 4.483 10 10 JICE O=C(OCc1ccccc1)N1CCC(F)(CNCc2c(O)cccc2Br)CC1 2042869447 VRYSUUOPEQQZLV-UHFFFAOYSA-N 451.336 4.385 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2079858453 QHAJRCZHGMPIDX-SNVBAGLBSA-N 484.212 4.007 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2293456938 KVVPEQCWTKNISX-UHFFFAOYSA-N 493.501 4.242 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348033 AAUZLYPSHBVWKU-UHFFFAOYSA-N 479.396 4.435 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 2297467636 JLRKZGZGOBDWGP-UHFFFAOYSA-N 497.536 4.285 10 10 JICE Cc1ccc(O)c(NC(=O)CN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2297580116 QOYLIDYUCABPOZ-UHFFFAOYSA-N 450.488 4.142 10 10 JICE CCOc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2314486811 MUDUUFGTUZSRKA-UHFFFAOYSA-N 493.404 4.354 10 10 JICE CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 33473139 YNSASNVLCVPMSK-PXLXIMEGSA-N 492.670 4.338 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 96456893 PBYCTIGDVTWNFS-GMAHTHKFSA-N 459.512 4.108 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1 101350257 FWBYVXFOILQWEW-UKTHLTGXSA-N 460.302 4.091 10 10 JICE CO[C@@H]1[C@@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 209314213 KMPFRXYCBJVJJJ-RRPNLBNLSA-N 479.690 4.370 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(C)s1 211940707 KFFUZMWDGSPLAJ-WOJGMQOQSA-N 498.611 4.278 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 1084556646 MAXXNZHAEZNJTK-HZHRSRAPSA-N 457.534 4.443 10 10 JICE CC(=O)c1ccc2c(c1)CN(C(=O)CCN1C(=O)/C(=C\c3ccc(F)cc3)SC1=S)C2 1129661851 NKHVLVZNJPTNAX-KEBDBYFISA-N 454.548 4.162 10 10 JICE CCOc1cccc(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)c1 1869970486 KUWHMGFXISLOPA-UHFFFAOYSA-N 498.587 4.254 10 10 JICE CCCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548850 MCYQQLIPUMCWNX-HXUWFJFHSA-N 476.625 4.049 10 10 JICE O=C(O)CCC[C@@H](NC(=O)OCc1ccccc1)c1cc(I)ccc1O 1951596296 GOLWETSXRVCSSC-MRXNPFEDSA-N 469.275 4.219 10 10 JICE N=C1C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297454141 VKRCBJQCEKEAAC-UHFFFAOYSA-N 460.437 4.326 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2297454295 SFRAROVBRVKZJH-UHFFFAOYSA-N 477.904 4.108 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 2313562124 GJINCXZKNLBLRS-UHFFFAOYSA-N 474.380 4.036 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 2313626201 GOJDSTQWDOJIIA-RBZQAINGSA-N 463.489 4.031 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314831466 LSFDVRKHTCOUJS-UHFFFAOYSA-N 493.607 4.118 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15039943 OQHIRQMDVAFLDV-RGEXLXHISA-N 470.572 4.189 10 10 JICE CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066956 RTGJVBYLBXELLR-STZFKDTASA-N 496.658 4.288 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)s1 209422326 CURANOTVBZGXND-SDNWHVSQSA-N 480.662 4.279 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCS(=O)(=O)C1 1705711769 SJACCKJMXOCMPN-OAQYLSRUSA-N 467.639 4.190 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864018738 BOWLOADGELFOBP-FQEVSTJZSA-N 482.968 4.110 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864020665 FEGJSNPGASAFTJ-QHCPKHFHSA-N 490.604 4.100 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3cccc(Cl)c3)C(C)C)CC2)cc1 1868954322 OSKUHVALCBQSAM-VWLOTQADSA-N 472.029 4.161 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873165568 POBJUPUCVUUEKS-UHFFFAOYSA-N 468.601 4.058 10 10 JICE COCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419923 FSNGJBQAEFOXQP-UHFFFAOYSA-N 459.546 4.250 10 10 JICE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)cc1C 2080001946 PQPFSQIMWLZLMG-KRWDZBQOSA-N 479.362 4.350 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 2294204945 WINUBEWVBCZFDX-UHFFFAOYSA-N 462.502 4.245 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC 2297332381 CTSDWYUWGCNPSK-UHFFFAOYSA-N 468.815 4.433 10 10 JICE C[C@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@H](C)O1 2314489608 SEHWRASYNAIICD-ROUUACIJSA-N 466.628 4.180 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314831038 AZIOJZYJXLYQBD-UHFFFAOYSA-N 486.571 4.109 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2314836326 CYKDCMAWSDSXJW-CQSZACIVSA-N 470.572 4.100 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314836332 DAHMDFOEGLMMBI-LBPRGKRZSA-N 490.990 4.451 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1C[C@H](c1ccccc1)N1CCCC1 2323886492 CDMNFSACDWYTDB-LJQANCHMSA-N 452.601 4.496 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(O)cc1 1792456 FYIQJEKPGRFOCS-LFIBNONCSA-N 463.378 4.385 10 10 JICE CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 8891916 UBHQWYLQBAROFV-VWLOTQADSA-N 451.473 4.412 10 10 JICE Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 9778841 VKFCDYWGLGRVSW-DHIUTWEWSA-N 459.933 4.467 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1Cl 33314415 MZLQPBGPFPEWMA-IDUWFGFVSA-N 467.927 4.353 10 10 JICE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989877 YLZIZNZFDOZVBP-UNOMPAQXSA-N 458.653 4.286 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)COc3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 56943715 VKUIPJBKPPZPAY-AREMUKBSSA-N 477.605 4.470 10 10 JICE Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)n1-c1cccc(Br)c1 110227930 KQOPFWCQHPMUBN-UHFFFAOYSA-N 484.354 4.122 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3cc(N4CCCC4=O)ccc3OC)sc2C)cc1C 170550921 KJILQYDYLIFFKB-UHFFFAOYSA-N 487.603 4.372 10 10 JICE CC[C@]1(c2ccc(/N=N/c3ccc([C@@]4(CC)CCC(=O)NC4=O)cc3)cc2)CCC(=O)NC1=O 215745194 TWJPHIGWZZVDIV-YBAORXCPSA-N 460.534 4.271 10 10 JICE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(N)cc(F)c1O 687754759 FZBIUMFODNVJGN-RUZDIDTESA-N 450.466 4.342 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1 1858590160 ZJMVOGMSGOGRAD-DEDYPNTBSA-N 489.707 4.444 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)SC1=S 1860826531 GBYNFHDCQPDNHM-DEDYPNTBSA-N 479.583 4.346 10 10 JICE CCC[C@H](NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862228654 WCACCLGLYGGIAT-QHCPKHFHSA-N 488.028 4.141 10 10 JICE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2CC)cc1OC 1865675478 KIESVWMHHHXPHU-CAPFRKAQSA-N 464.566 4.314 10 10 JICE COc1cc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1865911205 VEOHCUJWWAOUTO-PZVJUEDKSA-N 467.610 4.135 10 10 JICE COc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866981924 ZVIGJYYWBVSHCV-XDHUDOTRSA-N 484.552 4.354 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873165310 HKTHUZLGMLNXEE-UHFFFAOYSA-N 475.564 4.182 10 10 JICE Cc1ccccc1C=C1SC(=S)N(c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O 2040483960 ONQSENNMQNJRRU-UHFFFAOYSA-N 495.047 4.075 10 10 JICE CSc1ccc(C=C2SC(=O)N(CCNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)C2=O)cc1 2042444289 VXNWKHFKXIODBN-HXUWFJFHSA-N 498.626 4.433 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCCOc4ccc(C)cc4)c3)C2=O)cc1 2293284967 QFEMCLMQEXGKBJ-UHFFFAOYSA-N 472.497 4.128 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296715357 SFWUDNLMZXWNKQ-UHFFFAOYSA-N 468.579 4.447 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCCOc1ccccc1 2297345110 RLDICPFDICCQRR-UHFFFAOYSA-N 482.587 4.483 10 10 JICE O=C1C[C@H](N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 2297460509 RTDWXGYNXSCJAC-KRWDZBQOSA-N 454.960 4.430 10 10 JICE CCc1ccccc1NC(=O)CN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2297579957 ADBIZHRQPZTJQJ-UHFFFAOYSA-N 472.588 4.115 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3CCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314399990 GYUSDSUBSICHNY-UHFFFAOYSA-N 456.637 4.385 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)s1 2314578284 JEODUOIGPHZBDR-UHFFFAOYSA-N 468.626 4.409 10 10 JICE O=C(O)CCCNC(=O)CN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314827635 JEHPQFOPCOOHAI-UHFFFAOYSA-N 464.568 4.175 10 10 JICE CCCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(Br)c1O 2380739370 JHIKSOYZVDXISR-CQSZACIVSA-N 461.422 4.116 10 10 JICE COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 9778736 ODYVVASDQBSYRN-GOTSBHOMSA-N 475.932 4.167 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)c2C)cc1 14266448 DNSFLEYOWOYACG-HHHXNRCGSA-N 459.546 4.451 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310917 PURIZRJJGZSJQI-DEOSSOPVSA-N 472.651 4.397 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526380875 CCMABGUEHPPVKJ-DEOSSOPVSA-N 479.485 4.189 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 1084244848 VAURVJMTKHUMAL-GZTJUZNOSA-N 467.478 4.003 10 10 JICE COC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccc(C)cc1 1860750865 XCKXUQOUIVUWGD-UHFFFAOYSA-N 450.516 4.183 10 10 JICE Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2ccc(F)cc12 1866295359 VTAMHLHUOZVVQK-JOCHJYFZSA-N 451.542 4.264 10 10 JICE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826460 YICFKXCFMSODSJ-UIOOFZCWSA-N 496.721 4.256 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419548 KEAKXINLZRIRNJ-HSZRJFAPSA-N 486.528 4.373 10 10 JICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421056 DSFGJBGYLRMTJQ-UHFFFAOYSA-N 499.615 4.196 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2080052271 KXDWUEREPXDMDA-KRWDZBQOSA-N 467.351 4.102 10 10 JICE CSc1ncc(CNC(=O)c2cc(I)ccc2Br)s1 2269277522 KKPMHOIQTBFYRD-UHFFFAOYSA-N 469.167 4.162 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc12 2294095132 KQXXYKDFIDJQRT-UHFFFAOYSA-N 451.276 4.277 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1C 2314509503 UUPUZMJEOQQNPA-QGZVFWFLSA-N 493.610 4.484 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1)C(=O)O 2314929014 GAHCVDIKZRQONM-INIZCTEOSA-N 459.505 4.065 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnn4c(C)c(Cc5ccccc5C)c(C)nc34)CC2)cc1 3045101 VDSKCUYWFGRZQF-UHFFFAOYSA-N 469.589 4.216 10 10 JICE CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)NC1=S 6353550 LYQSPRYANRQKKD-ZDLGFXPLSA-N 468.376 4.099 10 10 JICE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640911 QPEYKYRHPLSQGK-XLNZFTOWSA-N 470.591 4.323 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 14470818 QXWUDBBJACCLDB-IXFSTUDKSA-N 488.997 4.011 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)CC2)cc1 22482495 FJHWEFCDJDOWKH-NRFANRHFSA-N 492.023 4.371 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)N1CCCCC1 33922640 GQQMDKFFPFYOSB-JCMHNJIXSA-N 470.529 4.156 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54421763 IQJJMMSGVGOXHC-FQEVSTJZSA-N 499.460 4.434 10 10 JICE COc1ccc(N2CCN(C(=O)c3c4c(cn(-c5ccc(C)cc5)c3=O)C(=O)CC(C)(C)C4)CC2)cc1 65000393 ITSCHSRZQXTTQF-UHFFFAOYSA-N 499.611 4.272 10 10 JICE BrC1=CCCN(c2nnc([C@H]3CCCOC3)n2CCCSc2nccs2)C1 1705473860 SUHKWVCDQUIBIH-AWEZNQCLSA-N 470.462 4.300 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OCC 1858590341 KUOQTRJRCMVJBQ-RFRKOGIWSA-N 455.623 4.282 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(OC)ccc4OC)n(CC(C)C)n3)CC2)cc1 1862351701 CFKFYANKCWUGSF-UHFFFAOYSA-N 478.593 4.194 10 10 JICE CCN(CCc1ccncc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 1868001024 CWIVUHTTYOOMSA-UHFFFAOYSA-N 495.631 4.338 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3ccco3)CC2)cc1 1870468473 GRORNIPVIPVYQK-UHFFFAOYSA-N 485.584 4.399 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873168858 MTHBTRBLJMIVTB-UHFFFAOYSA-N 483.547 4.069 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NC3CCCCCCC3)cc1C2=O 1873882833 ZKJXGXRIEYDWIV-UHFFFAOYSA-N 477.513 4.155 10 10 JICE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1875205820 YIOLWZVUTQVJNS-UHFFFAOYSA-N 464.614 4.414 10 10 JICE O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951377332 ORVKKGDQADASKM-AWEZNQCLSA-N 473.117 4.359 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(CN)c1I 2080047993 MCIARKBZTVESLO-LBPRGKRZSA-N 453.246 4.287 10 10 JICE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2297353914 NAGUIEDAMCZFOE-UHFFFAOYSA-N 470.363 4.071 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(F)c(C)c4)n3)cc21 11857588 OGRUXUIPTZGYBF-UHFFFAOYSA-N 461.540 4.194 10 10 JICE COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1OC 27572605 RDQFSQCGSCMJSF-VFSBIUAYSA-N 465.531 4.329 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1CCC(Cc2ccccc2)CC1 33417560 DICHOWCEEPOHHL-XQNSMLJCSA-N 494.638 4.488 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)CC(C)(C)C)c(OS(C)(=O)=O)c1 37421886 BBPSUTCDDXVSGI-UHFFFAOYSA-N 450.601 4.429 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)c(Br)cc1OCC(=O)O 103069932 WIWPXEZXJHXWQD-NTUHNPAUSA-N 479.714 4.381 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 105121657 OFHBSHXKLVVFKU-UHFFFAOYSA-N 457.574 4.049 10 10 JICE COc1ccc(CCc2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858345860 WAKNTIIQYKKSQY-UHFFFAOYSA-N 470.573 4.099 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5c(c4)CCC5)n4ccccc34)CC2)cc1 1858353270 KABPQLCPOJWJDY-UHFFFAOYSA-N 452.558 4.461 10 10 JICE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867982261 YBMAYSIZKZGPQV-UHFFFAOYSA-N 496.011 4.132 10 10 JICE CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179526 INVIPMJSJJBHGJ-FQEVSTJZSA-N 460.559 4.041 10 10 JICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2ccc(N3CCCC3)cc2)C1 2287600091 XDXINAWADBNLTR-UHFFFAOYSA-N 474.646 4.233 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)c2C)c1 2297345075 OJBJNXRBYPZDRL-UHFFFAOYSA-N 455.565 4.051 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 2313682833 LPTVYSZPOIGWQM-UHFFFAOYSA-N 487.585 4.458 10 10 JICE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2314833937 XEGRVKDGGKQAAU-KRWDZBQOSA-N 472.975 4.272 10 10 JICE COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1OC 16914226 PPQRLEPRCABVMO-RUZDIDTESA-N 489.616 4.308 10 10 JICE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c(C)n1-c1ccccc1 24335435 UMPTUUMKWKRBNT-UHFFFAOYSA-N 451.470 4.187 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 33366744 OYELAKCKFJSWAV-UFTLPMNOSA-N 468.556 4.267 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 40938370 KUXMVHIOVJFATB-HKWRFOASSA-N 457.573 4.383 10 10 JICE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4ccccc4c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076738 HEMQWFQQLNJDHE-UHFFFAOYSA-N 461.499 4.284 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 206726925 RRUHRGPEXGZOJJ-FYJGNVAPSA-N 479.583 4.258 10 10 JICE CCN1CCN(c2ccc(CNC(=O)N(CC)[C@H](C)Cc3ccc(OC)cc3)cc2F)CC1 731404452 CWENPSOWCIKVJC-HXUWFJFHSA-N 456.606 4.139 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)c2)CC1 1459055763 XWBXMBAYWSKWDQ-UHFFFAOYSA-N 456.974 4.245 10 10 JICE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1705921063 KWGVLUKSYFORSR-GOSISDBHSA-N 456.953 4.028 10 10 JICE CCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862120862 GXZWKBLUESYSND-MHZLTWQESA-N 485.628 4.461 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019122 GQMQXNSSTFVUKA-XCLFUZPHSA-N 482.968 4.109 10 10 JICE COc1ccc(N2CCN(c3cc(N(CCO)Cc4ccccc4)nc(C(C)(C)C)n3)CC2)cc1 1867970420 XYLVMLPAURTNKW-UHFFFAOYSA-N 475.637 4.108 10 10 JICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873165025 DQBVXMSSMHFDAR-UHFFFAOYSA-N 498.627 4.067 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873165826 SYFSNRPEZMQVTK-QFIPXVFZSA-N 470.617 4.477 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1OC 1873166247 IPLPNQAWGHFIOB-UHFFFAOYSA-N 485.584 4.186 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCN(C)C)C2=O)cc1 1873167396 FLIMYYZAETYKSF-UHFFFAOYSA-N 460.622 4.216 10 10 JICE COCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420020 GIPOCHBOKFTZFG-UHFFFAOYSA-N 472.589 4.389 10 10 JICE O=C(COC(=O)C=Cc1cccc(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2040421582 DZNKWHAMVSLLDI-UHFFFAOYSA-N 490.309 4.420 10 10 JICE CN1CCc2cc([C@@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2106805196 KFYPNCUYMOXYBK-XMMPIXPASA-N 451.611 4.272 10 10 JICE CCN1CCc2cc([C@@H](NC)[C@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2106851059 PIDFUIBCBRGSOO-UKILVPOCSA-N 452.643 4.355 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(Br)cc2O)[C@@H](C(F)(F)F)C1 2163258139 WJDDMDFLVKPDSE-OCCSQVGLSA-N 453.299 4.290 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c(OC)c1 2294244381 BITPBCKFSYWSTA-UHFFFAOYSA-N 479.533 4.082 10 10 JICE CC(C)C1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccccc4)cc3)C(=O)N=C2S1 2294593275 SKXNHCMDHFNQGC-UHFFFAOYSA-N 478.574 4.436 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1 2297470018 CXXJQYZGMCARMF-UHFFFAOYSA-N 451.552 4.387 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)s1 2314578121 CURANOTVBZGXND-UHFFFAOYSA-N 480.662 4.279 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 2314842173 DHPLHMWYKDPIHA-CYBMUJFWSA-N 490.990 4.340 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1OCC(=O)O 2314932671 OBTOQTFTPRHZPA-UHFFFAOYSA-N 480.361 4.327 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 33774700 NUVGZZSFJUSOFV-HZGBGQKMSA-N 474.652 4.230 10 10 JICE O=C1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc2N1CN1CCCCC1 34896630 QYLGQNCWTYKTSK-FMQUCBEESA-N 453.564 4.392 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1nc2ccccc2s1 40324202 OKFNDCYLNHSPHJ-JXAWBTAJSA-N 453.614 4.247 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(Cl)cc4)s3)CC2)cc1 65085532 OGCCXAQXQCMJED-UHFFFAOYSA-N 477.007 4.205 10 10 JICE Cc1cc(/C=C/C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)c(C)n1-c1ccccc1 108674803 KWNDYPGGQLOBGO-OUKQBFOZSA-N 453.546 4.259 10 10 JICE Cc1ccc(CC(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)o1 1867258893 OHUWFONNBGXRTL-SANMLTNESA-N 478.504 4.402 10 10 JICE CCCCCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680117 STZAARIJNWUWNT-UHFFFAOYSA-N 493.652 4.035 10 10 JICE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875207527 VELHHRGQMKBKKG-UHFFFAOYSA-N 464.614 4.270 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079876877 POMOOFLNDXNYII-AWEZNQCLSA-N 478.233 4.227 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 2294095502 UEUGRVVEYRPPLU-UHFFFAOYSA-N 494.862 4.423 10 10 JICE CC(=O)N1C(=O)C(=C2SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 2297314890 CWUBJEJSHRSAMC-UHFFFAOYSA-N 459.346 4.118 10 10 JICE CCCCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)s1 2297349715 IKFRFQRQRJNBHZ-UHFFFAOYSA-N 490.632 4.230 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 2297358274 FLWXKPSSFBYPQA-UHFFFAOYSA-N 480.480 4.260 10 10 JICE CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc12 5461015 TWHSQQYCDVSBRK-UHFFFAOYSA-N 464.547 4.180 10 10 JICE in-man CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 13575950 LMBWMODVQSVIHJ-PDGQHHTCSA-N 473.967 4.316 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(F)cc3)N3Cc4ccccc4C3=O)CC2)cc1 15721105 OJKNBIVOXGJRAR-SANMLTNESA-N 473.548 4.270 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCC(C)C)nc12 33925949 ULIQBGZLKPDAPM-LICLKQGHSA-N 454.577 4.065 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 38619699 DLPVPLPQUOXPLB-RUZDIDTESA-N 490.604 4.030 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 102688370 LOMSZYMHXZRIEB-KNTRCKAVSA-N 488.679 4.257 10 10 JICE O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 208339883 KTJNJGHCQPJVRM-ZDLGFXPLSA-N 479.426 4.334 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 214754738 GPFTZNBTLJZYFE-QGOAFFKASA-N 485.543 4.002 10 10 JICE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1O 389228859 AFIORFWIKUQLOJ-UHFFFAOYSA-N 464.390 4.207 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 504693231 BRUAMEXMFBBSCU-QRXMYIDTSA-N 470.550 4.319 10 10 JICE CC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cc2C[C@@H]1C 1193466224 YIVRLASEDUQWHC-SFHVURJKSA-N 451.592 4.179 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCN(C)C(C)C)CC1 1508216885 POIMTIVZZQWULF-UHFFFAOYSA-N 491.684 4.142 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864018468 LRMXVCFEXBXLMU-JXFKEZNVSA-N 456.587 4.046 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018739 BOWLOADGELFOBP-HXUWFJFHSA-N 482.968 4.110 10 10 JICE Cc1ccccc1CCCC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867133027 ASQCNHNIRCHXAY-SFHVURJKSA-N 454.526 4.237 10 10 JICE CCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867340915 HORNHOWKNDVVKU-LOSJGSFVSA-N 468.617 4.134 10 10 JICE CCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867824845 QCIZFQQOYJZIMV-IZZNHLLZSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccc(Cl)c5)C4)nc(C)n3)CC2)cc1 1869297774 ZDRILBGVBNXLDH-XMMPIXPASA-N 480.012 4.352 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(C)cc(C)c4)n(-c4ccccc4)n3)CC2)cc1 1869969437 CDJOBFIZLIEHMY-UHFFFAOYSA-N 482.588 4.472 10 10 JICE Cc1nn(Cc2ccc(Br)cc2O)c(I)c1C(F)(F)F 2079670926 MGQCYLZSJHSFKT-UHFFFAOYSA-N 461.019 4.331 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296712319 YBENCIXUHMXBFM-UHFFFAOYSA-N 478.555 4.202 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(OCC)c1 2297307014 FTVRVQSCJVQRIA-UHFFFAOYSA-N 475.364 4.078 10 10 JICE COc1cc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc([N+](=O)[O-])c1O 2321618003 CPMFLQQHXTUPBV-UHFFFAOYSA-N 455.517 4.234 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857486 AAEGRHVDIUXGKY-UHFFFAOYSA-N 494.392 4.037 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 59048997 CEQIODHANPWQAA-ISLYRVAYSA-N 458.948 4.026 10 10 JICE CC(=O)n1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2ccccc21 59434460 VLCWGCXTZMUVTP-UHFFFAOYSA-N 455.495 4.203 10 10 JICE N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102468991 IZDGHTSZJCFKPP-SZRLJQQQSA-N 465.510 4.107 10 10 JICE Cc1ccc(CNc2c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1 208272869 MXQHPPWDLTXQST-KEBDBYFISA-N 466.632 4.343 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCCC(=O)O 210463920 MGVRAOHXXKNBKW-UYRXBGFRSA-N 459.545 4.353 10 10 JICE COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)C2[C@@H]2CCCS2)cc(OC)c1OC 247872661 FJAQBYXWCLHQLR-QFIPXVFZSA-N 490.622 4.287 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526632083 IOEJBVGEBAYQCM-QHCPKHFHSA-N 479.485 4.189 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 1083961790 FVSRKRBIYSJESQ-KQWNVCNZSA-N 471.513 4.279 10 10 JICE Nc1ccc(Cc2ccc(NC(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866095147 KYFIQWFBFMGUKK-UHFFFAOYSA-N 478.346 4.247 10 10 JICE CC[C@@H](NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811528 KAVIIQMWKQMSPG-NBRGKURFSA-N 452.510 4.399 10 10 JICE CC[C@@H](C(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868839029 XBLWMHDACAOFCG-BVAGGSTKSA-N 472.029 4.476 10 10 JICE CCCCCCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870674164 HSPZUFGVHQHQLB-AREMUKBSSA-N 483.653 4.317 10 10 JICE CCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871032917 DCJAAKLTFPHVQA-UHFFFAOYSA-N 490.604 4.242 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(=O)c1ccco1 2040447851 XUPDANYYHKPJFO-UHFFFAOYSA-N 475.544 4.354 10 10 JICE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079125328 QIKWLNXFRIYLOO-INIZCTEOSA-N 456.324 4.486 10 10 JICE Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)NC1=S 2294235476 WDWTWYAKXVDZJP-UHFFFAOYSA-N 466.902 4.438 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 2297330040 OPTVDTJFBLXKDJ-UHFFFAOYSA-N 479.714 4.176 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 2297347575 JPFPKPVBLDEGKE-UHFFFAOYSA-N 451.866 4.327 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)cc2c1 2314650342 AHTSMSCESLEOLI-UHFFFAOYSA-N 480.659 4.389 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1Br 2314764401 BMEZRTIIDZJKPX-UHFFFAOYSA-N 463.378 4.312 10 10 JICE CCOc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccccc2)C1=O 2314764592 HEJHXZMEKWKKKD-UHFFFAOYSA-N 463.378 4.394 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 20154713 NYBVIXPRHNPKJS-SNMDACFJSA-N 498.586 4.101 10 10 JICE CCc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccc(OC)cc3)CC2)c1 33292909 XLNLEOKMSZNJSM-UHFFFAOYSA-N 463.607 4.105 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33445242 HPQQGBRWTUYSBT-CPNJWEJPSA-N 462.600 4.005 10 10 JICE CC(=O)NCCc1c(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)[nH]c2ccccc12 38172593 QSBFVGRRPSLMHD-VBKFSLOCSA-N 450.882 4.007 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 39861537 SJVCPHCXGUXSMG-WOJGMQOQSA-N 451.485 4.360 10 10 JICE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 40847167 SCBVFRCLGCDCII-AREMUKBSSA-N 495.491 4.346 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088723262 JHTGXSBYCKKDFS-BPKVKKHESA-N 473.519 4.354 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCSc1nccs1 1705491036 WLZWPGCGZCGISY-KRWDZBQOSA-N 493.662 4.162 10 10 JICE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCN(C)C(C)(C)C1 1705835936 YWGCRPAYMKKBDZ-UHFFFAOYSA-N 461.658 4.001 10 10 JICE CCCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858695870 ZWSDWMFUMLTQTO-INIZCTEOSA-N 490.516 4.060 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3c(F)cccc3Cl)c3ccccc3)CC2)cc1 1862303550 MUEGUUMRSZLLEU-XMMPIXPASA-N 481.955 4.308 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016762 WUKLCKJFJOJWFV-HSZRJFAPSA-N 496.567 4.035 10 10 JICE COc1cccc2c1C(=O)N([C@H](CC(C)C)C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865837560 XSQLUZNLUWQNOD-OAQYLSRUSA-N 496.519 4.120 10 10 JICE Cc1ccc(-n2nc(C)c3cc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cnc32)cc1 1866253706 XGDIMROAOFOECH-RUZDIDTESA-N 479.588 4.356 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4F)n(C(C)(C)C)n3)CC2)cc1 1869970487 KUXBWQLCGFLYAL-UHFFFAOYSA-N 488.514 4.038 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccncc2)cc1OCCCO 1871265469 CKMBGWFELRQKLC-UHFFFAOYSA-N 456.546 4.409 10 10 JICE CCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875229635 PJPVVOUKAWQVFU-UHFFFAOYSA-N 494.640 4.041 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2163172009 LZMSSNKKUMQRSC-LAUBAEHRSA-N 472.630 4.398 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296716195 IGZRAKXJUFXRJB-HOTGVXAUSA-N 494.642 4.480 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4cccc(F)c4)CC3)cccc21 2322178948 OTWQSXCCKLORFC-UHFFFAOYSA-N 482.511 4.492 10 10 JICE CSc1cc(N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)ccc1CN 2353852834 RFEVYZOAEVBITH-UHFFFAOYSA-N 480.675 4.161 10 10 JICE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc1 15044692 DTCILRYRJDYNSO-SDXDJHTJSA-N 462.637 4.337 10 10 JICE CCN(CC)c1ccc(/C=C2\SC(=N)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 15087879 XIWCKDVQLLOOLB-UKNYLZHGSA-N 461.591 4.386 10 10 JICE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)N(C)C2=S)cc1 33334200 PHVXRQALLGOYIW-HMAPJEAMSA-N 473.554 4.274 10 10 JICE Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)c2)cc1 83319107 KLAYJIQRPWTEBC-RCCKNPSSSA-N 462.483 4.269 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 108575912 IBCPMFBOTCRQOI-SANMLTNESA-N 492.019 4.429 10 10 JICE O=C(O)CCNC(=O)CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210704047 XMBOXZIDFFRQSE-XSFVSMFZSA-N 464.568 4.175 10 10 JICE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 1084091360 HMYSDPQNAWWETA-JYRVWZFOSA-N 494.139 4.195 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)c3)cc2)c1 1860862544 IYDHJRAYNQUCIL-UHFFFAOYSA-N 466.541 4.467 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864020635 FAMXGVICUWJDNA-OAQYLSRUSA-N 496.995 4.177 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871692142 CMZFPCBPGFRMGL-UHFFFAOYSA-N 491.640 4.147 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 2296661417 WKSHBLAIIYWNEE-UHFFFAOYSA-N 452.467 4.083 10 10 JICE CC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329554190 PXDBDFKKHOPOHX-MHZLTWQESA-N 475.633 4.349 10 10 JICE Oc1c(F)cc(F)cc1CNc1cc(I)cc(I)c1 708494928 RHLBSBVMBBWXKU-UHFFFAOYSA-N 487.025 4.492 10 10 JICE Cc1c(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1C 1084351017 DMXWHMIEDWFPQS-GZTJUZNOSA-N 454.349 4.081 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865031725 MXADQGPDURDWSV-VGSWGCGISA-N 488.588 4.467 10 10 JICE CC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868721178 NWMPTHOFSKCMJZ-UIOOFZCWSA-N 495.664 4.386 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970249 GOCLYCMDSHRPRA-UHFFFAOYSA-N 483.016 4.203 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3cccs3)C2=O)cc1 1873168742 HZXHWSLGXPHDAQ-UHFFFAOYSA-N 485.613 4.034 10 10 JICE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425580 GNYJJMXQQDJHBO-UHFFFAOYSA-N 498.627 4.317 10 10 JICE CCc1cccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1O 2084908290 WLMUFBLKOVYFNR-UHFFFAOYSA-N 451.608 4.242 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccccc12 2294317194 QUUGFZQSNHQLPA-UHFFFAOYSA-N 473.558 4.150 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1C 2313562611 ZGHOMWVQBNYTFG-UHFFFAOYSA-N 474.380 4.090 10 10 JICE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 2314932018 SOJJDDFXGPGIDV-UHFFFAOYSA-N 497.381 4.393 10 10 JICE CC(=Cc1ccccc1)C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330460920 WNLWEZDTJAPVLE-UHFFFAOYSA-N 452.510 4.399 10 10 JICE NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)sc2c1CCCC2 1776421 QSQKTPDXUNXBEY-OQLLNIDSSA-N 492.047 4.219 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1 11858074 FHHRLONKLCUQAS-CQSZACIVSA-N 473.576 4.142 10 10 JICE C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781533 YKHHCBQUBGBWHC-PDGQHHTCSA-N 466.563 4.141 10 10 JICE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4cc(OC)ccc4OC)ccc3n2)CC1 104345091 PHAQBDGKGRNDKW-WDZFZDKYSA-N 460.578 4.354 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2ccc(Cn3cnnc3)cc2)cc1 205965569 LLJZMYVWOIJTSR-LGUFXXKBSA-N 494.555 4.481 10 10 JICE COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860551217 ABKWMCSUAZRZOF-UHFFFAOYSA-N 477.476 4.370 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868681650 FDXTXEAQJIXFSP-CLJLJLNGSA-N 495.689 4.166 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl 2296923926 HDTZYPVJYFTREJ-UHFFFAOYSA-N 467.821 4.183 10 10 JICE CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)NC1=S 2297358438 WUTGGVIFYDKIAO-UHFFFAOYSA-N 462.325 4.014 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 2297469081 SEFKFRRUAOJUKC-UHFFFAOYSA-N 488.617 4.175 10 10 JICE Cc1ccc(C(=O)O)c(NC(=O)CN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2314934013 FTCHELJHLVBCII-UHFFFAOYSA-N 478.498 4.135 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141262 NJUYPBVSJBJFAH-UHFFFAOYSA-N 487.468 4.218 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)c(F)c4)C3=O)c2C)cc1F 16463730 CYGSUGWRQPMCHA-VWLOTQADSA-N 469.463 4.470 10 10 JICE Cc1cccc(C2=NN3C(=N)/C(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)C(=O)N=C3S2)c1 20210668 URDMBRFTXKICJL-HRGNJQJKSA-N 456.487 4.361 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33475293 QJQMMMXGJBXENY-NKFAACEZSA-N 488.679 4.053 10 10 JICE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084078461 GRZHJZCFKKXDAC-MOSHPQCFSA-N 474.473 4.020 10 10 JICE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1)C1CC1 1310820585 SYWCCYXKIUONSJ-IRXDYDNUSA-N 454.546 4.276 10 10 JICE BrC1=CCCN(c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)C1 1705473779 OFULZHFAVFJLBH-UHFFFAOYSA-N 451.419 4.401 10 10 JICE CCC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862109767 CZJVJRZVEMSPQR-HSZRJFAPSA-N 488.028 4.140 10 10 JICE CCC[C@@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862171874 MRRLRGIWBKHYFH-RUZDIDTESA-N 495.664 4.314 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862281049 FWICBURYIGSJCI-DEOSSOPVSA-N 483.678 4.193 10 10 JICE CCOC(=O)c1c(NC(=O)CCNC(C)=O)sc(C)c1-c1ccc(Br)cc1 1866087009 BRNHCIASDITCCU-UHFFFAOYSA-N 453.358 4.127 10 10 JICE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685190 ZOPZPOXAHIAOAW-CLJLJLNGSA-N 463.622 4.213 10 10 JICE CCC[C@@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868836092 ZRZGKNLNUUTXPV-DNQXCXABSA-N 472.029 4.476 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426251 RQRVIWHRZDTHGM-UHFFFAOYSA-N 494.599 4.318 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)c(C)c3)cc1C2=O 1873871266 GCXYVYCBNDQSLD-UHFFFAOYSA-N 471.465 4.182 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccccc3Cl)cc1C2=O 1873883199 HCVXYLRBORPWKB-UHFFFAOYSA-N 477.856 4.218 10 10 JICE C[C@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1877572037 ZQESBBKTTZTHBR-AFMDSPMNSA-N 454.567 4.413 10 10 JICE CC(C)(C)OC(=O)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1I 2079186178 MYESBLUMMRCRDV-UHFFFAOYSA-N 486.203 4.355 10 10 JICE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1ccc(Cl)cc1Cl 2293199796 BRKAYXRUDKSWPB-UHFFFAOYSA-N 474.300 4.129 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 2296538193 DXCAPVIOSGHGFL-UHFFFAOYSA-N 465.600 4.208 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 2297346424 ABPCYJOMACOXPA-UHFFFAOYSA-N 490.010 4.067 10 10 JICE CC1=CSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=N)N12 2297360503 LERADPBOUUYEEZ-UHFFFAOYSA-N 459.936 4.275 10 10 JICE COc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)sc2c1 2314563158 LNLZABKKSWKEFU-UHFFFAOYSA-N 459.549 4.284 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33468504 ZNMRWMZIRFLJIW-OBGWFSINSA-N 456.637 4.385 10 10 JICE CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795996 MTTORCSCVCBVQW-LFIBNONCSA-N 456.980 4.181 10 10 JICE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066747 GAJBADPLDWFBGJ-UNOMPAQXSA-N 452.605 4.272 10 10 JICE CC(C)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 103494096 FDWJWQGVXHOJQM-HRGNJQJKSA-N 479.518 4.328 10 10 JICE O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586692975 QRFKOSAQTMETGY-IBGZPJMESA-N 469.497 4.015 10 10 JICE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 728745378 VKQONENTCFWHGU-HXUWFJFHSA-N 450.652 4.365 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)cc1OC 1858589962 RACZCBQCPBHBDJ-VCHYOVAHSA-N 459.618 4.474 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864014234 PVYQVSNAENRPIR-HSZRJFAPSA-N 490.604 4.019 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873164000 HHVSKOBOUYXWBT-UHFFFAOYSA-N 476.646 4.367 10 10 JICE COc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2079846795 IYOABIVDYYHMIX-QGZVFWFLSA-N 470.351 4.381 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079875756 YTLAHYKSBMJIJM-ZDUSSCGKSA-N 466.222 4.083 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1C 2293735614 YWZDYDFKHYTUQC-UHFFFAOYSA-N 486.549 4.412 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2294229121 WPFNXTBJPWGTAN-UHFFFAOYSA-N 480.933 4.487 10 10 JICE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2296546499 ZYBOIPINWHYUQO-UHFFFAOYSA-N 465.556 4.224 10 10 JICE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296711327 NGIMMHSTXGPSEJ-AWEZNQCLSA-N 481.599 4.050 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 2297347513 DBCQQSREKADJEJ-UHFFFAOYSA-N 451.866 4.408 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(OC)cc1 2297356985 ULLPDXPYJWHCJF-UHFFFAOYSA-N 485.992 4.004 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 2313549287 RVEFKOXFUBYJAR-UHFFFAOYSA-N 473.323 4.140 10 10 JICE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314541213 HNBZUHRKFYDITM-LBPRGKRZSA-N 485.370 4.173 10 10 JICE Cc1cccc2cc(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650594 QQFAEAHLAFQCEE-UHFFFAOYSA-N 492.626 4.239 10 10 JICE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)SC1=S 2331592384 DJBPARYXZBICEG-UHFFFAOYSA-N 470.572 4.290 10 10 JICE O=C(CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 1811484 PHLWNCYRCOWVBW-VIZOYTHASA-N 484.342 4.447 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2509029 PGNOHAULFADRCM-FOCLMDBBSA-N 469.426 4.204 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)n1-c1ccccc1 8935898 SOOGIBWKVUZKOA-RUZDIDTESA-N 467.472 4.345 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 59098827 RFGXZYFKVKPJTK-VJBWXMMDSA-N 469.468 4.138 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3ccc4noc(-c5ccc(C)cc5)c4c3)CC2)cc1 63671486 OUGUXUHRJHOIDH-UHFFFAOYSA-N 470.573 4.364 10 10 JICE C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 109180246 XJUJRWHHNYYPAS-GOSISDBHSA-N 462.512 4.468 10 10 JICE O=C(O)CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)SC1=S 210602413 GQRZNGFIQPSPHT-RBBIFSNSSA-N 457.529 4.355 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 526509008 CRYDWBLFQFQXAQ-DEOSSOPVSA-N 460.486 4.430 10 10 JICE CSCC[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 746424249 HBSNKQSZYODWTD-KMDXXIMOSA-N 481.662 4.050 10 10 JICE O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 1859473926 HGWGAZGZKLUWNG-UHFFFAOYSA-N 491.352 4.339 10 10 JICE CC[C@@](C)(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862201688 QVVADJGWXOFKKV-XMMPIXPASA-N 494.419 4.015 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868721751 ZGQHXQIEOZRWKP-IDISGSTGSA-N 489.591 4.210 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4c4nc5c([nH]4)CCCC5)nc(C)n3)CC2)cc1 1869303837 FSMIVTLDAZTZJQ-DEOSSOPVSA-N 473.625 4.064 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cccc21 1874178978 FPQSFNBKUHLZGT-UHFFFAOYSA-N 466.537 4.272 10 10 JICE COC(=O)c1ccccc1-c1ccc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)o1 2293531469 DZQUMEIHMMWAEN-UHFFFAOYSA-N 486.509 4.431 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1O 2294093793 QEYXWBTWBYJSGG-UHFFFAOYSA-N 473.323 4.343 10 10 JICE Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1C(=O)O 2297338441 ZOWKQBOGHLMMNO-UHFFFAOYSA-N 495.285 4.382 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2297347898 GIEKBJYEBKZIFF-UHFFFAOYSA-N 489.484 4.464 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NC2Cc3ccccc3C2)cc1 2313710621 ORFOPEKGERIMKA-UHFFFAOYSA-N 453.542 4.486 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2314413939 LYFOMRJXWGRZOX-AWEZNQCLSA-N 454.577 4.208 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831158 DSEFWXKTJBLUSN-UHFFFAOYSA-N 472.504 4.123 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Br)c1 20236801 QNUOUAXJXKRWSL-LWCDXBROSA-N 498.333 4.366 10 10 JICE CCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33424514 RBAGGGFXJBXLRL-PGMHBOJBSA-N 452.536 4.176 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(Br)c1O 59198125 UGCUKUXHTBBWMQ-SDQBBNPISA-N 496.111 4.433 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526601246 ADGFOQBAYQZYNP-QHCPKHFHSA-N 489.480 4.037 10 10 JICE Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 1860286942 UFUJYSJMCCPWCA-UHFFFAOYSA-N 477.557 4.442 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 1860747862 YWPFNMJCVOPEHT-UHFFFAOYSA-N 483.502 4.394 10 10 JICE Cc1cc(C)c2c(c1)c(=O)c(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)cn2C 1866220159 ZABQASDDAUYQBK-VWLOTQADSA-N 460.622 4.178 10 10 JICE Cc1cccc(O)c1Cn1nc(Br)c(I)c1C(F)(F)F 2079161398 OGNOIZYYDPQFFF-UHFFFAOYSA-N 461.019 4.331 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079858574 RWXBEJQMOWXWLC-CYBMUJFWSA-N 469.245 4.438 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC 2294095332 QBEVYTVOZMPSJP-UHFFFAOYSA-N 473.323 4.221 10 10 JICE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2296546096 MPAQERPDJGEBHG-UHFFFAOYSA-N 465.556 4.224 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296945806 HFOPKWNWJDESPI-UHFFFAOYSA-N 455.489 4.445 10 10 JICE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)c3ccccc32)cc1 2314716740 JZKUUEUXYLEJNG-UHFFFAOYSA-N 485.590 4.458 10 10 JICE CN(C(=O)CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 2314935925 TVADWWYQCCPQIN-UHFFFAOYSA-N 492.525 4.241 10 10 JICE COc1ccccc1CNC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331594970 WYJVZVOKOWBBKG-UHFFFAOYSA-N 470.616 4.248 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 2390627 CTJXKXRAQVPGNN-FMQUCBEESA-N 452.557 4.334 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 16401442 OIBCGANTIOUDQS-JOCHJYFZSA-N 459.424 4.356 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 35169186 MWVYMGKKHTVCJH-SXGWCWSVSA-N 455.253 4.385 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1C 59138826 OGHPRCPFNUBYRG-JCMHNJIXSA-N 471.513 4.198 10 10 JICE COc1cccc(CCC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694300 VXQXZOBMKXQRQY-UHFFFAOYSA-N 459.590 4.062 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1CCN1CCOCC1 96021769 GGJHYLMQTWRIPC-LDADJPATSA-N 479.967 4.042 10 10 JICE CCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 213201658 FYAFQZUOMVIVNC-ATVHPVEESA-N 453.545 4.025 10 10 JICE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCOC)C[C@H]3CCCN4CCCC[C@@H]34)cc12 1614472163 MIOJWYKVOMYQKF-QPPBQGQZSA-N 456.627 4.472 10 10 JICE CCN(CC)c1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860709430 RJJRGAZNMSGTTI-UHFFFAOYSA-N 455.558 4.427 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865028326 RXLLRJZOUKYZCQ-JOCHJYFZSA-N 494.979 4.343 10 10 JICE CC[C@@H](C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(Cl)cc1 1868835756 VJOUWRPVLSOAPT-DNQXCXABSA-N 472.029 4.332 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079037935 RRFVAEWLTWCJLO-GFCCVEGCSA-N 466.197 4.218 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc(N)c2C1 2163164850 KIFUNLDSDGCWOQ-VGOFRKELSA-N 472.630 4.398 10 10 JICE CN[C@H](c1ccc2c(c1)CCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268741919 KWMOKRXPSNTUSM-XMMPIXPASA-N 451.611 4.393 10 10 JICE O=C(NN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)c1ccccc1Br 2296052903 YBVCEWNNYYWDHK-UHFFFAOYSA-N 458.362 4.477 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296547634 PBLQBRKTJDXGAN-UHFFFAOYSA-N 498.630 4.224 10 10 JICE COc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296716211 KCUWPQNGCUKSKN-UHFFFAOYSA-N 480.615 4.172 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(C)(=O)=O 2297350661 OJIXFDVRFIFOLX-UHFFFAOYSA-N 489.518 4.458 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 20356661 KYAUDNVOIYZFCG-XTOVRFJNSA-N 484.585 4.156 10 10 JICE Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccc(N(C)C)cc4)CC3)n2)cc1Cl 34678308 UPDXBNOPLAYADC-UHFFFAOYSA-N 468.001 4.273 10 10 JICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 101341710 HLVBOJJAFACYBP-GRSHGNNSSA-N 494.437 4.488 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(F)cc12 103521942 BYWCGFMGBPSTTI-OEAKJJBVSA-N 491.548 4.289 10 10 JICE BrC1=CCCN(c2nnc(-c3ccccn3)n2CCCSc2nccs2)C1 1587545416 WSGYEDFXUVNFJX-UHFFFAOYSA-N 463.430 4.468 10 10 JICE COc1cc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc(OC)c1OC 1858590009 SWJMOVVJDAJIOS-LICLKQGHSA-N 450.626 4.223 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc4cc(-c5ccc(F)cc5)c(=O)oc4c3)CC2)cc1 1860254295 DYRBDUZTXOXKFO-UHFFFAOYSA-N 488.515 4.335 10 10 JICE CCOC(=O)C(C)(C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826532 GCDLPKSNUSDSHU-SFQUDFHCSA-N 460.577 4.006 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NC3CCCCC3)c3ccccc23)SC1=S 1860827201 UUSNGZHOVGMSLL-DEDYPNTBSA-N 485.631 4.156 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864010457 TVUFNGWBFBNBIS-XMMPIXPASA-N 496.567 4.223 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)N2CCCCC2)cc1 1865872603 MCIIWMBRSDZPLB-QFIPXVFZSA-N 477.436 4.133 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1866060992 FFBQTCKSYSEWKK-XZOQPEGZSA-N 490.570 4.206 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868748281 JVWDXDSNTDQXIF-IKLCSLPZSA-N 483.612 4.175 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868861013 YJESAHWHXLTLMH-HSZRJFAPSA-N 478.420 4.207 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871662194 WAZKIVOKBLGXKD-UHFFFAOYSA-N 482.032 4.402 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(N5CCN(C)CC5)cc4)cc3)CC2)cc1 1872884078 JVKRFNAOIDXBDL-UHFFFAOYSA-N 499.659 4.022 10 10 JICE COCCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420147 HOOUDBZANZVLLR-UHFFFAOYSA-N 494.935 4.494 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1OC 2297349408 YFHZREXOFWKWRX-UHFFFAOYSA-N 460.552 4.463 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(OC(=O)c5cccs5)cc4)C(=O)N=C3S2)CC1 2297353189 QKMDXYMXQQIVAZ-UHFFFAOYSA-N 479.587 4.276 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33438290 NHOUIUCCNWWMLS-LRHUTULQSA-N 486.663 4.090 10 10 JICE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 35419341 HPEOTXJTXWJPCK-CPNJWEJPSA-N 474.567 4.301 10 10 JICE CN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1F 35962133 XUPHPTLJKPCSKV-QFIPXVFZSA-N 452.917 4.268 10 10 JICE COc1cc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)ccc1NS(C)(=O)=O 71998349 GRXXYSCQPQWGMH-UHFFFAOYSA-N 492.395 4.489 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526264940 YZJZLZDLMWKPQP-XMMPIXPASA-N 461.470 4.375 10 10 JICE O=C(NC[C@H]1CCCO1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586623025 GDPCBFNOWARJGH-LJQANCHMSA-N 469.497 4.015 10 10 JICE Cc1cc(C(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)c(C)o1 917637783 GPBDXQWMKOSWNM-XMMPIXPASA-N 485.544 4.402 10 10 JICE CC[C@](C)(NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866565859 QFDIXQJEMYIUEI-VWLOTQADSA-N 461.905 4.048 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711617 QFZYGOIFPWXVRU-YKSBVNFPSA-N 469.601 4.126 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873162528 ZZFFTBAEVJXNIJ-AREMUKBSSA-N 499.611 4.194 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873165136 DFXBGAMCIZZSIH-UHFFFAOYSA-N 477.630 4.493 10 10 JICE Oc1c(Br)cc(Cl)cc1CNC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2 2175204268 YTOYKFHSDYBVCA-UWJYYQICSA-N 451.792 4.189 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2293069221 SFCSSSHJSDHNLU-UHFFFAOYSA-N 456.545 4.014 10 10 JICE CC(=O)O[C@H]1[C@@H](N2CCCCC2)c2c(ccc(C=CC(=O)N3CCCCC3)c2O)OC1(C)C 2295103349 FRDWBYRDTKNHAO-ZCYQVOJMSA-N 456.583 4.048 10 10 JICE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)c1 2296157096 HLQCJXNPYHGLDL-UHFFFAOYSA-N 459.502 4.086 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2296538557 XRQGNYKLUFQTBA-UHFFFAOYSA-N 465.600 4.352 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 2297334823 XXCFFPPWZWLEIH-UHFFFAOYSA-N 496.386 4.394 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(O)c(Br)c1 2297342048 DDZMVXUWRKMTAW-UHFFFAOYSA-N 456.079 4.128 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314831385 JVUSYSIBJDPMNY-UHFFFAOYSA-N 468.600 4.316 10 10 JICE CS[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2381137700 PTLHPCXJPGWDCT-SWLSCSKDSA-N 461.422 4.066 10 10 JICE COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)N=C2O)cc1OC 33149764 WSCPBXOSYNXVDD-PDGQHHTCSA-N 466.490 4.051 10 10 JICE CN(C)c1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 38168488 UAJLBBZPCUCHSB-FOCLMDBBSA-N 460.378 4.243 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C(F)(F)F)c(Br)cc(Br)c21 39899499 UJHNIWHGMAFUOJ-UHFFFAOYSA-N 477.030 4.488 10 10 JICE Cc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 39919755 RAXDFOLVWVYXTF-DEOSSOPVSA-N 464.953 4.391 10 10 JICE Cc1cccc(C)c1OCCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCC3)SC2=NC1=O 102464014 PLFCLIMLJLUGHN-YKYBXDQRSA-N 476.606 4.247 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 104372319 MTNPACHTBZQUJY-HTYYESGYSA-N 466.544 4.162 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC4CC4)[C@H]3C2)cc1 245280394 PBYCTIGDVTWNFS-FYYLOGMGSA-N 459.512 4.108 10 10 JICE CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)CCC[C@H]2C1 1637124548 LNEKIBYKVXNROK-DSKINZAPSA-N 458.400 4.233 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)C1 1749801121 BTSAAILDEOSOKQ-FQEVSTJZSA-N 484.695 4.121 10 10 JICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)SC1=S 1860826574 ICEKUYXSHAHZPL-ZCXUNETKSA-N 476.938 4.072 10 10 JICE COc1ccc(C2=NN(C)C(=O)/C2=C/c2cc(Br)cc(Br)c2O)cc1 1865673263 ZDVCXAJOBGSORB-RIYZIHGNSA-N 466.129 4.186 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1866020282 BYVDBASAPWGJAH-RUZDIDTESA-N 465.598 4.218 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522483 NLAHSSQPRSSNEF-UHFFFAOYSA-N 482.032 4.484 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)cc1I 2060621522 OMNZJWBEQXBHKT-LLVKDONJSA-N 457.272 4.163 10 10 JICE CC[C@H](N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 2092393246 ODZLIBQNUDNFAA-XUVXKRRUSA-N 463.372 4.279 10 10 JICE CCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)s1 2296881721 XQTXULYHCXMJGJ-UHFFFAOYSA-N 497.465 4.483 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4C(SCC)=NSC4=NC3=O)o2)cc1 2297333770 PIVJPFKQSODQCL-UHFFFAOYSA-N 454.533 4.453 10 10 JICE CC(=O)O[C@@H]1[C@H](N2CCCCC2)c2c(ccc(/C=C\C(=O)N3CCCCC3)c2O)OC1(C)C 6073941 FRDWBYRDTKNHAO-YPCUSZHPSA-N 456.583 4.048 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3cccs3)CC2)cc1 20289526 WPWQNBYEUQNJRZ-HOYKHHGWSA-N 455.649 4.429 10 10 JICE COC(=O)[C@@H]1[C@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 37243321 ORNWOBUOFMEOMA-DSITVLBTSA-N 465.505 4.302 10 10 JICE biogenic C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Br 1705622621 NOGRIURETOQVGZ-UHFFFAOYSA-N 468.399 4.347 10 10 JICE CCNC(=S)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858912140 DXHFKXAXVVRSOI-UHFFFAOYSA-N 459.527 4.057 10 10 JICE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(C)s2)cc1 1859573692 XXLVXWFZPJXZFP-UHFFFAOYSA-N 470.576 4.107 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864021269 OKOJLTDCMMQCCS-UWJYYQICSA-N 470.614 4.436 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865030374 IQQZUIDBGSYMSU-HSZRJFAPSA-N 488.588 4.331 10 10 JICE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1866833753 OOCBIMGYOFVAHZ-UHFFFAOYSA-N 492.535 4.103 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(F)c4)n(-c4ccccc4)n3)CC2)cc1 1869971131 YPLHGBLXDYSYDR-XNTDXEJSSA-N 498.562 4.394 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(Cl)c3C)CC2)cc1 1873536053 CPAASUUEQYHTCK-UHFFFAOYSA-N 461.953 4.078 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(C)CC3)ncnc21 1873552090 GJLXKLXTEINZHU-UHFFFAOYSA-N 490.652 4.439 10 10 JICE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 2059456598 PFLUKGAQSUAPIC-AREMUKBSSA-N 474.557 4.320 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(C(=O)O)c1I 2080013128 YRSGMBRNIRJUJG-CYBMUJFWSA-N 456.280 4.167 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cccc(OC)c1 2293429959 BWLOXUTTXZOPEX-UHFFFAOYSA-N 474.513 4.013 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 2323733152 FELSKDRXDKEADJ-UHFFFAOYSA-N 454.617 4.378 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 16911960 LWRNACYMPSPSFD-XDHOZWIPSA-N 457.529 4.157 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 16914764 FEVSJROCGOJWCR-VWLOTQADSA-N 470.038 4.484 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1Cl 38173054 LEVFCSBOJOBIPU-IZZDOVSWSA-N 451.660 4.323 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1 56896148 ZPVWRXFBRZSFAZ-DEOSSOPVSA-N 450.970 4.037 10 10 JICE Cc1ccc(C)c(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1 102463991 JTJGGFDMMZEEAH-PTLCIYQVSA-N 490.633 4.493 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](NC(C)=O)CCO3)cs1 170549503 UMQXNIKPEWSYSH-GOSISDBHSA-N 487.603 4.196 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)cc1 210440421 BMLHYGVQRMRUCK-RGEXLXHISA-N 484.599 4.384 10 10 JICE O=C(NCc1ccncc1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586613243 LKLUUJFOCHDDIO-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CCc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858227189 YUGCXIGQDSDDQZ-UHFFFAOYSA-N 483.572 4.120 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2)c1 1860866715 MILSPTYNGMHNCN-UHFFFAOYSA-N 460.553 4.035 10 10 JICE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873165595 QLSRAWJYNZNXHX-UHFFFAOYSA-N 483.568 4.303 10 10 JICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419545 KDRCVZDTDZZHOI-DEOSSOPVSA-N 499.567 4.252 10 10 JICE CN1CCc2cc([C@@H](O)[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2058200292 VIUYVGUEXADLGC-NAKRPHOHSA-N 472.541 4.094 10 10 JICE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297510455 FXZGXLIDYOHAJA-UHFFFAOYSA-N 452.580 4.197 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 2297554494 AAPLGUAZOKDACP-UHFFFAOYSA-N 482.583 4.296 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 2313543564 NBEUAIJWDGVBQN-UHFFFAOYSA-N 464.319 4.469 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O)C(=O)O 2314933664 WWGBEDHRUGIXES-HNNXBMFYSA-N 476.963 4.128 10 10 JICE CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14543676 VWVBPTFXXFZMDU-FGJSELGCSA-N 454.592 4.369 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(OC)c1 20236697 GRGVABZIPPBBSO-IDFHAWAUSA-N 481.892 4.417 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33855372 KYTDSSSMAPOSCU-HMMYKYKNSA-N 494.642 4.243 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)NC(C)(C)C)c(OS(=O)(=O)CC)c1 36009357 BQSHHYXIARAMHH-UHFFFAOYSA-N 465.616 4.365 10 10 JICE COc1ccc(C2=NN(C(=O)COc3cccc(C=O)c3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413255 WTRBENYTBICENK-SANMLTNESA-N 457.530 4.330 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC 1083984108 OPCSVZYBXMKBCQ-DHDCSXOGSA-N 473.323 4.140 10 10 JICE C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347210 BVBZQDBDFPNQCK-RKQHAZBESA-N 456.590 4.483 10 10 JICE CC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896571 MKEXHCCDVKQFFZ-UIOOFZCWSA-N 464.654 4.221 10 10 JICE COc1ccc(OCCN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166818 IJULQPNCRGUNQG-UHFFFAOYSA-N 473.573 4.260 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079858575 RWXBEJQMOWXWLC-ZDUSSCGKSA-N 469.245 4.438 10 10 JICE CCOc1cccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1O 2140778755 QVXJJVYKMZZIOI-UHFFFAOYSA-N 467.607 4.079 10 10 JICE CCc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 2297352716 OSRFPAVQZCBFER-UHFFFAOYSA-N 476.606 4.192 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929272 KEKWAKAHEMZOLY-MRXNPFEDSA-N 476.963 4.128 10 10 JICE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2318658506 QSXPJZHCQWYNRQ-XMMPIXPASA-N 472.541 4.300 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641135 WVTOOCVUEZRZTL-IXFSTUDKSA-N 450.535 4.011 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@H]21 14469099 KRVAYLSJLVDCIZ-XLNZFTOWSA-N 450.535 4.213 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3OC)CC2)cc1 16891177 FVLPPZFQZGZKMS-DFBJGRDBSA-N 465.619 4.447 10 10 JICE CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 33725698 WEOCWTHMIRNXAT-RQZCQDPDSA-N 476.308 4.043 10 10 JICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989690 QEINHJKFWRUCHV-HNIBHBHRSA-N 458.653 4.142 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3ccc(SCc4csc(C)n4)cc3)CC2)cc1 742919630 AMRPYIUDPUTTCX-UHFFFAOYSA-N 482.675 4.304 10 10 JICE C/C(=C/c1ccc(Br)o1)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1519556404 UABZCXZLSBPGAO-VKAVYKQESA-N 458.400 4.294 10 10 JICE O=C(O)Cc1sc(NS(=O)(=O)c2ccc(Br)s2)nc1-c1cccs1 1858003999 ILLNEGWVRNAJBC-UHFFFAOYSA-N 465.397 4.124 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCCC2 1859478995 UCASKYONNMOASA-ZDUSSCGKSA-N 476.982 4.457 10 10 JICE CCCC[C@H](NC(=O)c1ccc2nc(CCC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862106047 FPAQRJBAUDXSTG-DEOSSOPVSA-N 491.636 4.161 10 10 JICE CCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862196206 NDKFVCHXOSLJJK-NRFANRHFSA-N 494.419 4.015 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864009143 AJQROIMZUKSXSN-WZONZLPQSA-N 491.592 4.157 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013361 WOWBFSBBVVAZMC-GAJHUEQPSA-N 490.604 4.213 10 10 JICE Cc1cc(C)cc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1 1866288601 IWKMNAMLEUTWGH-SANMLTNESA-N 487.648 4.181 10 10 JICE CCCC[C@H](NC(=O)Cc1ccc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867257667 ANLORXKJNIZZIT-QFIPXVFZSA-N 458.514 4.220 10 10 JICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(-c5ccccc5C)cc4)c(=O)cc3O)CC2)cc1 1870130451 MMZYPOHOCHMUKA-UHFFFAOYSA-N 495.579 4.490 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419456 GAQJCNDSDPUWKR-HSZRJFAPSA-N 499.567 4.236 10 10 JICE CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n2)cc1 1890918205 VJGWLNYRYHWCCU-PTLVVNQVSA-N 472.589 4.175 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079037990 SLOGQGDYJSYLEL-ZDUSSCGKSA-N 479.240 4.009 10 10 JICE C[C@@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)NC3=O)c3cc(OC(=O)c4ccccc4)cc1c32 2185889642 YUNGFZCNKXEFER-JFLJVCDGSA-N 464.568 4.397 10 10 JICE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)S1 2293771942 XWICAQACJOHWTB-UHFFFAOYSA-N 465.314 4.377 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296541871 CFPPEDDIYLIBKE-HOTGVXAUSA-N 456.637 4.095 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 2296885414 TZBNIXRFBBFGQF-UHFFFAOYSA-N 471.585 4.153 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OC 2297559133 RZCIJRLAOVORDH-UHFFFAOYSA-N 451.331 4.232 10 10 JICE COc1ccc([C@@H](CN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)N(C)C)cc1 2323879898 OWLZOJKYPYTLLK-GOSISDBHSA-N 488.631 4.225 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(I)c1OC 33319813 GBMATOMSDMGENE-ZSOIEALJSA-N 492.269 4.124 10 10 JICE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990103 ONWBYGJSVBPSSU-JYAVETKUSA-N 458.653 4.142 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)cc1 59860192 YXNJVISTOQXACI-HKWRFOASSA-N 464.478 4.491 10 10 JICE COc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 103040852 TYCFIBNBTKJLQL-NWGMWSOJSA-N 465.600 4.125 10 10 JICE CCC[C@@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862207719 LSEXQSLHOKHQQP-RUZDIDTESA-N 481.637 4.105 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864007780 UZFBWDIHQGABDW-FYSMJZIKSA-N 482.540 4.164 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864020202 WXVYFWJKAOKWOT-GAJHUEQPSA-N 490.604 4.131 10 10 JICE CCOC(=O)[C@H](C)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866267215 FGOUBHQKVFCZGW-SNVBAGLBSA-N 454.342 4.410 10 10 JICE CCCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857035 OVYPKOPOGXKGEV-RRPNLBNLSA-N 495.664 4.467 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1C 1873425862 NZFQUFXLTVWRFD-UHFFFAOYSA-N 498.627 4.235 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079879347 BMDVAXBKKLAUFJ-CQSZACIVSA-N 462.234 4.342 10 10 JICE Cc1cc(O)c([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079952510 JLARNTZCRVGCAT-KRWDZBQOSA-N 467.351 4.422 10 10 JICE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccc([S@](=N)(=O)O)cc2)o1 2293020882 UCEDBQVCRDBPDM-UHFFFAOYSA-N 451.460 4.330 10 10 JICE COCCN1C(=O)C(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)NC1=S 2297560232 CSVCSGDVMGWGGP-UHFFFAOYSA-N 469.566 4.116 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(C(=O)OC)cc2)SC1=S 2314769712 ULLAUSOTDAQFQI-IBGZPJMESA-N 455.557 4.369 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1)C(=O)O 2314929015 GAHCVDIKZRQONM-MRXNPFEDSA-N 459.505 4.065 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1OC)C(=O)O 2314933992 XNHYBLFDXUWEKF-QGZVFWFLSA-N 457.573 4.381 10 10 JICE COC(=O)c1ccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2457268 BOOYTVOEGITJSD-UHFFFAOYSA-N 455.470 4.406 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1ccc(O)c(O)c1)N2 20898571 BKWXYWIYXWUTPA-XMMPIXPASA-N 494.551 4.238 10 10 JICE CC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O 26840988 HXETVTOHTZTQSP-UHFFFAOYSA-N 450.476 4.352 10 10 JICE Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 33457972 SETHMFTWFRAPAW-HZHRSRAPSA-N 490.585 4.191 10 10 JICE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)C2)cc1 64926544 RTKSCURUWYGRJC-DEOSSOPVSA-N 495.627 4.044 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccc(C=O)cc3OC)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413215 CODVXSVABJYSTA-VWLOTQADSA-N 487.556 4.339 10 10 JICE O=C(Nc1ccc(C(=O)NCc2ccccn2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586692928 QJUAHCXWBKYYSG-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COc1ccc(N2CCN(CCNC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 730536587 GJHSXZXIDMCCRO-UHFFFAOYSA-N 492.567 4.195 10 10 JICE CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H](C)Cc1ccc(OC)cc1 731336340 YNRTXWJMMQUOFD-MRXNPFEDSA-N 472.497 4.472 10 10 JICE CCN(C(=O)/C=C/c1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1858130843 PURNQPPZUMCVIQ-URZUPRTMSA-N 454.514 4.162 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 1859573959 XXZSTAXPGLEVLA-UHFFFAOYSA-N 463.968 4.466 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccc(F)c1 1860344973 LKQUIGUPTTZBOE-UHFFFAOYSA-N 466.516 4.420 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc4ccccc4n3C)c3ccccc3)CC2)cc1 1862079406 LINPLONNPSTYRE-HHHXNRCGSA-N 482.584 4.007 10 10 JICE Cc1ccc(S(=O)(=O)n2cccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1865961071 PQWXUDQGPGGVEP-SANMLTNESA-N 494.661 4.057 10 10 JICE CSCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905651 XVWGGUFYWRCWOD-UIOOFZCWSA-N 496.721 4.256 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C3CCCCC3)C2=O)cc1 1873168696 GJJUJDXWGMCBOO-UHFFFAOYSA-N 457.578 4.062 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168801 JWUVMBNOTIXHRN-JOCHJYFZSA-N 495.583 4.019 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(Cl)cc3)cc1C2=O 1873884074 UHTLWKZNCUAUKC-UHFFFAOYSA-N 477.856 4.218 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716205 IUANQIQBGWOFIL-OAGGEKHMSA-N 456.637 4.177 10 10 JICE COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccccc4C)s3)=NC2=O)cc1 2314951814 KVVBWNBJXIMHDI-UHFFFAOYSA-N 497.627 4.090 10 10 JICE CN(C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)C1CCCCC1 2326945334 VGPYSKIANRGNKR-UHFFFAOYSA-N 499.658 4.498 10 10 JICE COC(=O)c1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331595120 PVYCKIINSBRQMR-UHFFFAOYSA-N 484.599 4.348 10 10 JICE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33723224 IJJNBOSWNBJDKB-CAPFRKAQSA-N 476.627 4.493 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCC[C@H](C)C2)SC1=S 39989682 NJLDNEYOKAQEQA-CCRNYGKSSA-N 458.653 4.286 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 730540159 DUPCNFSWZSPVII-OZWPHOJSSA-N 450.579 4.306 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)CC1 1638587975 VQRVKYJFTTWKAW-NRFANRHFSA-N 457.574 4.106 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)C(F)(F)F)cc1 1858901426 FVFBLKACSQCUJG-UHFFFAOYSA-N 468.387 4.251 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)c3)c2)c1 1860833164 IEVIKLIQMFIXSK-UHFFFAOYSA-N 466.541 4.467 10 10 JICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864009829 LGOMJDOYBDALNB-QFIPXVFZSA-N 468.598 4.182 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864022157 UWBKSSUNNWMXMM-OAQYLSRUSA-N 496.995 4.177 10 10 JICE CCN(CC)c1ccc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866472723 HCIGVCGGYXKNBF-MHZLTWQESA-N 489.664 4.397 10 10 JICE CCC[C@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868841453 FURXDDADWIAKDN-IZZNHLLZSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868936164 RTVDHZYNRHBEAK-UNMCSNQZSA-N 469.601 4.208 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](C)c3cccc(Cl)c3)CC2)cc1 1868989155 KZGSFQFOBRGXMF-SFHVURJKSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)c(C)c4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869969340 ATPSSXNKMLMEGG-UHFFFAOYSA-N 496.615 4.202 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC[C@@H](C)C3)n4CC(C)C)CC2)cc1 1873550891 QPNRALGOLBUFJJ-OAQYLSRUSA-N 490.652 4.295 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccccc4F)c3)CC2)cc1 1874721873 IYXCBKLNVIRWOP-UHFFFAOYSA-N 475.564 4.411 10 10 JICE O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 2296727535 LFPJGMDYZHZTJW-UHFFFAOYSA-N 464.373 4.342 10 10 JICE CCCCOCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323744100 XTWULINOWQYKIF-UHFFFAOYSA-N 464.653 4.342 10 10 JICE O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10020984 QAPURCBLGZTTAZ-UHFFFAOYSA-N 467.930 4.308 10 10 JICE CCCCN1C(=O)/C(=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 33716611 KTHKHHNROTZUBX-NBVRZTHBSA-N 467.572 4.497 10 10 JICE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990062 WCTIETIYVMVQFH-MXDDHBLUSA-N 458.653 4.284 10 10 JICE COc1cc(Cl)c(OC)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866522645 RDEXLQBERULADE-UHFFFAOYSA-N 488.883 4.226 10 10 JICE C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866613281 VFPPAUQAHFNSKP-QGZVFWFLSA-N 463.493 4.010 10 10 JICE CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866934621 FWVYLTGCSTUYCZ-LEWJYISDSA-N 470.500 4.238 10 10 JICE C[C@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1868147829 UTMTUGWWXSNKHQ-AWEZNQCLSA-N 491.341 4.083 10 10 JICE CC[C@@H](C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868837597 QSYZOHLBHQBEHU-JOCHJYFZSA-N 458.002 4.086 10 10 JICE COCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167251 YGOPONIUYGDYJM-UHFFFAOYSA-N 461.537 4.139 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873169015 UXQYMAKNTSKWNY-OAQYLSRUSA-N 479.584 4.491 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873170771 PRFHFGHCXWNREA-UHFFFAOYSA-N 486.591 4.197 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873549164 APDOUJZESULWRR-UHFFFAOYSA-N 498.631 4.449 10 10 JICE CN(C)Cc1cc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1952277202 NUUBTPUZSYZOLW-HHHXNRCGSA-N 460.530 4.292 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079952854 OIPAQXIQKAPAHY-QGZVFWFLSA-N 455.340 4.278 10 10 JICE CCc1nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c(I)c1C(=O)O 2079977308 KINWRUXLEHOJHW-HNNXBMFYSA-N 458.296 4.098 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079999094 UUKYMVGDPDQFEX-GOSISDBHSA-N 465.335 4.176 10 10 JICE COC[C@]1(NCc2cc(Cl)cc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2157560674 RVYDLNWIFAPUSP-IBGZPJMESA-N 463.800 4.314 10 10 JICE O=C(O)[C@@]1(COCc2ccccc2)CCN(Cc2cc(Cl)cc(Br)c2O)C1 2159929164 RPDVEAIGVNZQDT-FQEVSTJZSA-N 454.748 4.302 10 10 JICE CCCCOc1ccc(Br)cc1C=C1SC(=S)N(CCC(=O)OC)C1=O 2293139934 WSYNRRBDBGARFM-UHFFFAOYSA-N 458.399 4.392 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O 2297342239 HGUOERVZZSOWQC-UHFFFAOYSA-N 486.105 4.137 10 10 JICE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 2297555700 KDMZNDVUKZAWNE-UHFFFAOYSA-N 458.514 4.232 10 10 JICE COc1ccc(Br)c(CNCCC23CC(I)(C2)C3)c1O 2381341070 GDDIYQIWEUUSFP-UHFFFAOYSA-N 452.130 4.001 10 10 JICE COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 6241491 YUABKYXKXRHVHS-LZYBPNLTSA-N 456.292 4.051 10 10 JICE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468520 MVHRELOAXGMVLE-WZOHSFFVSA-N 468.575 4.232 10 10 JICE CC(/C=C1\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O)=C\c1ccccc1 15040508 DDYMSRQZQMZURG-SRKLUXGOSA-N 460.621 4.376 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Br)cc1 20236078 QMVNMUWAAVLRRX-NRMLNOAJSA-N 468.307 4.487 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(OC(=O)c5cccs5)cc4)C(=O)N=C3S2)CC1 20356728 QKMDXYMXQQIVAZ-PEHQALCWSA-N 479.587 4.276 10 10 JICE CCCc1nc(N2CCN(Cc3ccccc3O)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37380668 ARLHCAWYMNAMGZ-UHFFFAOYSA-N 460.557 4.243 10 10 JICE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 59859940 OEDOMHGYWLUEIH-XMHGGMMESA-N 464.478 4.491 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@H](c1cccc(OCC)c1O)N2 65298378 XJSUCKRUHHJDJI-JOCHJYFZSA-N 467.566 4.272 10 10 JICE biogenic CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413676 GZWQRMWJOQZOSK-IQDKPADRSA-N 470.554 4.450 10 10 JICE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1 586663883 OQJVRAMJAYLOBJ-IRXDYDNUSA-N 483.524 4.355 10 10 JICE CN1CCCc2cc(CNC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)ccc21 727602440 OQKKUIRJDBBZOW-HSZRJFAPSA-N 452.986 4.380 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1083898663 BJECWUBJVWYWKG-LFIBNONCSA-N 451.435 4.134 10 10 JICE COc1ccc([C@H](CN2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)N(C)C)cc1 1858594411 YJAAIJSCNIQVKD-XAJRUKRBSA-N 452.605 4.155 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858608404 FBGRWGVFGITGRW-UHFFFAOYSA-N 462.527 4.270 10 10 JICE O=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860507004 IXGLZBIYMAKWMO-UHFFFAOYSA-N 461.477 4.291 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4c(F)cccc4F)CC3)cccc21 1860605526 KZCCGGBXGUXNHQ-UHFFFAOYSA-N 488.490 4.160 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864013989 KQWVZHFAKYEZRJ-OAQYLSRUSA-N 496.995 4.321 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccccc4C)n3)CC2)cc1 1867959979 FCCHATWBTXQXIL-FGZHOGPDSA-N 473.621 4.401 10 10 JICE CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870438854 AVKYIFIRZUNHIM-UHFFFAOYSA-N 467.997 4.431 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164319 WHPPUBDXOHVAJN-UHFFFAOYSA-N 472.589 4.174 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873164691 NORXYHOGVDJOKA-VWLOTQADSA-N 485.584 4.022 10 10 JICE CCCOC(=O)c1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873992907 QCVDIHPWFCQQKE-UHFFFAOYSA-N 466.493 4.212 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccccc4)c3)CC2)cc1 1874720505 MKERWXNKYKGSFM-UHFFFAOYSA-N 457.574 4.271 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCC(C)C)ncnc4n3Cc3ccco3)CC2)cc1 1875232495 KTDPHXIOKHFSCN-UHFFFAOYSA-N 488.592 4.112 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C=O)c2I)c(O)c1 2079875860 AHRROKLOLNXLFG-CQSZACIVSA-N 450.223 4.197 10 10 JICE CCCOc1cc(N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)ccc1N 2236200175 KYUOZGXLFOMACO-UHFFFAOYSA-N 478.634 4.352 10 10 JICE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296703453 OWBDUDKUOMANDS-INIZCTEOSA-N 468.648 4.465 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N12 2297333795 SJOHJWLFHVFSOE-UHFFFAOYSA-N 460.924 4.482 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c1 2297352569 BNVVVRSNJZZZCD-UHFFFAOYSA-N 492.605 4.174 10 10 JICE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)c1C 2297470366 FIABQZHHQFBHSD-UHFFFAOYSA-N 488.617 4.343 10 10 JICE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314740289 FXXPRWQEEOTUOA-UHFFFAOYSA-N 457.573 4.429 10 10 JICE Cc1ccc(CN=c2[nH]cc(C3CN(C(=O)OC(C)(C)C)C3)s2)c(O)c1Br 2381131327 MCGRVQAYIZMFTJ-UHFFFAOYSA-N 454.390 4.288 10 10 JICE Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)c(Br)c1 13073957 LOERHRYBPBVMIB-QVYJARAXSA-N 496.360 4.147 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683925 VBZMUSLGHQWUMJ-OZAHESQGSA-N 464.562 4.448 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33329880 DYVWYBWTMMFIAG-FYJGNVAPSA-N 499.454 4.137 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3OC3CCCCC3)SC2=S)s1 39793657 OADJBQVQRAOJAG-BOPFTXTBSA-N 474.633 4.398 10 10 JICE CC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 109203727 XGHKUGJJPOBPSD-UHFFFAOYSA-N 463.500 4.000 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226649787 CMTKLYDJAMKXDR-YDLHNXBPSA-N 464.562 4.448 10 10 JICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864007726 SRGVKLCXQQJPTG-RUZDIDTESA-N 496.567 4.220 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869969928 AKGLRBNENPPTPC-LJQANCHMSA-N 462.598 4.111 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc(C)cc4)cc3)CC2)cc1 1872718349 NWCDBZDUFUEYPV-UHFFFAOYSA-N 452.576 4.094 10 10 JICE Cc1ccc([C@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2078993843 JWHAGPCTBRSHEZ-INIZCTEOSA-N 452.292 4.467 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080030502 NNZQHBFIZBBSON-MRXNPFEDSA-N 482.318 4.341 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837038 NKIINNAAOQXSDW-NSHDSACASA-N 463.378 4.383 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(C)cc3O)C2=O)cc1 2321624724 BXDQIYDNYVIQIK-UHFFFAOYSA-N 456.589 4.354 10 10 JICE COc1ccc([C@H](CN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)N(C)C)cc1 2323879899 OWLZOJKYPYTLLK-SFHVURJKSA-N 488.631 4.225 10 10 JICE Cc1cccc(C2=NN3C(=N)/C(=C\c4cccn4-c4cccc([N+](=O)[O-])c4)C(=O)N=C3S2)c1 32964263 UOQYDEGCUVHJES-HRGNJQJKSA-N 456.487 4.361 10 10 JICE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 33248304 VXXYKCMQVHEYKN-LICLKQGHSA-N 470.319 4.093 10 10 JICE O=C(Cn1cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)N1CCCC1 33760891 KVANPTAOTJGMNO-CIAFOILYSA-N 462.600 4.060 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 33910569 VRXCHADKMYIZCY-KNTRCKAVSA-N 464.616 4.350 10 10 JICE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc(Br)cc4)c3O)C2=O)c1 38179506 UTTNJZVRKSAZFN-WQRHYEAKSA-N 481.306 4.464 10 10 JICE N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(N3CCCC3)=NN12 102463936 AFFGZPUXLNDKAD-VHYXQTFXSA-N 495.992 4.470 10 10 JICE C[C@H](Nc1cc(I)cc(I)c1)c1ccc(O)cc1O 709784341 KRAWZIPCICBMKZ-QMMMGPOBSA-N 481.071 4.480 10 10 JICE CC(=O)N1CCC(N(Cc2cncs2)C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 1556747863 CJJYZTUUWBJDJG-UHFFFAOYSA-N 450.608 4.133 10 10 JICE O=C(Nc1c(Br)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1859544889 SYTVRQSQMCCUCV-UHFFFAOYSA-N 493.313 4.238 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862118562 QVEREBIKANAXDL-AREMUKBSSA-N 487.625 4.226 10 10 JICE COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923347 JRLQGFVWHFBVCX-YKSBVNFPSA-N 499.055 4.111 10 10 JICE CC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679107 QKGQPXRAXLKBIO-WZONZLPQSA-N 458.002 4.086 10 10 JICE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869489 SFOQJNJVJHHGBK-BJKOFHAPSA-N 470.013 4.086 10 10 JICE CCCCOC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871202414 WZEYKVQAJIPGCU-HXUWFJFHSA-N 479.577 4.307 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873165019 DKRXFHHNMFCYLN-UHFFFAOYSA-N 482.584 4.134 10 10 JICE COc1ccc(CN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166154 DYUYHFWJQMWQCA-VWLOTQADSA-N 485.584 4.151 10 10 JICE CN(C)Cc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1951983838 YFQQBDDFPMEVFX-QHCPKHFHSA-N 460.530 4.161 10 10 JICE Cc1ccc(Cn2nc(I)c(Br)c2C(F)(F)F)c(O)c1 2079180513 UFGYAXSNGLOAAS-UHFFFAOYSA-N 461.019 4.331 10 10 JICE O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)SC1=Cc1cccc([N+](=O)[O-])c1 2296154488 CUUDIJMXJXFKCT-UHFFFAOYSA-N 462.453 4.406 10 10 JICE Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2296659682 KGCOPMRRBHHFBJ-UHFFFAOYSA-N 469.497 4.284 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCc1ccccc1 2296881495 KMTWXAJACCNQPY-UHFFFAOYSA-N 461.406 4.009 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCCNC=C1C(=O)N(c2cccc(Cl)c2)N=C1C 2297322638 FBEGYYAFSDCXLT-UHFFFAOYSA-N 497.386 4.086 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2314731604 CCBSWKJLTJNGIU-UHFFFAOYSA-N 459.545 4.295 10 10 JICE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(CC)N=C2c2ccccc2)cc1OC 2332139256 MBNJLKUEWFQPFD-UHFFFAOYSA-N 463.578 4.372 10 10 JICE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccc(Br)cc1 2332144799 OIVDXQSMZZDCJI-UHFFFAOYSA-N 456.174 4.411 10 10 JICE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CCN1N=Nc1ccc(F)cc1 254870336 VIFZJUSCGVOCJB-CQSZACIVSA-N 494.483 4.291 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)cc4oc(=O)c5c(c34)CCCC5)CC2)cc1 1860277370 KPDMFIHZFPWMFG-LJQANCHMSA-N 476.573 4.105 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864008997 WVXXOULTMZSNPK-XMMPIXPASA-N 488.588 4.185 10 10 JICE CC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868688644 HHBHEZLMELHVBT-SVBPBHIXSA-N 477.649 4.439 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccccn3)CC2)cc1 1870353579 XCGJMZZKOOKSEE-UHFFFAOYSA-N 476.621 4.047 10 10 JICE CCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366313 OXBJVRVBJPPQQU-UHFFFAOYSA-N 467.997 4.280 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079856430 RYJVXITZPIYMPN-CYBMUJFWSA-N 467.229 4.192 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cccc(I)c1 2194916250 NUXIHQXHSXVLLL-LJQANCHMSA-N 481.378 4.452 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294093835 VNRKWQPMBDITBG-UHFFFAOYSA-N 454.255 4.045 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OCC 2314767920 IXXYLZGOFOXMHK-UHFFFAOYSA-N 474.398 4.313 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469295 LTPKMFRRZGBUPH-DFIYOIEZSA-N 450.535 4.213 10 10 JICE CCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33459348 KUAYXJNRKSRDPT-BOPFTXTBSA-N 454.577 4.209 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478146 XVANKBBKLSFNQJ-DEDYPNTBSA-N 466.632 4.296 10 10 JICE Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3O)CC2)cc1 34683980 VZTMXUAEZNZHLY-UHFFFAOYSA-N 480.586 4.289 10 10 JICE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(CCOC)C2=O)CC1 40562572 PKYMUYJSXZVPPL-HKWRFOASSA-N 499.658 4.170 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1 96454287 JFUNFEXHUZDNAH-QJOMJCCJSA-N 458.514 4.313 10 10 JICE CCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(CC)CC)cc1)N(C(C)=O)c1ccccc1-2 261363225 QCOKXJMNWVGVJC-HSZRJFAPSA-O 450.588 4.008 10 10 JICE CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)CC1 731131537 MGEYYXHJEGJWOK-UHFFFAOYSA-N 486.620 4.163 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)cc(Br)c1O 1858587861 FPSZUQHTPGMEJM-MHWRWJLKSA-N 466.378 4.313 10 10 JICE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4cc(Cl)ccc4OC)sc3C)ccc21 1859573837 VFSIHDFORBHDGQ-UHFFFAOYSA-N 477.995 4.490 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc(O)c4)c4ccccc34)[C@@H]21 1860347528 TXVWIPGNENWZHT-AREMUKBSSA-N 452.514 4.133 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035417 SWLLOYFOIZIDJQ-QHCPKHFHSA-N 490.604 4.085 10 10 JICE CCOc1ccc(C(=O)N[C@](C)(CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867542384 UPVWUJUKPNHLDJ-LITSAYRRSA-N 494.680 4.393 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852918 AETFXFJVOUQZDK-IGKIAQTJSA-N 468.617 4.134 10 10 JICE CCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870332419 JPLFSRPVIWRYDT-UHFFFAOYSA-N 499.652 4.091 10 10 JICE CC(C)(C)OC(=O)N1CCSC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 2036050798 OBCRFROMARUFTM-ZDUSSCGKSA-N 451.814 4.250 10 10 JICE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1N1CCOCC1 2040479891 CJAVXQSEIQIORR-UHFFFAOYSA-N 451.367 4.158 10 10 JICE CN(CCCN=[N+]=[N-])C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2060618905 FUCZMJGEZHYNCZ-UHFFFAOYSA-N 459.288 4.411 10 10 JICE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 2084902579 DWSOWHCBCCICOZ-HNNXBMFYSA-N 455.571 4.380 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1 2294229036 IDVZGNZXPWMXMJ-UHFFFAOYSA-N 473.554 4.186 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4ccc(Cl)cc4)o3)CC2)cc1 9693870 SVJDALCGOZEFIS-WJOKGBTCSA-N 458.967 4.212 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC2Cc3ccccc3C2)cc1 21345132 ORFOPEKGERIMKA-ITYLOYPMSA-N 453.542 4.486 10 10 JICE COC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 37243108 MWQNMRAKXGFYHQ-DSITVLBTSA-N 465.505 4.302 10 10 JICE biogenic CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 210719476 FDQTWOZETZHRNM-XMHGGMMESA-N 470.572 4.189 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526282737 WFYXPZWPXLBBFO-DEOSSOPVSA-N 473.485 4.439 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526283134 SBKJLDPFTOFEKC-HSZRJFAPSA-N 459.458 4.049 10 10 JICE CC(=O)N1CCCc2cc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21 1476084443 QILVCSLJBGCLSM-IBGZPJMESA-N 458.509 4.378 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(Cl)cc4)c4ccccn34)CC2)cc1 1858228807 HBCHDJGWMKRWJC-UHFFFAOYSA-N 489.963 4.211 10 10 JICE CCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860768049 SOJQDVIGBJQUNB-UHFFFAOYSA-N 467.547 4.498 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccc(O)cc2)cc1OCCO 1870793133 MSWAPJGFVUPQFI-UHFFFAOYSA-N 457.530 4.329 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426227 RDNLGGPKHUQHFT-UHFFFAOYSA-N 491.555 4.128 10 10 JICE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Br)c(F)c3)n2)c1 1891983766 RSNGHWFTJYVWRD-UHFFFAOYSA-N 458.290 4.421 10 10 JICE CN(C)Cc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1951983837 YFQQBDDFPMEVFX-HSZRJFAPSA-N 460.530 4.161 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080042850 MIUMVBJNAAKZLV-INIZCTEOSA-N 484.334 4.285 10 10 JICE CCN1CCc2cc([C@@H](N)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106848599 KOHFGGCTIVWTMY-SQHAQQRYSA-N 450.627 4.238 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 2294204923 UGKWIQJWLAWJJE-UHFFFAOYSA-N 483.889 4.348 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 2294216881 LJWSBTJGKYJNFY-UHFFFAOYSA-N 491.544 4.160 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1 2297576697 MATIKXFSDGBVCO-UHFFFAOYSA-N 485.568 4.371 10 10 JICE CCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650507 KRWVOMFLEJEBIE-UHFFFAOYSA-N 468.648 4.246 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2314650555 OGYBOWCRHOSYEH-AWEZNQCLSA-N 463.558 4.052 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O)C(C)=O 2314926972 WRBZROZCGCEGLO-KRWDZBQOSA-N 457.529 4.243 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc2NC1=O 11857558 NJFIJLCOCJXEOS-CYBMUJFWSA-N 455.561 4.209 10 10 JICE Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)c(C)c1 14457828 WNNRKLXFSYZPRU-VRUMLPLGSA-N 451.636 4.374 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20682957 QPEYKYRHPLSQGK-IECBHUPTSA-N 470.591 4.323 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1nccs1 84494394 LWSDGKRAECTPCB-JLHYYAGUSA-N 455.533 4.365 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 102995128 NCTSKPVCAXPGHU-NBVRZTHBSA-N 467.572 4.033 10 10 JICE COc1ccc([C@@H](CNC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)N2CCCCC2)cc1 205608203 WKZPEEKFINBYHB-PXJFTPKESA-N 495.670 4.240 10 10 JICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864009383 GKBGDTYFKRTHCT-XMMPIXPASA-N 490.604 4.092 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864018471 LRMXVCFEXBXLMU-UZLBHIALSA-N 456.587 4.046 10 10 JICE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C(C)(C)C)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970448 JLHGYSZPPDGCRY-UHFFFAOYSA-N 490.652 4.340 10 10 JICE O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017004 KNKROKMWWUFETJ-UHFFFAOYSA-N 499.526 4.401 10 10 JICE C[C@@H]1N(Cc2ccccc2)CC[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194864573 SOIRKEDJLLKSCZ-RBTNQOKQSA-N 464.654 4.456 10 10 JICE CN[C@@H](c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccnn1Cc1ccccc1 2286069315 XQPMAUHJZMYVDF-VWLOTQADSA-N 461.610 4.297 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2296441589 POKLAPYLFQIXIW-UHFFFAOYSA-N 455.948 4.479 10 10 JICE CCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2296547666 YNJPXKDSNGATJZ-UHFFFAOYSA-N 476.627 4.177 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1C 2297342006 HFEMBOIBQSTMLH-UHFFFAOYSA-N 470.481 4.247 10 10 JICE Cc1cc(O)ccc1NC(=O)CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S 2297580266 VOPKNPVTMKQKIV-UHFFFAOYSA-N 450.488 4.142 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 2314836701 IRCWOIGETDLDDC-UHFFFAOYSA-N 463.606 4.258 10 10 JICE CCCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2318683273 ATDDIKJNWSXMEM-NSHDSACASA-N 460.371 4.008 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccc(Cl)cc1 2332141076 FKJIOVMPJSCZQE-UHFFFAOYSA-N 453.760 4.368 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469303 BGPABRCJPDRRHB-JJEXOMBSSA-N 462.546 4.356 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccccc4C(F)(F)F)c3[N+](=O)[O-])CC2)cc1 40588631 DFJKTFQZMAYQDR-UHFFFAOYSA-N 474.443 4.482 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CSc2nnc(N)s2)cc1 72413159 FSYKHIVKIFOYQB-SFHVURJKSA-N 473.027 4.310 10 10 JICE CC[C@@H](NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cc(Br)ccc1O 387937955 FQYCLYGKMYSYHL-AZUAARDMSA-N 463.372 4.233 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526622123 FOBRUMHBOKFFHN-VWLOTQADSA-N 475.497 4.269 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)N[C@H]4C[C@H]5CC[C@H]4C5)c4ccccc4n3)CC2)cc1 1614157139 OVMUQDPHWLLDNR-DYLHXGEVSA-N 456.590 4.488 10 10 JICE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)CCCN2C 1705491959 JUERZKMFQWOQGR-HXUWFJFHSA-N 492.668 4.281 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 1858591962 DQQRFJJLIIZHJG-UOBPLZBXSA-N 473.572 4.087 10 10 JICE CCc1cccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860593105 ZLZRQDFPJTWITI-UHFFFAOYSA-N 496.563 4.281 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008913 UYTISFRZVCKEFB-QHCPKHFHSA-N 476.577 4.291 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864016532 ROZRWZOAJYYAQH-FQEVSTJZSA-N 488.569 4.054 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)N2CCCCC2)cc1 1866532320 UUORLAOKQYTOOS-QHCPKHFHSA-N 497.437 4.314 10 10 JICE O=C(C[C@H]1CCCCO1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867253791 FURPWDBKACANNU-BCHFMIIMSA-N 482.536 4.217 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)C(C)C)CC2)cc1 1868869376 TZJYWVXSGYPJQS-RPBOFIJWSA-N 484.040 4.332 10 10 JICE C(=C1CCC2=C1N=C1N=NNN1[C@H]2c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 2040494957 AXMSHOHLXNQUBR-MHZLTWQESA-N 497.603 4.089 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl 2296398036 OQLODXOJLVDHGH-UHFFFAOYSA-N 451.822 4.483 10 10 JICE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2296728721 JNNKZPBLTOENIY-INIZCTEOSA-N 480.615 4.024 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(O)cc1 15037932 IVGIVDMDKHGODG-WJDWOHSUSA-N 463.378 4.385 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 40928518 JQKLVJKVMPTMTH-CAPFRKAQSA-N 492.663 4.259 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)OC(C)C)c(OCC)c3)C2=O)cc1 96577191 BSSDTFSTDHQFDY-HMAPJEAMSA-N 494.544 4.399 10 10 JICE CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)c(=O)[nH]c1=O 109547454 ZGMHHKWCHLAQQT-UHFFFAOYSA-N 483.588 4.158 10 10 JICE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526565547 LJGNMMAVTNVUFT-XMMPIXPASA-N 475.497 4.267 10 10 JICE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1I 727800016 QTPXEYCBJUUXDD-UHFFFAOYSA-N 487.135 4.143 10 10 JICE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 1212054776 OUTLDCNHNOTEIT-UHFFFAOYSA-N 457.379 4.212 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)CC1 1301636132 YRCSACIFEHTKLS-UHFFFAOYSA-N 492.074 4.080 10 10 JICE COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1 1616156265 XPMOPCUTJWKAAH-LLZJGCNPSA-N 459.638 4.129 10 10 JICE CCCCCCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862134364 WCKHOJPDZJJGNT-OAQYLSRUSA-N 467.610 4.121 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864007428 MLSKURGWGOQWIO-JOCHJYFZSA-N 494.979 4.389 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864010635 VGFZRGDGOXSYHE-YFZCUAFYSA-N 492.620 4.038 10 10 JICE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011704 KERCDXTWVUUQTQ-JOCHJYFZSA-N 494.979 4.058 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1869231897 KTTRWRUIWZUAMR-MHZLTWQESA-N 475.641 4.247 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN([C@@H](C)c5cccs5)CC4)nc(C)n3)CC2)cc1 1869300980 UEVLOTMXRALHSB-FQEVSTJZSA-N 478.666 4.065 10 10 JICE COc1ccc2c(C)c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1C 1874179767 OKLZXYSWSGPBSS-UHFFFAOYSA-N 467.477 4.375 10 10 JICE O=C(N[C@H](CC1(c2ccc(O)c(O)c2O)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952531244 BSIZHLBIVIGXKJ-OAQYLSRUSA-N 475.497 4.217 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(CN)c2I)c(O)c1 2080000767 ZDLJNMVKHWHMQQ-SFHVURJKSA-N 455.340 4.174 10 10 JICE CN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106853506 RQXAEKHVDZUFOU-RPLLCQBOSA-N 450.627 4.109 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2297336978 MUEXSBZJBRTIHR-UHFFFAOYSA-N 497.935 4.416 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c(OC)c1 2313541784 ZEFDZUIRDOWMBX-UHFFFAOYSA-N 493.497 4.012 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)O 2314932969 QSSYILCUZVLRQP-UHFFFAOYSA-N 453.900 4.357 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C(=Cc4ccccc4)c4ccccc4)n(C)n3)CC2)cc1 2331398794 LVQFWGOAECIEJS-UHFFFAOYSA-N 494.599 4.330 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 13639574 DAUSAVXFFABPLT-IPVFLDMMSA-N 462.571 4.445 10 10 JICE O=C(c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21)N1CCOCC1 14461035 IXXNHMYMMNQSPZ-ULYRPOKDSA-N 455.352 4.454 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CC=C[C@H]32)CC1 14470996 UFMFRVOEBNSNNA-PNLZDCPESA-N 452.942 4.462 10 10 JICE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15048721 CFDSSAQFKPUBJM-YKFFGAOBSA-N 464.568 4.172 10 10 JICE COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc(OC)c1OC 16914231 PPQRLEPRCABVMO-VWLOTQADSA-N 489.616 4.308 10 10 JICE Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 20352843 SQDMMJQZQTURJR-UNOMPAQXSA-N 464.524 4.499 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccc(O)cc1O)N2 20898560 OYADFNPWOUYHRP-DEOSSOPVSA-N 494.551 4.238 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 104371877 RWZDRTIPYDUJRM-ONNBZHDSSA-N 468.560 4.093 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526395484 NUWMSSHPNXFZES-DEOSSOPVSA-N 476.485 4.131 10 10 JICE CCOCCCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586615859 GTLLGDWIZJCELW-UHFFFAOYSA-N 471.513 4.262 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864013773 FYXQIXNTDNRDJV-CECAUBDESA-N 482.625 4.292 10 10 JICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1865029553 PWRIXFHDMOZXBX-XMMPIXPASA-N 484.556 4.308 10 10 JICE CC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054600 UBTXOZKTLWSTRS-KERYWQKISA-N 466.537 4.489 10 10 JICE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868700435 QESTXUYOTUUTFQ-JWQCQUIFSA-N 469.601 4.208 10 10 JICE CCCCN(CCCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1873543227 HSYBORHWNPLXPK-UHFFFAOYSA-N 478.641 4.346 10 10 JICE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c(O)c1 1873875975 YUNYULRKEOEKLX-MHZLTWQESA-N 466.541 4.441 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccccc4OC)c3)CC2)cc1 1874735799 UDGMWAQWECGFMC-UHFFFAOYSA-N 474.557 4.318 10 10 JICE Cc1nn(Cc2c(O)cccc2Br)c(I)c1C(F)(F)F 2079673255 NMPOWSMXYLDTKY-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2O)cc1I 2124110038 DDCLQIJNVJHXPE-UHFFFAOYSA-N 468.291 4.274 10 10 JICE N=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296070816 SOWDMWLNZDJJMZ-UHFFFAOYSA-N 457.490 4.467 10 10 JICE COc1ccc2[nH]cc(C=Cc3nc4ccc(I)cc4c(=O)n3C)c2c1 2297469801 YOXCAWWIAAGIRC-UHFFFAOYSA-N 457.271 4.198 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2313501996 UBUMKEATTIOZFX-UHFFFAOYSA-N 458.561 4.151 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314828349 RWQMRKKZXVHPCK-UHFFFAOYSA-N 491.388 4.377 10 10 JICE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1 2323686635 XSGJCYGCJFHQQT-UHFFFAOYSA-N 459.401 4.042 10 10 JICE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2358635550 FGEPANXMIAGZED-FIKGOQFSSA-N 472.630 4.302 10 10 JICE CCOc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2-c2ccc(Cl)cc2)cc1 11730560 BGXARBOJQOWCBL-UHFFFAOYSA-N 454.939 4.401 10 10 JICE CN(C)c1ccc(CNC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)cc1 33260181 MRVYMQOATHVFRU-UHFFFAOYSA-N 490.011 4.044 10 10 JICE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33528818 RSIHYAQINWDLKS-UHJWTQCCSA-N 498.674 4.374 10 10 JICE COC(=O)c1ccc(COc2cccnc2NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1858863387 USJHNBYMUNFCBN-UHFFFAOYSA-N 497.463 4.460 10 10 JICE CCCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC)C(=O)O 1860759092 SWOUMHPMXAEEOB-HNNXBMFYSA-N 480.970 4.252 10 10 JICE COc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860921215 OFGHERDFRZKDMH-CXUHLZMHSA-N 484.600 4.376 10 10 JICE CCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862209830 WMUYXPRVOVNERH-PXDATVDWSA-N 481.637 4.220 10 10 JICE CC(C)NC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870943668 HMFXCORZYNJJEF-UHFFFAOYSA-N 491.636 4.059 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871672772 VTSDYAQYDWXJHU-UHFFFAOYSA-N 489.668 4.403 10 10 JICE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2074369049 WZBVWEFYKQVLNH-ICSRJNTNSA-N 450.624 4.026 10 10 JICE Cc1ccc([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079048126 RANBUKHZGYVMOH-ZDUSSCGKSA-N 463.266 4.174 10 10 JICE O=C(CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 2296701584 HFKPCYVMXSEZQK-UHFFFAOYSA-N 499.617 4.486 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314836183 BGPIFNDGDSZCCH-AWEZNQCLSA-N 472.588 4.331 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)Cc4ccc(C)cc4)o3)CC2)cc1 9115806 OERHAERRCWCRRF-YTTGMZPUSA-N 452.576 4.008 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15038124 BTNPBOOIHBRZIO-UYRXBGFRSA-N 488.587 4.038 10 10 JICE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 15039994 XUGXABQCPKDOJO-AQTBWJFISA-N 456.545 4.014 10 10 JICE COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C)n(-c5ccc(F)cc5)c4C)CC3)n2)cc1 22603924 YUPBRNORJJPCFA-UHFFFAOYSA-N 489.551 4.250 10 10 JICE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2)C1=O)Nc1nccs1 33570384 CPXBHKAPPSWFPI-GZTJUZNOSA-N 498.567 4.475 10 10 JICE COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 1084320926 YJMZWIZERUYUFG-SDQBBNPISA-N 470.106 4.431 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H](C)C(=O)NC 1705681928 KZGOSQIZLARVFJ-HNNXBMFYSA-N 485.430 4.080 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(C)cccc4C)c4ccccn34)CC2)cc1 1858226711 LPLZIRGWNOFISX-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)nc2)cc1C 1858435473 LBMFTNCYCHDMCU-UHFFFAOYSA-N 496.633 4.233 10 10 JICE COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866240587 RTBCEXZTEPBXHN-AWEZNQCLSA-N 477.542 4.145 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868688210 LVTHZBUMAKZMRL-AREMUKBSSA-N 477.649 4.439 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cn(Cc4ccccn4)c(=O)c4ccccc34)cccc21 1874017409 PPOXOBGSXAXNPZ-UHFFFAOYSA-N 485.499 4.473 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079873031 JJISITDKGUTSTM-AWEZNQCLSA-N 465.282 4.234 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2296711236 FMPMESLLBFQOQW-UHFFFAOYSA-N 465.600 4.270 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 2313560258 OCMAYCLIXJDRGS-UHFFFAOYSA-N 471.513 4.198 10 10 JICE CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccccc3Br)C2=O)cc1 986078 KTQHZFIUAIQNEG-CJLVFECKSA-N 489.373 4.490 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 13644911 QPROIBKTPDKKGT-KUQPJALBSA-N 453.608 4.036 10 10 JICE COc1ccc(OC)c(NCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 59382321 IBLYPOYHVQBHBV-VXLYETTFSA-N 476.576 4.000 10 10 JICE CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)sc(C)c1C 95926008 AEZSPZNSHQYYSY-UVTDQMKNSA-N 464.590 4.365 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 96450481 NYBVIXPRHNPKJS-WEQSZXBMSA-N 498.586 4.101 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210723304 DSEFWXKTJBLUSN-SFQUDFHCSA-N 472.504 4.123 10 10 JICE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(N)cc(F)c1O 687747560 FZBIUMFODNVJGN-VWLOTQADSA-N 450.466 4.342 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)CC2)cc1 1535590477 UUEBNXYBAWBUGO-UHFFFAOYSA-N 451.567 4.345 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865033421 ZDUMRMKOPRFISJ-OAQYLSRUSA-N 494.979 4.206 10 10 JICE CCCc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976810 QQIAWPGUNYFYSU-UHFFFAOYSA-N 472.637 4.091 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869316838 WKLQNCYDLAJFPZ-SFTDATJTSA-N 489.620 4.101 10 10 JICE CCN(CC)CCCCN1C(=O)C(NC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167231 XIFRKGOPBLBEIB-UHFFFAOYSA-N 450.627 4.294 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873167409 GBZUPMYPXXFTLY-VWLOTQADSA-N 492.664 4.065 10 10 JICE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C 1874188645 WHYBJNAXLPOWDL-UHFFFAOYSA-N 491.573 4.254 10 10 JICE COc1ccc(Br)c(CN=c2[nH]c(CN(C)C(=O)OC(C)(C)C)cs2)c1O 2236054355 HNLDVQNZYSJUFX-UHFFFAOYSA-N 458.378 4.021 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 2294199389 ZIHDZJZWIHXNGV-UHFFFAOYSA-N 451.435 4.134 10 10 JICE Cc1ccc(Sc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1 2297345614 MFVIHQZEPLHOIH-UHFFFAOYSA-N 474.589 4.139 10 10 JICE CCCOC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314761070 OVFCFMDVJOIIJW-UHFFFAOYSA-N 466.584 4.148 10 10 JICE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@@H]21 2369080063 ALRDBRBFPVVSLF-CWRNSKLLSA-N 461.784 4.065 10 10 JICE CCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 35125748 YNJPXKDSNGATJZ-XSFVSMFZSA-N 476.627 4.177 10 10 JICE O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933403 ABDUMCVDWLFUMA-ONEGZZNKSA-N 470.904 4.234 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 210713303 WGZZEROQSLPPLF-CPNJWEJPSA-N 472.588 4.338 10 10 JICE CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(C(F)(F)F)cc3)C[C@H]2C(=O)NC)cc1 299794747 JODJSUSSJJYHEW-GMAHTHKFSA-N 462.560 4.030 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1 746218651 HJPRLLYEHIUBSK-GOSISDBHSA-N 464.532 4.239 10 10 JICE CCc1sc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nc1-c1ccc(OC)cc1 1858034196 DXPCNZGGSRJJMU-UHFFFAOYSA-N 457.577 4.091 10 10 JICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3cc(Cl)ccc3F)c3ccccc32)SC1=S 1860827225 VHBNCPCXOPDBNA-ZCXUNETKSA-N 476.938 4.072 10 10 JICE CC[C@](C)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867667153 CDIURNBMYIGSID-UHSQPCAPSA-N 489.664 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871484681 SGKRLZGATRCYIV-UHFFFAOYSA-N 495.631 4.023 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3)CC2)cc1 1872883979 FZRDOXDJTZTSHV-UHFFFAOYSA-N 458.562 4.228 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(OC)c(OC)c4)cc3)CC2)cc1 1872884462 SYMDFPUGPMBHDI-UHFFFAOYSA-N 461.562 4.287 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164382 ZBOYFYDCUQEPIX-UHFFFAOYSA-N 497.643 4.235 10 10 JICE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080055636 IFEPJACKUUISQU-AWEZNQCLSA-N 477.293 4.482 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 2294208492 JRQQXNZUKHTACS-UHFFFAOYSA-N 451.935 4.279 10 10 JICE Cc1cc(N2CCOCC2)ccc1C=C1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 2294280010 QHFCDOSAYGBPQL-UHFFFAOYSA-N 471.966 4.160 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540660 AUSRMEGOSQLIGK-HUUCEWRRSA-N 456.637 4.096 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296553760 VHUTXUQEMHOWDO-UHFFFAOYSA-N 499.523 4.207 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 2297549627 RWJWLGVCNJVKOU-UHFFFAOYSA-N 472.541 4.278 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 2297560364 DNTVTCKEYMSTJT-UHFFFAOYSA-N 475.364 4.078 10 10 JICE Cc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1 2297632329 FFOCIMXVVJNCPM-UHFFFAOYSA-N 486.669 4.328 10 10 JICE CCCC[C@@H](NC(=O)C=Cc1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330592136 BBHOETXPDSDOHN-AREMUKBSSA-N 479.621 4.131 10 10 JICE O=C(O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1 16906435 YGVPPNSSFPMEPS-OQLLNIDSSA-N 450.335 4.318 10 10 JICE CC(C)Nc1nc(NC(C)C)n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2n1 27300261 OJQUBSCHVAEQCY-UHFFFAOYSA-N 454.387 4.442 10 10 JICE Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 33451849 QETGAICUGFLGRF-SFQUDFHCSA-N 497.623 4.220 10 10 JICE O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33803856 CWOXQVNGUXXFJR-RGEXLXHISA-N 480.590 4.225 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]23)cc1 105493133 UGTUXGGAZIUKFL-RJGXRXQPSA-N 457.526 4.208 10 10 JICE CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084116871 MQMRJPXSNOHXFF-KAMYIIQDSA-N 476.371 4.266 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)C1 1540938176 VWUCXNZCJYTONH-FIPFOOKPSA-N 492.668 4.064 10 10 JICE COc1ccc(N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc1 1858420888 QBVHEJYPZICIIA-UHFFFAOYSA-N 452.942 4.088 10 10 JICE CC[C@](C)(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862199452 NBVMLWUMOZZOLF-DEOSSOPVSA-N 494.419 4.015 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864020943 ITDXUKGNNOEOPV-QHCPKHFHSA-N 484.556 4.220 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033060 QWACNHIUSDQOBM-GAJHUEQPSA-N 488.588 4.107 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868704370 HSSBOORMSQSVOT-CYFREDJKSA-N 472.029 4.332 10 10 JICE COCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870626807 NMASLPGZEQQMRZ-UHFFFAOYSA-N 491.632 4.103 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3)CC2)cc1 1872884123 MBFQWOUOIOBLAG-UHFFFAOYSA-N 489.616 4.007 10 10 JICE COC(=O)c1ccc(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166825 ISIFSVFZRUCJEL-UHFFFAOYSA-N 485.584 4.406 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419431 FDRAOBFCBYXOKV-DEOSSOPVSA-N 471.557 4.474 10 10 JICE CCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422941 XJNQVEDQXWXWPB-UHFFFAOYSA-N 470.573 4.143 10 10 JICE O=C(OCc1ccccc1)N1CCC(F)(CNCc2cccc(Br)c2O)CC1 2042862518 VXBWMTVJXPFZKZ-UHFFFAOYSA-N 451.336 4.385 10 10 JICE CN1CCc2cc([C@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2106852830 KEFNSPNBEQDTQI-DEOSSOPVSA-N 450.627 4.238 10 10 JICE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2293769016 KBCKASLYTVBHMV-UHFFFAOYSA-N 484.296 4.311 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296557187 WZIYZGZNBWDHBF-UHFFFAOYSA-N 491.544 4.027 10 10 JICE CCCCN1C(=O)C(=Cc2c(N(C)C3CCCCC3)nc3ccccn3c2=O)SC1=S 2296701666 XLRRDYVETGLAAN-UHFFFAOYSA-N 456.637 4.465 10 10 JICE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O)C(=O)O 2314930631 GXQNMTSNRHDVLL-JTQLQIEISA-N 497.381 4.392 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC)C(=O)O 2314931081 BVLRDFNDSSOZMF-MRXNPFEDSA-N 489.571 4.360 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O)C(=O)O 2314931113 CJDUXCFHLCDOBD-SFHVURJKSA-N 457.573 4.381 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 20356305 CDNUCBFOKOFXAJ-ADKREUBMSA-N 475.574 4.255 10 10 JICE CCCCN(C)c1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33458791 YNPQDVBUJHGFBM-RCCKNPSSSA-N 480.659 4.246 10 10 JICE CN(C)c1ccc(CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 33730819 FAEIQLUCJDXPLU-YUKPMKIRSA-N 454.636 4.279 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(OC)c4)cc3)C(=N)N12 96459447 PDRIJLZPMFVOMX-HRGNJQJKSA-N 482.587 4.483 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccccc3OCC(=O)NC3CCCCC3)C2=O)cc1 96577183 ADKWKVWOFMQYCQ-ULJHMMPZSA-N 489.572 4.497 10 10 JICE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)ccc1Cl 170548747 YIECDEYQSDDQFJ-UHFFFAOYSA-N 494.982 4.005 10 10 JICE COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1OC 1616152454 HXMWNBSMNSZWFP-FTBPSBKWSA-N 489.664 4.138 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)sc(C)c1-c1ccc(C)cc1 1860748679 HKJAKPDBMXCCIU-UHFFFAOYSA-N 451.548 4.462 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(O)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762974 YCPYFAZKSQUHTR-UHFFFAOYSA-N 482.558 4.259 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017997 AFDZKWNBGDJJNU-OAQYLSRUSA-N 496.995 4.025 10 10 JICE CC[C@H](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838776 LWJDOHSYAIUWJG-OWJWWREXSA-N 496.519 4.120 10 10 JICE CCC[C@@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385488 FTYKYUZVUORITI-CLJLJLNGSA-N 480.653 4.003 10 10 JICE CC[C@@](C)(NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868747096 FLIKXPVXPPIIBM-FRFCEVEYSA-N 470.013 4.386 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2053497502 MLOBZDQVNFGMEL-UHFFFAOYSA-N 476.627 4.332 10 10 JICE COc1ccc([C@@H](n2nc(C(C)(C)C)c(N)c2I)C2(C)CC2)c(O)c1 2079856768 WFFASDVYKCRKSY-MRXNPFEDSA-N 455.340 4.471 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540792 UOFNITKUDZEPCR-HZPDHXFCSA-N 456.637 4.034 10 10 JICE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314414404 XZOOUMJAVRSLLD-UHFFFAOYSA-N 474.652 4.233 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1167911 SUKOVVJQQVOGPI-GZTJUZNOSA-N 454.236 4.079 10 10 JICE CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S 6178398 NOVPYEXGBJUOEC-MHWRWJLKSA-N 462.325 4.014 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15040089 IAUCZQGLCHVXSB-UNOMPAQXSA-N 458.561 4.117 10 10 JICE CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(CC(=O)O)cc2)C1=O)=C\c1ccccc1 16922512 VKKRRDNGCNIDLZ-DDQZDWCKSA-N 452.557 4.100 10 10 JICE COc1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1OC 23237534 DMTHNWABZQOPPU-NRFANRHFSA-N 481.618 4.497 10 10 JICE COc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cccc(OC)c3O)C2)cc1OC 65298238 KAMMXNQOUZOJNM-OAQYLSRUSA-N 453.583 4.142 10 10 JICE biogenic CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)ccc21 1462873830 RFXFCBLSDNRQKH-UHFFFAOYSA-N 455.624 4.140 10 10 JICE CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c2ccccc21 1469105721 UMSOUXZEDFMDTO-UTKZUKDTSA-N 458.509 4.054 10 10 JICE CCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@@H]34)cc12 1614472998 ZJECBEHNJWVTRZ-QPPBQGQZSA-N 456.627 4.472 10 10 JICE CC(C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848227 GRGWPXJCWOASCZ-HNNXBMFYSA-N 473.485 4.220 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@](C)(CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267029 VUADSALDNRPRIT-GDLZYMKVSA-N 482.536 4.407 10 10 JICE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421123 IEAUWLLRHKDRJN-UHFFFAOYSA-N 484.600 4.440 10 10 JICE COc1ccc([C@@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(O)c1 2140779239 TYSFBOQLJJJJHN-MRXNPFEDSA-N 467.607 4.250 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296715405 ZKWVRPLNDMPCOC-ZOBUZTSGSA-N 470.664 4.485 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2296846522 TZMXUALAGJGKRM-UHFFFAOYSA-N 488.679 4.257 10 10 JICE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 2313549495 XROYCMFOUYXECN-UHFFFAOYSA-N 478.888 4.091 10 10 JICE COc1ccc(CNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 2313683339 XSXGKVNDNFJXIH-UHFFFAOYSA-N 472.501 4.427 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 2314509175 SVENJGAVLLAKSX-UHFFFAOYSA-N 481.599 4.341 10 10 JICE CCOc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 2314836976 MMUYXTBKOFUDIY-ZDUSSCGKSA-N 458.561 4.028 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)CC1 2323858256 YTONRHCDGWOPHT-UHFFFAOYSA-N 473.389 4.410 10 10 JICE O=C(/C=C\c1cc(Cl)c2c(c1)OCO2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980289 JKGGHSIWJUDHOR-RJRFIUFISA-N 468.859 4.254 10 10 JICE Oc1ccccc1CNc1cc(I)cc(I)c1 690429975 QZBZYXGHLCHVNX-UHFFFAOYSA-N 451.045 4.214 10 10 JICE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC1=S 1084611007 ZFOIDOCXEJERGJ-CPNJWEJPSA-N 458.540 4.071 10 10 JICE CC(C)C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466296 NQXAYFOQKISBPQ-JOCHJYFZSA-N 466.493 4.111 10 10 JICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021911 HWUKQFUCUXFWEQ-QGZVFWFLSA-N 492.498 4.034 10 10 JICE CCCCc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)CC2=O)cc1 1865921504 KMPWMSYCGUBCAQ-GJZUVCINSA-N 473.621 4.087 10 10 JICE CCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571563 TWLCQLAMZTYWDC-UHFFFAOYSA-N 484.604 4.025 10 10 JICE CN[C@H](c1ccc2c(c1)CCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106853508 RQXAEKHVDZUFOU-SQHAQQRYSA-N 450.627 4.109 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1)C(=O)O 2314929439 MPZBXLVNKDJYIY-GOSISDBHSA-N 456.545 4.293 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c(=O)n1CC 33475947 AJMJNHJFBMJQBO-CPNJWEJPSA-N 458.653 4.428 10 10 JICE COc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2cccc(OC)c2O)CC3)c1 34755826 OHQJPFLRERXURZ-UHFFFAOYSA-N 462.550 4.150 10 10 JICE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OC)c(OC)c1 586229499 VZMOVFMETKQDKV-UHFFFAOYSA-N 465.527 4.085 10 10 JICE O=C1/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088669597 YYJXOFVJQWKKJS-KQDRGBMMSA-N 475.457 4.113 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOc1ncccc1F 1705575068 WYRBZMCHUPSYSP-UHFFFAOYSA-N 468.536 4.039 10 10 JICE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705745782 NQLFHQWJXBJSCE-NRFANRHFSA-N 467.017 4.410 10 10 JICE CCCC[C@H](NC(=O)Cc1ccc(OCCC)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861900104 IMTPBTKZPPMLAD-SANMLTNESA-N 495.664 4.359 10 10 JICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012763 IVCCIJMPAWZGGT-OAQYLSRUSA-N 496.995 4.168 10 10 JICE CCC[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868853659 SZXWMYLHBBLRCH-DQEYMECFSA-N 469.601 4.208 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873166089 BPWALHXWWSIJOO-VWLOTQADSA-N 485.584 4.022 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2080001378 IAPKUPVHOFYPPF-KRWDZBQOSA-N 456.324 4.207 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)c(C)c1 2294199370 XUESJTCSIIZZDO-UHFFFAOYSA-N 464.474 4.012 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 2314486689 LFRSXCRFESBYOF-UHFFFAOYSA-N 468.478 4.220 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 33373237 NFAZCRFYOZIGCX-VCHYOVAHSA-N 478.979 4.293 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33445629 XESUSZXYEOBVDH-HMMYKYKNSA-N 476.627 4.047 10 10 JICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1 33498107 YILALMHIAAYXNG-SGRLSNSRSA-N 450.585 4.292 10 10 JICE COc1cc(/C=C\C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC 35351778 NZSURHRVEXHEGO-YVMONPNESA-N 463.534 4.058 10 10 JICE Cc1ccccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(N(C)C)cc1 39919762 AVPURRFAFRMPBE-XMMPIXPASA-N 464.953 4.391 10 10 JICE Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c(C)n1-c1ccc2c(c1)OCCO2 59850520 SCFHGKASJNMYAT-UHFFFAOYSA-N 453.926 4.473 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3F)nc12 213190024 POQJNSVDPVLNJW-VUFYJBQKSA-N 497.573 4.315 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226634758 BTWXQYVUVRCUKH-IEGUWTFLSA-N 458.580 4.227 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011796 YJQPBUIHIUFSDS-QHCPKHFHSA-N 490.604 4.401 10 10 JICE CCC[C@@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235199 LXKUNZPYJGRELR-BXKMTCNYSA-N 494.547 4.446 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1 1867958280 RKICMKVWMVMQFQ-UHFFFAOYSA-N 486.664 4.318 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987128 IIYOTGPYFGEUAN-DEOSSOPVSA-N 491.611 4.359 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc32)n1 1869232752 UNDYMBAGHAUWEC-UHFFFAOYSA-N 489.620 4.476 10 10 JICE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422200 KYTQRGPQOWLZCR-UHFFFAOYSA-N 455.514 4.235 10 10 JICE O=C(O)COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 16909613 WXUFLNSXEOUCIW-VIZOYTHASA-N 483.354 4.003 10 10 JICE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCCC3)SC2=S)cc1 33382812 AYWULWDBSVRYKF-FYJGNVAPSA-N 478.643 4.266 10 10 JICE CC(=O)N[C@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(C)cc4C)n3)cc21 170549525 UVYOAEJRZUQKOO-SFHVURJKSA-N 457.577 4.187 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526279662 SBYQDZGXJVXGPU-HSZRJFAPSA-N 491.496 4.349 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526560593 HUFBXVXLVFVMHS-JOCHJYFZSA-N 455.413 4.450 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCS(C)(=O)=O 1705711741 RXWPUICGNAHSAA-UHFFFAOYSA-N 455.628 4.190 10 10 JICE COc1ccc(N2CCN(c3nc(C)c(-c4cccc(Br)c4)c(O)n3)CC2)cc1 1858504918 FKZMEEYLXGMEEJ-UHFFFAOYSA-N 455.356 4.255 10 10 JICE COc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347493 RQZMVSRTLNDKMZ-HHHXNRCGSA-N 466.541 4.436 10 10 JICE CCCCNC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1860763725 OCDRVQXGUQERSI-UHFFFAOYSA-N 467.385 4.381 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865027243 WSOFEKHLNMOJEG-QHCPKHFHSA-N 491.592 4.110 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028703 YFHLKIXBPLIXPH-XMMPIXPASA-N 488.588 4.386 10 10 JICE CCCC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867128900 KFIWZARMFYSBSK-HXUWFJFHSA-N 497.507 4.236 10 10 JICE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857060 PAWJVVZTXZHWRO-UIOOFZCWSA-N 481.637 4.077 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1 1868903619 OIKUSKLGRKUFPE-KWXIBIRDSA-N 469.585 4.005 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970333 JAFSCDBLJJQYQV-UHFFFAOYSA-N 499.015 4.039 10 10 JICE CCCNC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135300 ZJDZEJWSBVKULD-RUZDIDTESA-N 490.604 4.288 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5cc(OC)ccc5OC)[nH]c4c3)CC2)cc1 1872798281 SCEVGAZWWQLHHM-UHFFFAOYSA-N 486.572 4.142 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162422 UTKOBLJYWXJXRX-UHFFFAOYSA-N 497.574 4.111 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2079024220 AABIYXCQEOAYDJ-QGZVFWFLSA-N 451.352 4.401 10 10 JICE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@H]2OCC[C@@H]21 2146638971 QCOJBCYZRBXNMV-CWRNSKLLSA-N 461.784 4.065 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 2297346135 GQCXBIPHPGOXMG-UHFFFAOYSA-N 483.358 4.265 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314413711 FQJJYNDKMMTSQH-UHFFFAOYSA-N 466.588 4.352 10 10 JICE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2314736735 ULDFUATVLSBFPV-UHFFFAOYSA-N 457.573 4.347 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccco4)n(-c4ccc(C)cc4)n3)CC2)cc1 2331393089 OHHUQWSIIAMQBH-UHFFFAOYSA-N 484.560 4.156 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15047156 DAHMDFOEGLMMBI-SJWFJVLYSA-N 490.990 4.451 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 33373221 KUNUQSPWFQWDJO-PNLNHYMSSA-N 466.628 4.245 10 10 JICE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1 251026715 WNNRKLXFSYZPRU-XLGIIRLISA-N 451.636 4.374 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3nnc(-c4ccccc4)cc3C(F)(F)F)cc2)CC1 1458363975 OIRVENITDDKATD-UHFFFAOYSA-N 455.484 4.443 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 1860761148 NXUDHQJBQMVVQQ-UHFFFAOYSA-N 496.585 4.133 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018588 OKZOJQKLNVHPMZ-SPLOXXLWSA-N 496.995 4.168 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)N2CCCCC2)cc1 1866554903 IFPHGILUMNIQSP-HHHXNRCGSA-N 487.648 4.151 10 10 JICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)CC1 1867986764 QRTBGVIVCSOMRC-UHFFFAOYSA-N 490.627 4.150 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868003271 DATCXAZBLWGWGE-SFTDATJTSA-N 458.610 4.356 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165056 AAWUGWIAZGHUAR-UHFFFAOYSA-N 462.638 4.438 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1892086637 MOKBQQUWYCXAIS-IHPCNDPISA-N 494.082 4.250 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079845850 VTBVSUWGZGPUGI-KRWDZBQOSA-N 469.367 4.348 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079978461 AUPUHWCCNUSGJK-QGZVFWFLSA-N 465.335 4.176 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Br)c3)C2=O)cc1Cl 2297362221 BCDFGPXOOWLOFN-UHFFFAOYSA-N 470.106 4.436 10 10 JICE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(F)cc4)C3=O)o2)ccc1Cl 2297505945 DKWXEEDNIMJWGT-UHFFFAOYSA-N 454.841 4.377 10 10 JICE CCN(C)c1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1 2313547883 FPWDBLUBJAJPBB-UHFFFAOYSA-N 456.340 4.188 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 2314933724 CSORXQCEMSHNGH-UHFFFAOYSA-N 478.498 4.216 10 10 JICE Nc1ccc(CCC[S@](=O)c2cc(I)ccc2Br)cc1 2363647230 DTLDECJDKXXXSA-FQEVSTJZSA-N 464.166 4.376 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1837130 XRQGNYKLUFQTBA-QZQOTICOSA-N 465.600 4.352 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33351572 DAHMFJDCPUTZAC-WOJGMQOQSA-N 468.579 4.303 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526630778 OMECCTKHYFGZSZ-HSZRJFAPSA-N 479.485 4.189 10 10 JICE O=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586692980 QRFKOSAQTMETGY-LJQANCHMSA-N 469.497 4.015 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 1084258867 SXRAFAGUXQZLML-NDENLUEZSA-N 464.424 4.219 10 10 JICE COc1ccc(N2CCN(Cn3nc4n(CCC(C)C)c(=O)c5ccccc5n4c3=S)CC2)cc1 1086840840 AWLQTLFEAYOHEZ-UHFFFAOYSA-N 492.649 4.015 10 10 JICE COc1ccc([C@H](CN2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)N(C)C)cc1 1858594307 UALHDARHJCSPOO-ACRNLXFHSA-N 458.605 4.217 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1858606890 BCJOFAGICIZTIL-UHFFFAOYSA-N 475.309 4.279 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029846 WLZKEWLOPKQTPE-SBUREZEXSA-N 488.588 4.332 10 10 JICE Cc1cc(C)c2c(c1)c(=O)c(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)cn2C 1866220158 ZABQASDDAUYQBK-RUZDIDTESA-N 460.622 4.178 10 10 JICE CC[C@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868839345 YTPUVTWRXBOJEJ-PKTZIBPZSA-N 458.002 4.086 10 10 JICE COc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc(O)c1O 1951592709 PUVVNAORXYMCEN-INIZCTEOSA-N 463.486 4.203 10 10 JICE O=C(N[C@@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952089983 LVLYXCVCNDUEAX-NRFANRHFSA-N 475.497 4.217 10 10 JICE O=C(N[C@@H]1C(F)(F)C12CC(NCc1c(O)cccc1Br)C2)OCc1ccccc1 2142147869 ACCNLFUIUNZBIS-JMARDNNUSA-N 467.310 4.337 10 10 JICE COc1cc(C=C2C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc(OC)c1OC 2293245271 RIALLDQDOLUYMG-UHFFFAOYSA-N 468.560 4.222 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Br 2296881661 UXWWVCLTSVZWNI-UHFFFAOYSA-N 491.388 4.408 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 2297325186 FNOISRIOYUNBHL-UHFFFAOYSA-N 465.600 4.448 10 10 JICE Cc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2Br)cc1 2297331433 FSHCVHWDTBSCFB-UHFFFAOYSA-N 470.391 4.014 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2314836650 HZFIAJDBBRLFSG-UHFFFAOYSA-N 455.001 4.083 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641937 VBZMUSLGHQWUMJ-AJGMTHFWSA-N 464.562 4.448 10 10 JICE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@H]3c2cccc(O)c2O)cc1 15858979 KGLNPJNQOABARV-MHZLTWQESA-N 495.535 4.205 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33780907 PLDQDSCIBPWQNM-RGEXLXHISA-N 486.663 4.375 10 10 JICE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39989749 OSAQVDPBGUCIMF-MLLDNRILSA-N 458.653 4.140 10 10 JICE Cc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)s1 211941029 FIRIOPWIDYCOKH-MSUUIHNZSA-N 452.586 4.347 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1465951615 PFCNZVRJPMHIRU-FYYLOGMGSA-N 453.970 4.090 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@@H]3CN(C(=O)c4ccc(C)cc4)c4ccccc43)CC2)cc1 1858130681 QOGCQLWBTWSYQO-HSZRJFAPSA-N 469.585 4.487 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)CC2)cc1 1858382414 KESLMEAZDZDVRF-RUZDIDTESA-N 469.585 4.173 10 10 JICE COC(=O)c1c(NC(=O)CC[C@@H]2CCC(=O)N2)sc(C)c1-c1ccc(Br)cc1 1866204199 UNGGGUAPIDYPFU-AWEZNQCLSA-N 465.369 4.270 10 10 JICE C[C@@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1868159160 JBUUQKLESBWSPD-HNNXBMFYSA-N 460.917 4.364 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871591809 YYUATRPBKLVCMQ-UHFFFAOYSA-N 495.631 4.023 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC(C)C)cc3)C2=O)cc1 1872956861 RGMLBPWZXCAOAS-UHFFFAOYSA-N 458.514 4.431 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)cc(F)c2O)C(F)(F)CC1 1966027927 KWJCITKPIQUQIM-CQSZACIVSA-N 453.299 4.418 10 10 JICE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@H]2OCC[C@H]21 2146638973 QCOJBCYZRBXNMV-NUEKZKHPSA-N 461.784 4.065 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C)cc(I)c1O 2296909435 VDLVSCYSOXYKDL-UHFFFAOYSA-N 468.678 4.465 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 2297298456 HXJDVGQCYISXLB-UHFFFAOYSA-N 473.554 4.102 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 2297311823 GVFRCDUVZZBMSH-UHFFFAOYSA-N 457.964 4.013 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)C(C)=O 2314926840 UALSCWNRNMBTNT-RBUKOAKNSA-N 469.584 4.330 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 2323886489 CDMNFSACDWYTDB-IBGZPJMESA-N 452.601 4.496 10 10 JICE N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)N(c2ccc3c(c2)OCO3)C(=O)N=C1O 1097109 JWRXQTXGAMFODQ-JAIQZWGSSA-N 467.437 4.373 10 10 JICE CCn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 18402869 ZFVNUTDNTQYMLQ-INIZCTEOSA-N 484.691 4.419 10 10 JICE CCCCN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 33914018 DVXNOHDNNSIFOT-CMTMBAJVSA-N 481.437 4.346 10 10 JICE CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OCCC(=O)O)c(OC)c2)SC1=S 210444908 OVRQJOZLEOGWCS-UYRXBGFRSA-N 459.545 4.353 10 10 JICE CSCC[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746424250 HBSNKQSZYODWTD-TZRRMPRUSA-N 481.662 4.050 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(CC)cc1)=C(N)O2 1864014414 UPVVBKAQIQAUOM-HJPURHCSSA-N 490.604 4.401 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029250 JGODCHPPGZLPOW-NRFANRHFSA-N 496.995 4.452 10 10 JICE CC[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896569 MKEXHCCDVKQFFZ-FTJBHMTQSA-N 464.654 4.221 10 10 JICE CCCCCOC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824471 AYOUJLCFSBPBQY-UHFFFAOYSA-N 496.633 4.359 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873167547 MADDABAEUDVQBP-UHFFFAOYSA-N 494.680 4.311 10 10 JICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2040499475 ZGSHKWQLBLCJLV-AEFFLSMTSA-N 494.642 4.148 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2180961424 GBCZVQZKSJDHHR-OAQYLSRUSA-N 470.618 4.485 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OC(=O)c1ccccc1 2297332394 QUOAVFDFMFBRDI-UHFFFAOYSA-N 497.335 4.008 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=Cc2ccc(OC)cc2OC)cc1 2297348242 XOLOONODNQXEJC-UHFFFAOYSA-N 459.458 4.455 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 2313548905 IOFKHIYHVJMTQT-UHFFFAOYSA-N 461.430 4.147 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1 2313556208 QZSNLCNYWUUOGS-UHFFFAOYSA-N 480.318 4.223 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2314504457 RGUCSCGSOXJFLN-SFHVURJKSA-N 493.610 4.429 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 15044795 PWMGGVBSVPAVAW-PEZBUJJGSA-N 454.639 4.271 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15049014 RFGBZYAFVZSBCR-MFVBVHDHSA-N 461.406 4.355 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)cc3)C(=N)N12 20205582 URWNHJGVQKDVSA-FBIWUZAXSA-N 482.587 4.483 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33383243 NDHGMDHSANDEMQ-IXKBBHMXSA-N 470.664 4.485 10 10 JICE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3csc4c3CCCC4)C2=O)cc1OC 39989022 YRWAVVYUWOEQQY-ZDLGFXPLSA-N 460.602 4.190 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Cl)cc4C)c3[N+](=O)[O-])CC2)cc1 40590392 UKDKXDSZWCXSSE-UHFFFAOYSA-N 454.918 4.425 10 10 JICE COc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C2=O)c1 103657407 VTXQMOQXJXFDLU-JLPGSUDCSA-N 481.508 4.395 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2)sc(C)c1-c1ccc(OCC)cc1 1860747902 AXPHLAFEIAMPCA-UHFFFAOYSA-N 453.520 4.271 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762265 AFPIOCBXYVUTNH-UHFFFAOYSA-N 496.585 4.302 10 10 JICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015785 VDFOCAZWUULTKB-OAQYLSRUSA-N 476.577 4.084 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019909 RGCJAGBEGISCDY-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032443 CJPBLYVNWXQSOW-QHCPKHFHSA-N 490.604 4.498 10 10 JICE CCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871525878 WGVDFAQQXZESAI-UHFFFAOYSA-N 461.614 4.201 10 10 JICE CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179241 VCAGWMAFDCRYAG-DEOSSOPVSA-N 465.509 4.336 10 10 JICE CCn1c(C=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 2053504812 KDJKDSKWTVLVRH-UHFFFAOYSA-N 468.457 4.494 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)C(C)(C)N(C)C(=O)OC(C)(C)C 2074371532 PRNQDRXMVOSGRV-IBGZPJMESA-N 450.624 4.120 10 10 JICE CN(C[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106776803 LUFSUCAWZBIZAU-CTNGQTDRSA-N 463.619 4.156 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCCOc1ccc(Cl)cc1 2296926385 JXNOQZDGMBNPCB-UHFFFAOYSA-N 467.884 4.416 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1OC 2297709388 JAUHUWKCGMDQHW-UHFFFAOYSA-N 480.546 4.191 10 10 JICE Cc1ccc(CN=c2[nH]c(C3(NC(=O)OC(C)(C)C)CC3)cs2)c(O)c1Br 2381137134 FHKCPJQASMAPNN-UHFFFAOYSA-N 454.390 4.467 10 10 JICE COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1 3650183 BDFKYVUUIIPPAL-IZZDOVSWSA-N 480.572 4.320 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)cc1 6508393 GWMHSLJKXVGTKP-UYRXBGFRSA-N 493.497 4.093 10 10 JICE COc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 8597226 ZDCBTAPCZRZARL-UHFFFAOYSA-N 467.591 4.249 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(SCc4cccnc4)c([N+](=O)[O-])c3)CC2)cc1 20663539 IJCIBNXVEHYLPZ-UHFFFAOYSA-N 464.547 4.253 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCC2)SC1=S 39989640 UKEYUUUDVZETAQ-RGEXLXHISA-N 458.653 4.430 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526543475 VDNAHOTWARTZPS-QFIPXVFZSA-N 455.413 4.450 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864009450 HRKBHKCYEVTYGM-AVRDEDQJSA-N 470.614 4.428 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864017038 CXDSVKGWAYLAOX-XCLFUZPHSA-N 482.968 4.109 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873164731 PLUUNKYOIPMKNJ-UHFFFAOYSA-N 474.580 4.055 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873165317 HNOYOFVDLFVNDI-UHFFFAOYSA-N 474.580 4.055 10 10 JICE CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017323 OBOBLKGTZISIRM-IBGZPJMESA-N 494.544 4.026 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)CC1 2040470174 JOKRYEUUDUMLGN-UHFFFAOYSA-N 468.648 4.465 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080000738 YTSZXTWJEICPBZ-INIZCTEOSA-N 471.339 4.060 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 2294400611 UMFVNLPMVNKENI-UHFFFAOYSA-N 479.330 4.498 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296712219 KQCTZVXJSYNMET-UHFFFAOYSA-N 465.600 4.352 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 2313548673 BRQFNUSNNJGPOE-UHFFFAOYSA-N 467.821 4.183 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1O 2314764820 NCHNZVPTJKWQDX-UHFFFAOYSA-N 499.795 4.363 10 10 JICE COCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33431951 CZOXFUOYXSLYCI-NVDTWQGNSA-N 455.557 4.162 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33749318 BBTVPHMXRHXXOW-KGENOOAVSA-N 497.532 4.163 10 10 JICE CN(C)c1ccc(CNC(=O)c2ccn3c(-c4ccccc4Br)nnc3c2)cc1 65296636 CMOLTGNPPYMCJT-UHFFFAOYSA-N 450.340 4.155 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104864175 LMLVQVOIYWXYFS-FKBYEOEOSA-N 489.886 4.483 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S 208270113 BJFNGKXEMYGFDG-WOJGMQOQSA-N 456.593 4.162 10 10 JICE COc1ccc(N2CCN(Cn3nc(-c4ccc(F)cc4)n(C[C@H]4CCCO4)c3=S)CC2)cc1 1086840845 GDFRMHKXXYVOAR-HSZRJFAPSA-N 483.613 4.187 10 10 JICE CC(C)C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1858074992 YZJNYDDFONYPTM-FTJBHMTQSA-N 490.648 4.107 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017486 NJSYPOBKNAQNNU-DEOSSOPVSA-N 496.567 4.165 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028731 ZCPPNYGRPXJPSS-QFIPXVFZSA-N 494.979 4.198 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865032420 CBHACANOVFSGGP-HSZRJFAPSA-N 488.588 4.252 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)cc(Br)c1O 1865666660 RBGNRZLDXJXRBK-WJDWOHSUSA-N 450.292 4.393 10 10 JICE CC[C@@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244203 WXRDCXKBBOPQGF-KSFYIVLOSA-N 480.520 4.056 10 10 JICE CC[C@H](C)NC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870957060 PPWSWUAGUWKOQS-FQEVSTJZSA-N 478.593 4.144 10 10 JICE O=C1C(=O)[C@@H](N[C@@H]2CCCC[C@H]2N2CCCCC2)[C@@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395921 RPXCZYQDQBXAET-YRXWBPOGSA-N 491.476 4.412 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)c1 2296660095 FOJXEZMSPJIDKB-UHFFFAOYSA-N 494.573 4.437 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314836184 BGPIFNDGDSZCCH-CQSZACIVSA-N 472.588 4.331 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15036167 ATBCGUGGCUOVJZ-YVLHZVERSA-N 493.404 4.393 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 15039154 XKSNPUSBVRZBTC-UYRXBGFRSA-N 472.588 4.338 10 10 JICE O=C(CN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 33314232 HFKPCYVMXSEZQK-WCWDXBQESA-N 499.617 4.486 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(OC)cc1 33424434 DOGCMGJTRSYSOU-QJOMJCCJSA-N 474.513 4.013 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 33448131 NUJSOZITDJHDCP-HAHDFKILSA-N 488.540 4.240 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCCCC3)nc12 33528802 YUFPYHNNEWYILO-NFBGKYEXSA-N 484.647 4.128 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(C)c(C)cc3C)c3ccco3)CC2)cc1 38619252 NTWUJVNVYBTWJT-XMMPIXPASA-N 483.634 4.055 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCC[C@H](C)C2)SC1=S 39989722 NYWIXSQSVBTZPT-CNJXFHOHSA-N 458.653 4.284 10 10 JICE COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 96577017 BJFHLEYMUNXUOM-UDWIEESQSA-N 454.573 4.385 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 211950733 ZYHIXVZDRRRTFD-FYJGNVAPSA-N 486.615 4.327 10 10 JICE O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 915864845 DHUPMPYTSUFOLI-XMMPIXPASA-N 455.518 4.262 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cccc(OC(F)(F)F)c1 1860721176 LCTCPKBSCCYXSU-UHFFFAOYSA-N 453.642 4.435 10 10 JICE CCCCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862134363 WCKHOJPDZJJGNT-NRFANRHFSA-N 467.610 4.121 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011975 OFLRCYNGZSSTNH-QFIPXVFZSA-N 496.995 4.161 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864020510 CWSWPIGAUOFWNU-NRFANRHFSA-N 468.598 4.046 10 10 JICE CC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868688645 HHBHEZLMELHVBT-SXOMAYOGSA-N 477.649 4.439 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cccc21 1874179771 ORBSFKDTABRHMN-QFIPXVFZSA-N 454.482 4.202 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2053511744 HLGSLIIJRJRFQB-UHFFFAOYSA-N 490.654 4.437 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2080041932 DISXFRPKUVRZHT-ZDUSSCGKSA-N 470.307 4.039 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)ccc(N)c2C1 2132358297 ZXVVLJDRKIJINQ-IERDGZPVSA-N 458.603 4.008 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1 2294623595 GBKGDBTZTPKXOO-UHFFFAOYSA-N 488.319 4.049 10 10 JICE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 2297345294 JNEYGMBPZSJNEN-UHFFFAOYSA-N 496.401 4.022 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297458170 FITSCFZAWGWSNR-UHFFFAOYSA-N 486.509 4.483 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2297576516 HVPBRTJGYYSNKB-UHFFFAOYSA-N 494.747 4.166 10 10 JICE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313681588 IOCWIMAGPMUNFU-UHFFFAOYSA-N 490.589 4.475 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1)C(=O)O 2314931851 RSOZSHCGWURGQB-SFHVURJKSA-N 456.545 4.293 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1cccc(Cl)c1 2332141454 WPEJQDAFNKBNJA-UHFFFAOYSA-N 453.760 4.368 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccc1O 33329815 OWGXOPXDUDSDEQ-LFIBNONCSA-N 463.378 4.385 10 10 JICE COC(=O)COc1ccc(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 33448030 FQJBTGXFXVXONG-XSFVSMFZSA-N 457.573 4.081 10 10 JICE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066582 VWAVAPIQGXKTKO-GRSHGNNSSA-N 452.605 4.035 10 10 JICE CC(=O)N1CCCc2cc(S(=O)(=O)N(CCc3c[nH]c4ccccc34)c3ccc(N)cc3)ccc21 1857991905 JTECTQQQHGXEFL-UHFFFAOYSA-N 488.613 4.487 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4ccccc4F)c3=O)cccc21 1861857744 QQRPJYUBVVADAA-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CCC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232556 UQNBKQNWZIIFQP-DEOSSOPVSA-N 488.028 4.141 10 10 JICE CC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838775 LWJDOHSYAIUWJG-MYYSRTQBSA-N 496.519 4.120 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(Cl)ccc(Cl)c3c2=O)c2nccn2C)cc1 1866449262 MXQDRVZBMIWUNW-IBGZPJMESA-N 470.360 4.154 10 10 JICE CN(CC1CN(C(=O)OCc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2044727886 DZYVYNJBVOIWDX-UHFFFAOYSA-N 480.609 4.267 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2314414371 XKPLAFBOUFFYDU-HNNXBMFYSA-N 450.589 4.397 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857552 OWWPRXJYTFJLPT-UHFFFAOYSA-N 469.588 4.153 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4n3-c3ccccc3)CC2)cc1 22132251 QMOOHNBGLTZQGU-UHFFFAOYSA-N 458.587 4.475 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)NCc1ccco1 33932895 MLSBWDZVAOUXAU-XKZIYDEJSA-N 482.496 4.053 10 10 JICE CN(C(=O)CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 210497362 TVADWWYQCCPQIN-SFQUDFHCSA-N 492.525 4.241 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526387317 BYWKIWDYZNYDRR-AREMUKBSSA-N 471.557 4.215 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758235 HKWAXSNBSLPMQM-OAHLLOKOSA-N 480.970 4.108 10 10 JICE CCCC[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862041384 IXPAEMNJWCJMMR-QFIPXVFZSA-N 488.426 4.095 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864014007 LFJSLSHKFGVZQC-QHCPKHFHSA-N 490.604 4.100 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864014432 VBSNTRMHHVMJCF-FQEVSTJZSA-N 456.587 4.048 10 10 JICE CCC[C@@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866564262 BDNFUZCSMZDJCQ-GOSISDBHSA-N 461.905 4.048 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 1874749611 ATKPOGVTOUYGFJ-UHFFFAOYSA-N 488.544 4.251 10 10 JICE COc1ccc(N2CCN(C(=O)C=Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 2040435962 ACDPBGFDEXCCGW-UHFFFAOYSA-N 465.557 4.305 10 10 JICE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 2297352854 GAUZPGXSYGWOSY-UHFFFAOYSA-N 475.574 4.125 10 10 JICE CCN1C(=O)C(=Cc2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C(=O)NC1=S 2313656614 LJSQRXAZKGCEPS-UHFFFAOYSA-N 460.397 4.120 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2314832004 XQFORFXZLSDPKL-UHFFFAOYSA-N 466.600 4.349 10 10 JICE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O)C(=O)O 2314930632 GXQNMTSNRHDVLL-SNVBAGLBSA-N 497.381 4.392 10 10 JICE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 2314933729 XFITWICYRHWGHW-UHFFFAOYSA-N 472.588 4.411 10 10 JICE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105281 PJDGDZDHRGLLMJ-UHFFFAOYSA-N 479.577 4.001 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CC=C[C@H]32)CC1 14473105 KRIWCRHDUFGXDZ-UQNRQAKVSA-N 452.942 4.462 10 10 JICE Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 15056231 QWZFIZNBWVNVTN-SXGWCWSVSA-N 463.378 4.264 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33460286 DCGHRDMORDGHOZ-MQYGTYEHSA-N 483.509 4.057 10 10 JICE Cc1nn(-c2ccc(Br)cc2)c(O)c1/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O 34222112 DNMLNOMZQMTCMA-BOPFTXTBSA-N 467.279 4.156 10 10 JICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990373 DEZHCZLIZKNQPD-CCNLRRDASA-N 458.653 4.428 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 59098829 RFGXZYFKVKPJTK-XPWALMASSA-N 469.468 4.138 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 105571445 MMLRLTXSFBZNPJ-AWZKZOKMSA-N 450.436 4.292 10 10 JICE COc1ccc(N2CCC(NC(=O)N[C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 110421268 QTFQLFXHDAVEGK-VWLOTQADSA-N 458.562 4.343 10 10 JICE CN(C)C(=O)Cc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917637493 HHUULVSWEHNLHO-QHCPKHFHSA-N 455.518 4.477 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(OCc4cccc(C)c4)c3)cc2)CC1 1466883257 ZFSMVGWFLBTXFF-UHFFFAOYSA-N 457.574 4.173 10 10 JICE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1705847223 JMETUSAGAWXVIU-FQEVSTJZSA-N 458.582 4.226 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCc1ccccc1 1860345286 ZYKMDZZVRQRHNX-UHFFFAOYSA-N 462.553 4.323 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864013318 VUIUJTGZCCOITR-HSZRJFAPSA-N 490.604 4.296 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864017841 WPAUCUUDGRZOJV-QHCPKHFHSA-N 488.588 4.298 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027916 NPRYAIOJSWFVMK-RUZDIDTESA-N 496.567 4.004 10 10 JICE CCC[C@@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385489 FTYKYUZVUORITI-FTJBHMTQSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(C(C)C)n3)CC2)cc1 1867951291 DWBGBGAANNPIIU-UHFFFAOYSA-N 486.664 4.257 10 10 JICE COc1ccc([C@@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C)n3)CCS2)cc1 1869298622 VUUHKCFYLOYVJK-VWLOTQADSA-N 491.661 4.423 10 10 JICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421238 NHRRLVHUIYTGDG-UHFFFAOYSA-N 472.589 4.246 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cc(O)cc1O 1952829033 HIHBCQAOYLEJTQ-NTKDMRAZSA-N 461.470 4.200 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079852854 BGAPCHFFSLOLFP-MRXNPFEDSA-N 457.356 4.204 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2080001971 PWQJHVSGKCEUGS-CQSZACIVSA-N 470.307 4.255 10 10 JICE CCN1CCc2cc([C@H](NC)[C@@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2106851058 PIDFUIBCBRGSOO-NOZRDPDXSA-N 452.643 4.355 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(OC)c([N+](=O)[O-])c1 2297310173 SRJZWIUGMCDJHJ-UHFFFAOYSA-N 473.279 4.243 10 10 JICE CCCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 2297344641 AXNLYDJONGINGZ-UHFFFAOYSA-N 498.586 4.272 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C(=N)N21 2297345735 XAJNARYGYVYZKM-UHFFFAOYSA-N 476.967 4.247 10 10 JICE Cc1[nH]c2ccc(Br)cc2c1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O 2297360035 UQQGMSCOCZWAAZ-UHFFFAOYSA-N 458.312 4.209 10 10 JICE O=C1C[C@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2297464221 IBIPBNNCCNTNRT-HNNXBMFYSA-N 480.464 4.378 10 10 JICE COc1ccc(C2=NN(C)C(=O)C2=Cc2cc(Br)cc(Br)c2O)cc1 2332131488 ZDVCXAJOBGSORB-UHFFFAOYSA-N 466.129 4.186 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526366103 FLVGTQPZAWERNW-DEOSSOPVSA-N 462.502 4.238 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 1857997475 FGHBZBFJWXMJLM-UHFFFAOYSA-N 498.536 4.019 10 10 JICE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)N(C)C)cc1 1858593948 FLHXPOQSBSGKLC-KOMLCTQHSA-N 458.605 4.217 10 10 JICE CCOC(=O)CC(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866121428 PQEIWVKTTWCQTB-UHFFFAOYSA-N 454.342 4.418 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c2nccn2C)cc1 1866289270 CZLGWWAQTWOJKO-XMMPIXPASA-N 452.514 4.265 10 10 JICE C[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925504 FPVZPELUOPRYIW-VGSWGCGISA-N 475.008 4.007 10 10 JICE Cc1c(C)c2ccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874179116 OGSUBAIOCXDEIV-UHFFFAOYSA-N 453.450 4.203 10 10 JICE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1cc(Cl)cc(Br)c1O)C2 2156837026 LVLQQTGOZSSBEJ-WVUVWOFSSA-N 461.784 4.113 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 2294095486 TURFRORNPRCYNB-UHFFFAOYSA-N 451.822 4.483 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2294199282 MURYFVBWENEDTA-UHFFFAOYSA-N 471.853 4.479 10 10 JICE COCCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296704998 CTKNGGVUPBUBCB-UHFFFAOYSA-N 458.992 4.495 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2314414527 BQQBYPOJHZCADZ-MRXNPFEDSA-N 472.636 4.067 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC 2314760555 LDCPDYCYIVCKDM-UHFFFAOYSA-N 474.398 4.313 10 10 JICE CCOc1ccc(C=CC(=O)NCCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1OC 2320656383 LZGKOUUHUGNRSR-UHFFFAOYSA-N 498.626 4.133 10 10 JICE CCC[C@@H](C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccc1 10216840 OTQLDBZDYUATHF-ALDSOSFCSA-N 468.600 4.317 10 10 JICE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14461599 HFRQFDIZLRLUKQ-JCYRPKCISA-N 467.635 4.380 10 10 JICE CCN(CC)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 54369902 JMGHGIVYNNQPJH-VIZSFHNOSA-N 463.500 4.321 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 100276466 QHWRDTSFPSWNKZ-LPYMAVHISA-N 466.509 4.172 10 10 JICE C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 248260982 QMVVZORBGKWGLW-KIKDMBQDSA-N 461.606 4.174 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc(C)cc3)c3ccccc3)CC2)cc1 1861944191 XMTOSCZCVHYVLW-AVSAXJNYSA-N 469.585 4.223 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864014172 OSDAPKKWPUHSRH-JOCHJYFZSA-N 480.609 4.358 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1869209285 SITNYARQACEAGM-SFTDATJTSA-N 459.594 4.092 10 10 JICE CCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870976286 HFQWHUUUEXSODS-VWLOTQADSA-N 490.604 4.288 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3C)CC2)cc1 1874642618 JPULAFDSUBOXJU-MUUNZHRXSA-N 496.611 4.175 10 10 JICE O=C(O)CC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951600261 JTIFDIWXRXHAFC-OAHLLOKOSA-N 463.486 4.291 10 10 JICE CCN1CCc2cc([C@H](O)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106797481 BCOPWNBNGDEPCQ-RPLLCQBOSA-N 451.611 4.272 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)cc1 2294131018 SUCCNTKEYKIMCO-UHFFFAOYSA-N 471.513 4.246 10 10 JICE CCOc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296540795 USZDLPHMQCHFDD-UHFFFAOYSA-N 451.573 4.289 10 10 JICE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 2314414462 ZSRLUUKTFVRXGU-INIZCTEOSA-N 494.617 4.471 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 2314827648 JONIGGOFKRLSDB-UHFFFAOYSA-N 498.504 4.268 10 10 JICE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836152 AQTBFJJAHYDGDI-VIFPVBQESA-N 454.396 4.134 10 10 JICE Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(O)c([N+](=O)[O-])c4)S3)CC2)cc1Cl 1840443 AUWSOYHMVGJKHY-ODLFYWEKSA-N 458.927 4.055 10 10 JICE O=C1c2ccccc2-c2onc3c(N4CCN(C5CCCCC5)CC4)cc(N4CCOCC4)c1c23 9641556 KESBNXGNFLHJQP-UHFFFAOYSA-N 472.589 4.331 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccccc1 33458259 COTNAUXEWOPKJO-LPYMAVHISA-N 494.594 4.385 10 10 JICE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 33753453 FGDSGZGAXYHSMY-PKTZIBPZSA-N 483.594 4.439 10 10 JICE Cn1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 33779695 AXFFJAUETNDQGR-LICLKQGHSA-N 472.389 4.487 10 10 JICE CCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 39836085 PKSDPDILILKGBS-QGOAFFKASA-N 467.572 4.415 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40888844 UIZMHCORUOSKRG-UVTDQMKNSA-N 474.398 4.011 10 10 JICE CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084602835 VVVKUPFJNJVRCW-CYVLTUHYSA-N 471.351 4.333 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1565519800 HQLHZKMUJHOTSC-SBUREZEXSA-N 475.029 4.354 10 10 JICE Cc1cccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1C 1860591503 WNSGGXDTPRTAEQ-UHFFFAOYSA-N 496.563 4.335 10 10 JICE COC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874393 AWBTVDFYUFWQKL-UHFFFAOYSA-N 470.529 4.199 10 10 JICE COCCNC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870969066 HSFHHXWYSWKPIO-UHFFFAOYSA-N 492.620 4.392 10 10 JICE CCOCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167365 DBMDIDUICLUAAV-UHFFFAOYSA-N 492.664 4.066 10 10 JICE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(F)(F)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952205620 ZJZPKGMZWXZLOB-JOCHJYFZSA-N 469.440 4.268 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079863785 VCWYZTROUKKPFV-AWEZNQCLSA-N 483.272 4.315 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1cccc(C(=O)O)c1 2293535029 KLAMRSKPYZXWSM-UHFFFAOYSA-N 486.336 4.314 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCCC3)nc12 2296285353 YCBFJHPEDLGFJR-UHFFFAOYSA-N 490.654 4.437 10 10 JICE COc1cc(C=C2SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 2296879781 BPAHTSLPFSGIOL-OAHLLOKOSA-N 459.545 4.130 10 10 JICE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1OC 2297347629 OUWWWBONWMDTTJ-UHFFFAOYSA-N 467.865 4.027 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c(C)c1 2297454224 ADFYRXFGCFOGQY-UHFFFAOYSA-N 465.575 4.123 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314828391 SRWMQMMILVJRDL-UHFFFAOYSA-N 458.561 4.030 10 10 JICE O=S(=O)(Nc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c1O)c1ccccc1 3098665 LCPJJXRVJYIBJP-UHFFFAOYSA-N 473.359 4.301 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)Cc4ccc(Cl)cc4)o3)CC2)cc1 9115843 RMOKAXCOCFHGGQ-JGCGQSQUSA-N 472.994 4.353 10 10 JICE O=S(=O)(c1ccc(/N=N/c2cc(Cl)cc(Br)c2O)cc1)N1CCOCC1 13980780 KBGBDZIPQUPYBT-FMQUCBEESA-N 460.737 4.244 10 10 JICE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 16908204 SOJJDDFXGPGIDV-CXUHLZMHSA-N 497.381 4.393 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 33333319 KXJODDAXEREUPK-QURGRASLSA-N 489.578 4.345 10 10 JICE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33446168 BCIJSHGODJQHGZ-HXHKZXPTSA-N 498.674 4.150 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 39920748 ZFBDTBMSVDVVBA-HSZRJFAPSA-N 450.926 4.083 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 96450607 WTEYVWREUIMVCM-YMINWEEVSA-N 496.570 4.253 10 10 JICE CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 731356020 OKDOVOHLGXSIHT-ACRUOGEOSA-N 471.617 4.017 10 10 JICE O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 1081105092 VGTQIRKSJRCVJI-FYJGNVAPSA-N 483.455 4.193 10 10 JICE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705731079 RWWRNHPHZBNGRM-QPPBQGQZSA-N 479.625 4.185 10 10 JICE Cc1c(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cccc1[N+](=O)[O-] 1860603155 WDXUHZKSQBQENQ-UHFFFAOYSA-N 497.507 4.170 10 10 JICE CCN(CC)Cc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860713499 DDJCEHDUTUXXRI-UHFFFAOYSA-N 469.585 4.422 10 10 JICE CC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862218338 FFMALBAIDWEBJC-AREMUKBSSA-N 495.664 4.395 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864014454 VKEYWSITLQFOLU-NRFANRHFSA-N 470.614 4.294 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)c(C)c1 2297617239 MSEXCICEXFYPJZ-UHFFFAOYSA-N 465.487 4.109 10 10 JICE CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2314765099 UUTQHZJFFLYRAW-UHFFFAOYSA-N 463.378 4.394 10 10 JICE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 20407215 OJAAGPQWRFJBEG-UNOMPAQXSA-N 464.524 4.499 10 10 JICE CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)s1 22666406 FJXMUYFBKARRFH-XMMPIXPASA-N 469.676 4.454 10 10 JICE Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 28273475 VEOWCCHLWJLKCH-UHFFFAOYSA-N 451.954 4.481 10 10 JICE Cc1ccc(Sc2nccnc2SCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 33288828 MBDVHNSKXGGGJD-UHFFFAOYSA-N 466.632 4.181 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 33517592 XKPLAFBOUFFYDU-BRYHAGSVSA-N 450.589 4.397 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)CSc3ccc(F)cc3)c3ccco3)CC2)cc1 56943677 ANZPCENFTRXOCI-QHCPKHFHSA-N 469.582 4.199 10 10 JICE C[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59428039 KZRYXKSIZJNLEV-ZFIFVKQDSA-N 499.950 4.462 10 10 JICE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCC)c1 59533260 CBTZCXOLFTULTJ-BOPFTXTBSA-N 473.323 4.221 10 10 JICE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC[C@H]5C)cc34)CC2)cc1 65002092 NUHZXHPBALISQF-JOCHJYFZSA-N 487.648 4.174 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 208269695 KKQDRZJPTNLIEM-UDWIEESQSA-N 466.632 4.425 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 210445754 UXHZQWXIINIJMB-ODLFYWEKSA-N 457.529 4.157 10 10 JICE O=C(NC[C@H]1CCCO1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586625246 ZHGWQSBEWBVTFD-GOSISDBHSA-N 469.497 4.015 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(C)c4C)n4ccccc34)CC2)cc1 1858227143 WRMUJHYMFGDGJB-UHFFFAOYSA-N 483.572 4.174 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)c(Cl)c4)cn3)CC2)cc1 1858433385 DMNQLBFSXYVVPF-UHFFFAOYSA-N 472.998 4.179 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864010456 TVUFNGWBFBNBIS-DEOSSOPVSA-N 496.567 4.223 10 10 JICE CCOC(=O)c1c(NC(=O)c2cc(O)nc(O)n2)sc(C)c1-c1ccc(Br)cc1 1865982037 VXCRAFVGEDONNY-UHFFFAOYSA-N 478.324 4.116 10 10 JICE CC[C@H](NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811529 KAVIIQMWKQMSPG-QWYDYZLZSA-N 452.510 4.399 10 10 JICE C/C(=C\c1ccccc1)C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866814375 WNLWEZDTJAPVLE-WUKNDPDISA-N 452.510 4.399 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164618 JXTSIUWJSDHPNY-UHFFFAOYSA-N 486.591 4.197 10 10 JICE CCN1C(=O)c2ccc(-c3ccc(C=C4C(=O)NN(c5ccc(Cl)c(Cl)c5)C4=O)o3)cc2C1=O 2297533578 RVMVCVMHQYLKNN-UHFFFAOYSA-N 496.306 4.331 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C[C@H]1CCCO1 2313630073 FEXUUMSDTYFOQD-OAHLLOKOSA-N 478.401 4.422 10 10 JICE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 2314768183 FKDODNVCKMUCLN-UHFFFAOYSA-N 463.378 4.312 10 10 JICE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468524 MVHRELOAXGMVLE-ZYLNGJIFSA-N 468.575 4.232 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 33373222 KUNUQSPWFQWDJO-MLKPBCHCSA-N 466.628 4.245 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cccc(OC)c1 33567586 BWLOXUTTXZOPEX-KQWNVCNZSA-N 474.513 4.013 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 102994787 GHKPZBKCVFPCOC-XMHGGMMESA-N 481.599 4.341 10 10 JICE CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 109184468 OBHKJTIETZWOGQ-CJFMBICVSA-N 465.638 4.453 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 213156061 FTXQGFFMKLVJGM-JXAWBTAJSA-N 485.562 4.254 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(I)cc1 1860721218 HWUIQVFCMDJWCL-UHFFFAOYSA-N 495.542 4.141 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(CC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009895 MVHHAFHLYMYFKS-WNSKOXEYSA-N 476.577 4.147 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864016250 KKYVIYMELHNPHH-NRFANRHFSA-N 474.561 4.125 10 10 JICE Cc1ccc(C)c(CN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873164534 GSKPFXTYRHCLHR-UHFFFAOYSA-N 470.617 4.142 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCc5ccccc5)ncnc4n3C)CC2)cc1 1875198031 QMPWKKHPIFRXGJ-UHFFFAOYSA-N 498.631 4.374 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc2cc(Br)ccc2oc1=O 1891785693 KSUBEOFRWJZXQA-KXBFYZLASA-N 453.336 4.474 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892128501 HWNVEZVWDJEBJU-CVJWPJSTSA-N 495.689 4.442 10 10 JICE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(O)c(O)c1O 1952433643 DTXRTQAHXSNWPN-OAQYLSRUSA-N 477.513 4.463 10 10 JICE Cc1ccc2nc(N3CCSCC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2040498306 HKJQLNOKQDFHKU-UHFFFAOYSA-N 486.688 4.090 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(F)cc1 2297341061 MWQUVMAPQHPCOV-UHFFFAOYSA-N 456.524 4.353 10 10 JICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314627517 GJLDDDMLMHASHP-JOCHJYFZSA-N 495.670 4.162 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OC 2314754090 KMOQHYVKXLTWFR-UHFFFAOYSA-N 474.398 4.313 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836295 CJKZPKCWDCXDON-UHFFFAOYSA-N 499.452 4.192 10 10 JICE C[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)O 2314928787 BKSKKHFBHKAQKT-JTQLQIEISA-N 497.381 4.392 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(CC)cc4)n3)cc21 11857544 RBRHBARELOUXAP-UHFFFAOYSA-N 457.577 4.309 10 10 JICE Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1cccc(O)c1O)O2 15858869 IMTHENGNONMJKF-HHHXNRCGSA-N 495.535 4.205 10 10 JICE COc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 33323817 MXLDVGDENNTOKQ-MHWRWJLKSA-N 463.378 4.298 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526264882 XVGNFQIOUMSTDH-XMMPIXPASA-N 461.470 4.375 10 10 JICE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586663563 NEJUJRZJGRIXPJ-CALCHBBNSA-N 483.524 4.355 10 10 JICE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)c1 1859574333 XERBFCHTGXDSDW-UHFFFAOYSA-N 473.576 4.211 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCOc3ccccc3)c3ccccc3)CC2)cc1 1862222732 AVSIAJPONNJZBL-MUUNZHRXSA-N 487.600 4.061 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864021195 MTLFTUOHNMWGQV-QFIPXVFZSA-N 480.609 4.214 10 10 JICE COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2cc(Br)cc(OC)c2O)cc1 1865672204 PMKZKTFLNXBEET-VCHYOVAHSA-N 459.340 4.458 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987129 IIYOTGPYFGEUAN-XMMPIXPASA-N 491.611 4.359 10 10 JICE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCC 1873549088 XLKPOFZRLYUKNL-UHFFFAOYSA-N 478.641 4.439 10 10 JICE Cc1cc(C=C2NC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2294581333 HVYYHJMRLJPJBG-UHFFFAOYSA-N 479.474 4.048 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)c1 2296885303 NVGISFXRXWKZMO-UHFFFAOYSA-N 456.545 4.014 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2297096193 WRQGLEQYJVESQT-UHFFFAOYSA-N 499.552 4.215 10 10 JICE COc1cccc(OCCOc2c(Br)cc(C=C3SC(=S)NC3=O)cc2OC)c1 2297306607 AJZRQLLRMCOYQC-UHFFFAOYSA-N 496.404 4.413 10 10 JICE COc1ccc(N2CCN(C(=O)CCC(C)=CCc3c(O)c4c(c(C)c3OC)COC4=O)CC2)cc1 2297590790 LRXYEHWAOUJZLP-UHFFFAOYSA-N 494.588 4.006 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 2313681422 DNPOLYLZKDRLME-UHFFFAOYSA-N 488.953 4.170 10 10 JICE CCCN1N=C(C(F)(F)F)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131458 VJUQLBPVRGOCKN-UHFFFAOYSA-N 456.056 4.471 10 10 JICE O=C(O)CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)SC1=S 3337129 BAYIKGKTRILIHC-BOPFTXTBSA-N 476.963 4.033 10 10 JICE CCOc1cc(/C=C2/SC(Nc3ccc(C(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 16920078 NBKIXGGLCOJPHO-DEDYPNTBSA-N 454.504 4.224 10 10 JICE COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 57015865 QGDJDJHPIKVYOH-KBMIEXCESA-N 465.619 4.447 10 10 JICE CCOc1ccc(/C=C/C(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1OC 62060316 LZGKOUUHUGNRSR-ZREJUOENSA-N 498.626 4.133 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)OC(C)C)c(OC)c3)C2=O)cc1 96577133 RTBUDHYJGAUBQR-BKUYFWCQSA-N 480.517 4.008 10 10 JICE Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 101993308 VOOKGUPHOIGAFH-FSSWDIPSSA-N 471.896 4.344 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526513478 ZNNZWMHSVAMOJJ-RUZDIDTESA-N 490.512 4.439 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)sc(C)c1-c1ccc(F)cc1 1860627353 FOEJKFPDTMQEBQ-IBGZPJMESA-N 488.581 4.395 10 10 JICE O=C(CCNCc1ccccc1Br)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860712705 MCXQEZYRECDJEM-UHFFFAOYSA-N 463.331 4.343 10 10 JICE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CNCc1cc(C)ccc1O 1860720698 PAHSLAKCRMRJDD-UHFFFAOYSA-N 477.561 4.479 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn([C@@H](C(=O)O)c3ccccc3)c3ccccc23)SC1=S 1860826749 LSNAKNGTSCTVBD-UBXANZILSA-N 480.567 4.381 10 10 JICE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1869189058 BMXHXRROALTUTE-UHFFFAOYSA-N 468.690 4.277 10 10 JICE COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874180045 XAHOUUDNNDNSFV-UHFFFAOYSA-N 451.482 4.350 10 10 JICE Nc1ccc(OCCC(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2044226437 JDWSDYODGBBFGG-UHFFFAOYSA-N 475.545 4.014 10 10 JICE CN(C)c1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2294498902 UAJLBBZPCUCHSB-UHFFFAOYSA-N 460.378 4.243 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 2297467774 NHCQBQIFOYMSSS-UHFFFAOYSA-N 497.536 4.367 10 10 JICE CC(C)c1ccc(OCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944991 CGKYCZYBHKMFLP-UHFFFAOYSA-N 496.610 4.282 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2C)cc1C 8646106 IWWYTTGXJWCPDX-AREMUKBSSA-N 474.517 4.269 10 10 JICE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN12 32964489 IUCOJJVKZCHLQK-DGXSBDJDSA-N 468.804 4.220 10 10 JICE C[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N2CCOCC2)cc1 727478002 MVXSYJRRCGAAIK-BXKMTCNYSA-N 483.012 4.395 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084452246 ZUWYQBCXWHXDQV-GZTJUZNOSA-N 482.246 4.284 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1O 1197589467 LBKWOVSTAQTMFF-XJKSGUPXSA-N 450.885 4.383 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)[C@H]2C1 1637124546 LNEKIBYKVXNROK-CUWPLCDZSA-N 458.400 4.233 10 10 JICE CCOc1ccc(Cc2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858335765 KEGQYCVRNFROMN-UHFFFAOYSA-N 470.573 4.295 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012173 TUMHIUYBIDBPDU-XMMPIXPASA-N 490.604 4.269 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029256 JGZUGJHBXPLDLD-HSZRJFAPSA-N 488.588 4.333 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CCCCCC(=O)N2CCCCC2)N2CCCCC2)cc1 1866218094 WWDHDIHBVFNBMN-VWLOTQADSA-N 456.675 4.359 10 10 JICE O=C(N[C@]1(c2cc([N+](=O)[O-])ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952777184 YKYVAYYNDMFMDX-BWKNWUBXSA-N 460.442 4.139 10 10 JICE O=C(N[C@H]1C(F)(F)C12CC(NCc1cc(Br)ccc1O)C2)OCc1ccccc1 2142146882 RNBCNMWKUOQNSC-KGXSXCIVSA-N 467.310 4.337 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)cc(Br)c2O)C[C@]12CCOC2 2155201822 MBXOKKGVIXBZQE-KUHUBIRLSA-N 461.784 4.066 10 10 JICE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNCc2cc(Cl)cc(Br)c2O)O1 2181158815 NFBDSIZQXLPMJA-DOMZBBRYSA-N 463.800 4.312 10 10 JICE COc1ccccc1OCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OC 2293218356 PRYYKRVLIXFLEZ-UHFFFAOYSA-N 496.404 4.413 10 10 JICE O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297366269 SMGUVRHQFAUOOI-UHFFFAOYSA-N 451.822 4.170 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1cccc(Br)c1 2313510711 HTSHTYCLKWYQHQ-UHFFFAOYSA-N 456.336 4.373 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 2313631119 ALQZGWFTNXDXAC-UHFFFAOYSA-N 463.534 4.065 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400627 ONRIZTRJHIJLQZ-IAGOWNOFSA-N 486.663 4.008 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827771 MBVSUDGXTPQLCZ-UHFFFAOYSA-N 467.450 4.454 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)C(C)=O 2314926946 WBMHSGRPFWUEMQ-KRWDZBQOSA-N 457.529 4.243 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683815 XCTZBKXSXSHYCO-IECBHUPTSA-N 450.535 4.011 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCc3ccco3)nc12 33780935 RWJIFHQLFQOMQU-LDADJPATSA-N 466.588 4.352 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2c1 38732855 JBQYWXPKGQRTRP-BKUYFWCQSA-N 492.626 4.239 10 10 JICE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413668 SVCAVNZFAYASIZ-HSZRJFAPSA-N 472.570 4.279 10 10 JICE CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 96912695 AHPDTBPQNLQOKP-RAXLEYEMSA-N 476.602 4.336 10 10 JICE Oc1ccc(F)cc1CNc1cc(I)cc(I)c1 690362158 CXGWPJNDUGZCDQ-UHFFFAOYSA-N 469.035 4.353 10 10 JICE CC(=O)N1CCc2c(NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)cccc21 1448112551 PLIJEVDEIBQHKN-UHFFFAOYSA-N 453.340 4.413 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(-c3cccnc3)cc2N1 1616061142 LYEMIZCHAWISLY-IFMALSPDSA-N 459.546 4.409 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867965610 ZAOXMNULGGCUGX-VXKWHMMOSA-N 473.621 4.401 10 10 JICE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1cccc(Cl)c1Cl 2040496117 NOASTCMTULSHJN-UHFFFAOYSA-N 481.382 4.353 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124506820 BDNYQZYLBSOIHA-HXUWFJFHSA-N 456.591 4.237 10 10 JICE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163136734 WJKCZJJZUHCICC-LEAFIULHSA-N 464.654 4.499 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 2294095511 UPUYWTXIXTWSNK-UHFFFAOYSA-N 458.430 4.011 10 10 JICE Cn1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c2ccccc21 2296882850 AHYKXACAFUHUDH-UHFFFAOYSA-N 472.389 4.487 10 10 JICE COc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314827685 KFEWLGSLAGOSDC-UHFFFAOYSA-N 493.404 4.393 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 15034361 YKMUXOZDXFFRFY-WQRHYEAKSA-N 490.990 4.342 10 10 JICE Cc1cccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)c1 33311549 IUVKRFZCARUSNH-WOJGMQOQSA-N 467.275 4.177 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)ccc4OC)c3[N+](=O)[O-])CC2)cc1 40589503 WNQQDARSZAUZRA-UHFFFAOYSA-N 470.917 4.126 10 10 JICE COC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S 40845352 TYQZWWSJRPMPSR-RVDMUPIBSA-N 458.399 4.392 10 10 JICE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 71972803 IDITZQWNBGDPKF-ACCUITESSA-N 469.994 4.289 10 10 JICE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 102687103 WIXSSUHNYJGRRG-NBVRZTHBSA-N 468.604 4.315 10 10 JICE CCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860876347 FMINESSLPJMIFN-UHFFFAOYSA-N 472.589 4.366 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008414 KAGZULYNACYLEV-MYRUOYEDSA-N 488.588 4.290 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079863786 VCWYZTROUKKPFV-CQSZACIVSA-N 483.272 4.315 10 10 JICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314741161 UIZMHCORUOSKRG-UHFFFAOYSA-N 474.398 4.011 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2314769389 PQWKZNDLUKXQPD-IBGZPJMESA-N 472.544 4.499 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314817660 KHXNBJHFOPJNNK-UHFFFAOYSA-N 482.562 4.144 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314827276 AMQIKAPSKMAUJF-UHFFFAOYSA-N 498.626 4.228 10 10 JICE Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14457830 WNNRKLXFSYZPRU-MCEYFSPLSA-N 451.636 4.374 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 20833979 NWPUWDPUNJYOAS-NRFANRHFSA-N 467.472 4.041 10 10 JICE N=C1/C(=C\c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN12 32964490 LCXRHLOYAWMKRY-DGXSBDJDSA-N 468.804 4.220 10 10 JICE CCNc1cc(N2CCN(CCOc3ccc(O)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 63490358 DWSGTPPZGZLTND-UHFFFAOYSA-N 484.556 4.378 10 10 JICE CCN(CC)c1ccc(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1 389339264 XPJSBSVHCIOBMU-UHFFFAOYSA-N 450.624 4.040 10 10 JICE CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 1084595483 DGSJKLWGDMYUET-XNTDXEJSSA-N 473.323 4.140 10 10 JICE COc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860502034 JFNLMMPZZFISCR-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CCc1sc(NC(=O)C(=O)NCC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763492 IRIALHGQMANZOQ-UHFFFAOYSA-N 467.385 4.237 10 10 JICE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665860 PDVKAFUUNRKZLF-QOMWVZHYSA-N 497.595 4.236 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873166278 JUAWQWZBQOLKBQ-QFIPXVFZSA-N 495.583 4.019 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCOCC)ncnc21 1875213909 XKAPAXFXFCBSDV-UHFFFAOYSA-N 494.640 4.041 10 10 JICE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106816666 QOLIQDXSLVPDMN-CPJLOUKISA-N 458.603 4.056 10 10 JICE C[C@@H](c1ccccc1O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2124169604 RDTRGDKMMIZDST-SIBVEZHUSA-N 453.583 4.081 10 10 JICE COc1ccc(O)c([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2140603532 QXBXOFRUWVODHX-PZJWPPBQSA-N 455.599 4.173 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccc(F)cc3)C2=O)cc1Cl 2296588949 BNQPSSLFEIVNEV-UHFFFAOYSA-N 453.857 4.004 10 10 JICE CCOc1ccc(CC2=NN3C(=N)C(=Cc4ccc(F)cc4)C(=O)N=C3S2)cc1OCC 2296650839 TZFRBFHVPPKWQF-UHFFFAOYSA-N 452.511 4.485 10 10 JICE COc1cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 2297317097 WHLPLKROCYPIDG-UHFFFAOYSA-N 479.514 4.178 10 10 JICE O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 659534 NHTQAHOZVBYSNE-XSFVSMFZSA-N 496.304 4.332 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15047346 GHRRRPKBPKEYCB-XACIZNRCSA-N 451.529 4.095 10 10 JICE COc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)ccc1OCc1cccc(C(=O)O)c1 17145830 IMDCKZUOGLOHLP-UHFFFAOYSA-N 474.465 4.329 10 10 JICE Cc1cc(C(=O)NC2CCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)c(C)o1 727598913 BTVGFPAAMTWRKR-UHFFFAOYSA-N 462.594 4.450 10 10 JICE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl 1084259820 HWRRHTWSYKVGQN-CPNJWEJPSA-N 494.887 4.452 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1O 1643882583 NUYJFJIEFWJFDI-IEBWSBKVSA-N 454.876 4.285 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(c4ccc(Oc5ccccc5)cc4)C3=O)CC2)cc1 1858109630 MZESAZRVUFLDQJ-AREMUKBSSA-N 471.557 4.189 10 10 JICE Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860587759 TUMHOHGVWXSPNR-UHFFFAOYSA-N 452.510 4.261 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cccc(OC)c5OC)[nH]c4c3)CC2)cc1 1861868251 SQBABTFPHRWWQH-UHFFFAOYSA-N 472.545 4.218 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042206 FYRHJOWTESIGSM-JOCHJYFZSA-N 488.426 4.095 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030054 BCIDUGSKHZTXMY-NRFANRHFSA-N 470.614 4.246 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cccc(Br)c3n2)c2nccn2C)cc1 1866544913 ZBGUPOQFSWNWJO-FQEVSTJZSA-N 480.366 4.022 10 10 JICE Cc1nc(C(C)C)c(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1867154024 SEXAXOSFEQWZCZ-CYBMUJFWSA-N 461.543 4.107 10 10 JICE COC(=O)c1ccc(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167099 RVNZUMSMZQGIOZ-UHFFFAOYSA-N 471.557 4.159 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC(C)CC5)ncnc4n3CC(C)C)CC2)cc1 1873550726 YRYIQGYPRAYSDR-UHFFFAOYSA-N 490.652 4.295 10 10 JICE CO[C@H](C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951991851 CDWDSOSIQJHVKV-CRICUBBOSA-N 477.513 4.037 10 10 JICE Cc1cc(C=C(C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc2c(c1)OCO2 2040474942 VUSDDAGBNCUPBH-UHFFFAOYSA-N 470.529 4.099 10 10 JICE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106816667 QOLIQDXSLVPDMN-IVCQMTBJSA-N 458.603 4.056 10 10 JICE COC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 2293976770 NAWHCEYSDANTRW-UHFFFAOYSA-N 467.316 4.205 10 10 JICE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297499629 QPRMAHVJIWRWPA-UHFFFAOYSA-N 495.586 4.038 10 10 JICE CC[C@H](C)[C@@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580223 GIMAHZLTMPHYGX-IFXJQAMLSA-N 454.573 4.322 10 10 JICE Cc1nnc(SCC2=CC(C)(C)N3C(=O)C(=C4SC(=S)NC4=O)c4cccc2c43)s1 2297632345 XIIYQMDCEJZADK-UHFFFAOYSA-N 472.642 4.020 10 10 JICE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 2313548082 LCTSYWQHUTVVFW-UHFFFAOYSA-N 473.323 4.221 10 10 JICE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 205611047 GJLDDDMLMHASHP-WWOVWOHCSA-N 495.670 4.162 10 10 JICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 213197814 YEDPFFWJHIRVMS-PDGQHHTCSA-N 495.582 4.088 10 10 JICE O=C(NC[C@@H]1CCCO1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586625249 ZHGWQSBEWBVTFD-SFHVURJKSA-N 469.497 4.015 10 10 JICE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 727375695 UCLXDNZEFSKSAQ-MHZLTWQESA-N 492.664 4.224 10 10 JICE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084304945 AYMCXFPYXJIQIM-STZFKDTASA-N 457.486 4.109 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2cccc(C)c2)CC1 1860484225 CSEKNCIKGKCEOV-CYYJNZCTSA-N 453.587 4.450 10 10 JICE C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571082 ISDZCLXEKVQGFM-INIZCTEOSA-N 465.509 4.019 10 10 JICE O=C(CCc1ccco1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866578012 GQDHJKNKXAAICW-AREMUKBSSA-N 478.504 4.484 10 10 JICE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868686436 QFDHVAPEKYBFPU-LBNVMWSVSA-N 463.622 4.213 10 10 JICE Cc1ccc(C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425603 HSBMSTKPKDYVEV-UHFFFAOYSA-N 498.627 4.235 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccc(C)cc3)CC2)cc1 1874643118 SMDRWMWWVGWUDR-NDEPHWFRSA-N 496.611 4.175 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC)c(OCC)c2)SC1=S 2314761507 VCCSXAWMGORLHS-UHFFFAOYSA-N 474.398 4.011 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469305 BGPABRCJPDRRHB-HJJDGDTKSA-N 462.546 4.356 10 10 JICE Cc1cccc(Sc2nccnc2SCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 33289088 VLRQVCQXJVAZME-UHFFFAOYSA-N 479.675 4.097 10 10 JICE CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 40940446 PUFNVPJYYYFGDB-LFIBNONCSA-N 463.378 4.394 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 213149720 ROQRSNBWVLCIEP-JXAWBTAJSA-N 495.582 4.115 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 526498292 CDEXORLHTNGAPW-SANMLTNESA-N 488.540 4.390 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCN(C)C(C)C)[C@@H](C)C1 1508240661 XPYUXKHMBVFZAH-QFIPXVFZSA-N 491.684 4.140 10 10 JICE CCCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)s1 1860347414 OSUWRISPTPIKBF-DEOSSOPVSA-N 486.601 4.231 10 10 JICE CCCCc1ccc2[nH]c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866516063 JANHTSYSPQPAAA-RUZDIDTESA-N 457.578 4.190 10 10 JICE CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867050124 JAPNWIHDCUWFTG-GPXNEJASSA-N 466.537 4.489 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711614 QFZYGOIFPWXVRU-GBXCKJPGSA-N 469.601 4.126 10 10 JICE CCCCn1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc2c(=O)n3ccccc3nc21 1891658904 LTQMLKKNWNVSEL-UNMCSNQZSA-N 469.589 4.368 10 10 JICE O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc21 1892265287 WLEZAQRXOABJMF-UHFFFAOYSA-N 450.545 4.085 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079040215 KBINTWZJDZGPGF-CYBMUJFWSA-N 479.240 4.009 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2296755519 HVYWPSRBYLBVSG-UHFFFAOYSA-N 478.349 4.197 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1 2297059939 SIEJUTUWEKUJGP-UHFFFAOYSA-N 482.901 4.138 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)s1 2314487233 FXCDEEZUTSKFRU-UHFFFAOYSA-N 474.633 4.398 10 10 JICE COCCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)Cc1nnc(-c2cccs2)o1 12553903 KMCHLIMYDHIYJA-UHFFFAOYSA-N 494.573 4.266 10 10 JICE CC1CCN(C(=O)C2=CN(c3ccc4c(c3)OCCO4)c3cc(Cl)ccc3S2(=O)=O)CC1 65096316 DJBDAXSAQBQPTR-UHFFFAOYSA-N 474.966 4.137 10 10 JICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1 254877313 QZONATYFZYEZID-AREMUKBSSA-N 497.620 4.206 10 10 JICE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1c[nH]c2cc(Cl)ccc12 726981976 IQRYZXFHNXKRDQ-UHFFFAOYSA-N 464.932 4.007 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1084207025 LNNNKOUOUJHXSH-UVTDQMKNSA-N 471.853 4.479 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Br)cc3)sc2CCC(=O)O)cc1 1858034716 CYXSGSALBLIURX-UHFFFAOYSA-N 497.392 4.399 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013606 DKXVKAVNDDIQGO-KSFYIVLOSA-N 476.577 4.229 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864017271 IZPLTJNFMSTZCA-MZNJEOGPSA-N 496.567 4.418 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCC2 1865923736 LXWYYNBLRFWXMU-LBPRGKRZSA-N 462.955 4.067 10 10 JICE COc1ccc(N2CCN(c3cc(N4CC[C@H](c5ccco5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869370665 VDYVFUQBNLMPFL-QFIPXVFZSA-N 482.588 4.461 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873164349 XQYVCBDVUWUWRC-NRFANRHFSA-N 461.587 4.204 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165888 VIIDSINSGGVWPG-UHFFFAOYSA-N 471.605 4.383 10 10 JICE COc1cc2c(cc1OC)-c1[nH]nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c1C2 1874180057 XSBNRNPHXZBPEZ-UHFFFAOYSA-N 465.465 4.026 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@](Cc2ccc(O)c(O)c2)(C(=O)O)C1 1951727762 YJJXCWPBYMKVKA-HHHXNRCGSA-N 459.498 4.366 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 2296885191 HXUYEWSCQIMVJM-UHFFFAOYSA-N 454.504 4.162 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 2314913624 HSBGGSOKMLLLGT-UHFFFAOYSA-N 494.598 4.207 10 10 JICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141218 LKPSXBGEMMBTPX-UHFFFAOYSA-N 489.459 4.344 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 15044791 XQFORFXZLSDPKL-SDXDJHTJSA-N 466.600 4.349 10 10 JICE CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4cc(OC)ccc4OC)ccc3n2)CC1 20108659 PHAQBDGKGRNDKW-IZZDOVSWSA-N 460.578 4.354 10 10 JICE CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)o2)c1 20356729 PSVVBGHKACATLT-HVFYXHJKSA-N 491.573 4.432 10 10 JICE O=C(c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21)N1CCOCC1 20696119 IXXNHMYMMNQSPZ-JIGPKXGUSA-N 455.352 4.454 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2)cc1 33283639 CGDVFUZSZHAFJQ-UHFFFAOYSA-N 475.593 4.017 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(Br)c3)c3ccco3)CC2)cc1 38598217 QNERNZSXUNFAMZ-QFIPXVFZSA-N 484.394 4.344 10 10 JICE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989754 HKLDJAAJYQNNNR-BXIUTPEUSA-N 472.680 4.388 10 10 JICE Cc1nn(-c2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 59858344 RJXOHGSKRVRYOU-QNGOZBTKSA-N 451.486 4.221 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(-n4cccc4)cc3)C2=O)c1 62060576 XQFNTPMZFLRRCJ-LTGZKZEYSA-N 463.584 4.117 10 10 JICE COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2C)cc1 105726765 RWWXUFGYVHDOHU-UHFFFAOYSA-N 451.954 4.354 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526333441 LDOGBDQRJSGPGX-QHCPKHFHSA-N 476.485 4.131 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 1083973301 ALQZGWFTNXDXAC-JCMHNJIXSA-N 463.534 4.065 10 10 JICE CCOc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 1084319549 SVRNJQVQVGERJB-HAVVHWLPSA-N 470.525 4.369 10 10 JICE O=C(C[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 1860221323 ZOSLYJDTYORTGG-HXUWFJFHSA-N 464.949 4.240 10 10 JICE Cc1cc(OCC(=O)NCCc2ccc(O)c(O)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1860268361 PALFXDUEFTVGND-UHFFFAOYSA-N 473.525 4.150 10 10 JICE CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860271938 BKDVJKYODBTUNO-LJQANCHMSA-N 464.562 4.179 10 10 JICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014546 XUZXKZZFRDZMMN-JOCHJYFZSA-N 482.540 4.170 10 10 JICE CC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054599 UBTXOZKTLWSTRS-BXOOBUKZSA-N 466.537 4.489 10 10 JICE CCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870607308 KFSFOISNQLCBLJ-UHFFFAOYSA-N 477.605 4.177 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873164648 KXNMJNSFRWMUMN-UHFFFAOYSA-N 453.546 4.250 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C(C)C)C2=O)cc1 1873424497 QIKCBGNMDPWAEH-UHFFFAOYSA-N 457.530 4.466 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccc4[nH]cc(CN5CCOCC5)c34)cccc21 1874179997 VCNBUECUMLSUHN-UHFFFAOYSA-N 465.509 4.028 10 10 JICE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2078981347 MELURVIBEZIURH-QGZVFWFLSA-N 454.308 4.411 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080035779 HLLXTESYONTTET-SECBINFHSA-N 450.223 4.144 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2293544158 UCJMDYNKGHYDDP-UHFFFAOYSA-N 471.882 4.085 10 10 JICE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2313559802 UPTDMIKXYXDBJS-UHFFFAOYSA-N 479.714 4.176 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314414096 PLDQDSCIBPWQNM-UHFFFAOYSA-N 486.663 4.375 10 10 JICE CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9645930 NPXLJQNNHULSAK-UHFFFAOYSA-N 486.615 4.111 10 10 JICE CC(/C=C1\SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C1=O)=C\c1ccccc1 15044911 QVNHIVMZLCSNHL-SRKLUXGOSA-N 460.621 4.376 10 10 JICE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 35638319 MSGRWJZTZUIIOK-OQKWZONESA-N 468.644 4.252 10 10 JICE COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c1O 38170775 BCMXKLDKLMVJPO-POHAHGRESA-N 468.274 4.287 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)cc3Cl)c3ccco3)CC2)cc1 38598147 AXSGBJNSAXNLJB-QFIPXVFZSA-N 457.933 4.374 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066577 NUNYBTJDIORVFO-UNOMPAQXSA-N 452.605 4.179 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54430614 POEKBHOIVGPMAK-OAQYLSRUSA-N 450.004 4.407 10 10 JICE COc1ccc(OC)c(NCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 1084091159 IBLYPOYHVQBHBV-GRSHGNNSSA-N 476.576 4.000 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012840 KMTIHXJSOZXRHL-HSZRJFAPSA-N 490.604 4.133 10 10 JICE CCCCOc1ccc(Nc2nc(=NCCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871613437 FFRCLDPMOJHTDZ-UHFFFAOYSA-N 491.640 4.373 10 10 JICE CCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179269 VTTCEQDGXMAPSO-QFIPXVFZSA-N 465.509 4.481 10 10 JICE Cc1cc(O)c([C@H](C)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080042511 HWVDOUMYYCUHTK-QMMMGPOBSA-N 454.186 4.136 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 2294095321 PPDKHWKISVBGJR-UHFFFAOYSA-N 456.502 4.027 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S)c1ccc(Cl)cc1 2314764821 NCYRNRNQADNFJI-UHFFFAOYSA-N 469.769 4.354 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)C(=O)O 2314926164 CJALQRBNTXABRQ-MRXNPFEDSA-N 457.529 4.341 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 855432 BQUXXQXLZJTAQY-FKBYEOEOSA-N 489.886 4.483 10 10 JICE COc1ccc(-n2c(C)cc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2C)cc1 27107020 JQBLUSONAWKEEF-UHFFFAOYSA-N 474.605 4.116 10 10 JICE NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1 1081102112 UGYZILWRZPENMW-LDADJPATSA-N 494.882 4.127 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865026188 JLCBHYXOHVQBAL-NRFANRHFSA-N 456.587 4.136 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1865874410 QKUZQXFQNGAHIB-RUZDIDTESA-N 464.654 4.123 10 10 JICE CC[C@@](C)(NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868990129 RWXPJBCOLJXIFH-NIYFSFCBSA-N 472.029 4.476 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873170496 BTANNJSPVINXLQ-UQBPGWFLSA-N 474.649 4.437 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419549 KEAKXINLZRIRNJ-QHCPKHFHSA-N 486.528 4.373 10 10 JICE COCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420225 KOYBTNZIGAHJEF-UHFFFAOYSA-N 474.517 4.149 10 10 JICE CCN1C(=O)C(Nc2ccc(OC)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422741 MQLGIBDLNPPXSB-UHFFFAOYSA-N 460.490 4.223 10 10 JICE O=C(N[C@@]1(c2c(O)cccc2[N+](=O)[O-])C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1953017757 QDLIZPWKMGVUCN-DFBJGRDBSA-N 460.442 4.139 10 10 JICE COc1ccc(O)c(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c1 2079714830 RBUBLIJZMDDNPG-UHFFFAOYSA-N 452.214 4.321 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2c(O)cccc2Br)[C@@H](C(F)(F)F)C1 2163267922 CZOZJGCRAKKARL-YPMHNXCESA-N 453.299 4.290 10 10 JICE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNCc2cc(Cl)cc(Br)c2O)O1 2181158817 NFBDSIZQXLPMJA-SWLSCSKDSA-N 463.800 4.312 10 10 JICE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)N(C(C)C)C3=O)o1 2293465016 AMAZOHBIPIBVCJ-UHFFFAOYSA-N 483.480 4.455 10 10 JICE Cc1ccc(CNC(=O)[C@H](CSC(C)C)NC(=O)OC(C)(C)C)c(O)c1Br 2380739173 HDZLVBFYKBREFL-AWEZNQCLSA-N 461.422 4.114 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cccc(C)c4C)c3)CC2)cc1 3023141 NRNUUXIVSKYSER-UHFFFAOYSA-N 497.592 4.214 10 10 JICE O=C1OC(c2ccccc2Br)=N/C1=C\Nc1ccc(Br)cc1C(=O)O 4507720 MIKOVXIVHHSRFQ-ZSOIEALJSA-N 466.085 4.167 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4ccc(Cl)cc4)n3)CC2)cc1 8979939 IGUPZLMICKMSFF-UHFFFAOYSA-N 471.970 4.412 10 10 JICE Cc1cccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@H]2c2ccc(N(C)C)cc2)c1 39919764 ZWHCWMRIIPWVSB-XMMPIXPASA-N 464.953 4.391 10 10 JICE O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1cncs1 90624418 XCBODWCJAHKLDM-UHFFFAOYSA-N 463.540 4.427 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc3c[nH]nc3c2)[C@H]1c1ccc(O)c(O)c1 526284826 PTJXDTAWPNOAEL-QHCPKHFHSA-N 473.485 4.439 10 10 JICE COc1ccc(N2CCN(C(=O)C(=O)c3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1 1088721775 FPYKNLFHTHGPAG-UHFFFAOYSA-N 469.541 4.287 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)C1 1508190899 RJQQAHPSXKMYJJ-QHCPKHFHSA-N 492.668 4.472 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(CCC(=O)O)s2)cc1 1858034953 MGUHJMCNLYJQDG-UHFFFAOYSA-N 462.549 4.035 10 10 JICE CCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1860758802 PSXBWUVZKNUUNT-UHFFFAOYSA-N 497.411 4.144 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccc(F)cc1 1860758906 MWYVXAKJEVWTCF-UHFFFAOYSA-N 489.613 4.403 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035416 SWLLOYFOIZIDJQ-HSZRJFAPSA-N 490.604 4.085 10 10 JICE COc1cccc2c1C(=O)N([C@@H](CC(C)C)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865837490 VPOQXHZJNLMNCY-QFIPXVFZSA-N 496.519 4.120 10 10 JICE CCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870773706 KNKITCYEWUEFNH-UHFFFAOYSA-N 491.632 4.355 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3cccs3)C2=O)cc1 1873170570 FZXHWTNUMHEEMS-UHFFFAOYSA-N 474.630 4.120 10 10 JICE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1951703140 MXJZLKLNWYIYDR-QNWVGRARSA-N 459.498 4.268 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2294094938 FPJXRMDDZDEFOV-UHFFFAOYSA-N 481.258 4.074 10 10 JICE O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296474103 VAEYJOSBWQAWHS-UHFFFAOYSA-N 453.473 4.491 10 10 JICE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 2296552213 YRWANDUCWYGKPN-UHFFFAOYSA-N 460.486 4.016 10 10 JICE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2297348028 UAEKVZIWBMOOLX-HNNXBMFYSA-N 475.457 4.477 10 10 JICE CC1=CN2C(=N)C(=Cc3ccc(OC(=O)c4ccco4)c(Br)c3)C(=O)N=C2S1 2297499644 RQAFUIRPYXJGKZ-UHFFFAOYSA-N 458.293 4.428 10 10 JICE CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2313560655 BBCFJJCZORUQBN-UHFFFAOYSA-N 454.349 4.255 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935556 QCRJALNGICTDTB-CYBMUJFWSA-N 486.571 4.301 10 10 JICE Cn1nc(Br)c(Br)c1CNCc1cc(Cl)cc(Br)c1O 2364443611 ORESNODSPYSXMT-UHFFFAOYSA-N 488.405 4.356 10 10 JICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 47152402 UYCAHPYTWKZODY-XBTXGSBDSA-N 463.924 4.182 10 10 JICE COc1cccc(C2=NN(C(=O)COc3cccc(C=O)c3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413222 JFTIRRZJFIXYDC-AREMUKBSSA-N 457.530 4.330 10 10 JICE Cc1cc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2 109350387 DEDXIUPSYWDDAZ-FQEVSTJZSA-N 465.594 4.166 10 10 JICE CC[C@H](NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cc(Br)ccc1O 387937966 FQYCLYGKMYSYHL-ICSRJNTNSA-N 463.372 4.233 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@@H]2Cc2ccc(Br)cc2)c1 920758625 UILRDAXDIXAZIT-XMMPIXPASA-N 487.438 4.397 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1O 1654726107 RJZIZHOKTUCNAK-PZJWPPBQSA-N 450.551 4.018 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)sc2CCC(=O)O)cc1 1858034933 KZLSFMSCWVSKIY-UHFFFAOYSA-N 482.967 4.299 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@@H](c4ccc(F)cc4)N(C)C)nc3C)CC2)cc1 1858129323 BXLRUINEOPUERZ-JOCHJYFZSA-N 468.598 4.213 10 10 JICE CC1(C)C(=O)Nc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)cc21 1859572754 FXTHMUUDJPMPGJ-UHFFFAOYSA-N 478.939 4.402 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)NC4CCCCC4)CC3)ccc21 1860590625 MTACXBNICVOPKD-UHFFFAOYSA-N 459.546 4.155 10 10 JICE CCC[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862140798 ZGZCVHWWNPVJPJ-GSJDOASHSA-N 463.622 4.466 10 10 JICE CCC[C@@H](NC(=O)CCCOc1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862228922 BXXLUGIMOKTSIW-AREMUKBSSA-N 481.637 4.050 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016763 WUKLCKJFJOJWFV-QHCPKHFHSA-N 496.567 4.035 10 10 JICE COc1ccc(Br)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865981317 PAFQLDHQOFNPIC-NRFANRHFSA-N 460.416 4.481 10 10 JICE CCCCCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678511 ZXQWYPWAEVJFQT-UHFFFAOYSA-N 484.685 4.090 10 10 JICE Cc1c(C(F)(F)F)nn(Cc2ccc(Br)cc2O)c1I 2079824544 AOENTCIWOLZVOB-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cccc(I)c1 2194916249 NUXIHQXHSXVLLL-IBGZPJMESA-N 481.378 4.452 10 10 JICE CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2294106418 NVXDSRYRJPNFMB-UHFFFAOYSA-N 486.311 4.178 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCCC(=O)O 2314934325 GZRXTUGQVVHUNF-UHFFFAOYSA-N 473.528 4.073 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2257605 BJDNFZXDPSSIRK-WOJGMQOQSA-N 474.652 4.087 10 10 JICE COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NCCN4CCN(C)CC4)cc2)CCCCC3)c1 33114820 DSDOSKWTUWLRMU-UHFFFAOYSA-N 486.660 4.399 10 10 JICE Cc1[nH]c2ccccc2c1/C=C\c1nc2ccc(I)cc2c(=O)n1CCCO 33386853 XBOCAQGJOBUZCJ-NTMALXAHSA-N 485.325 4.344 10 10 JICE CN(C)c1ccc(CN2CCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)cc1 34682037 NWCRSIPYAMITBT-UHFFFAOYSA-N 466.536 4.392 10 10 JICE Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)ccc1Br 59859742 PEUUZDMDNWKZLR-QGOAFFKASA-N 470.323 4.101 10 10 JICE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(=O)N1CCOCC1 1705786271 KFESEINLWIBKEO-UHFFFAOYSA-N 490.652 4.250 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860761548 YCUFWFIBBBRTMJ-UHFFFAOYSA-N 480.542 4.080 10 10 JICE CCCC[C@H](NC(=O)c1ccc(OCCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862064138 BYYQZQQKHODPCO-VWLOTQADSA-N 467.610 4.121 10 10 JICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864007727 SRGVKLCXQQJPTG-VWLOTQADSA-N 496.567 4.220 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019324 ISXUBUGDSOSSNC-NRFANRHFSA-N 494.979 4.253 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCCOc4ccccc4)cc3)CC2)cc1 1872719819 BIDYTIDCXFGPEV-UHFFFAOYSA-N 496.629 4.444 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(F)c(Cl)c3)n4C)CC2)cc1 1873650862 ZIKKAONCBLNXBO-UHFFFAOYSA-N 494.958 4.348 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 2293152714 VLWXDVLKTZJCCX-UHFFFAOYSA-N 458.514 4.313 10 10 JICE Cc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 2293374317 LKNUJRHMEYTEIH-UHFFFAOYSA-N 456.498 4.428 10 10 JICE CCCCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O 2295872364 ORYZILOQQISOSS-UHFFFAOYSA-N 493.560 4.275 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c1 2296606546 PXBRUFKBALWIFS-UHFFFAOYSA-N 463.471 4.085 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314400624 OMFLJBSTRMAYOV-UHFFFAOYSA-N 468.648 4.383 10 10 JICE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S)C(=O)O 2314837790 WTMLIMXOWKHPBP-OAHLLOKOSA-N 462.637 4.335 10 10 JICE Cc1cc(C)cc(NC(=O)c2sc3nc4n(c(=O)c3c2C)N=C(c2ccc(O)c(O)c2)CS4)c1 9475156 BPOZEMJGQJXQRQ-UHFFFAOYSA-N 492.582 4.405 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(SC)cc1 33248382 BQFZTNWEOFCOOG-XSFVSMFZSA-N 453.560 4.341 10 10 JICE Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33382732 RYDTWHXBSQGJRC-CPNJWEJPSA-N 456.637 4.090 10 10 JICE COc1ccc(N2CCN(c3ncnc(N4CCC(Cc5ccccc5)CC4)c3[N+](=O)[O-])CC2)cc1 40611128 OSSJYAKSJOOITD-UHFFFAOYSA-N 488.592 4.179 10 10 JICE CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)CN1CC(c1ccccc1)c1ccccc1 299771405 WKYGGJWLRFXRKL-VPUSJEBWSA-N 457.618 4.114 10 10 JICE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(Cl)ccc1OC 586257771 SCAPFJHQFBEVGE-UHFFFAOYSA-N 455.919 4.339 10 10 JICE CCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861927779 BGDOBMGEWWJUOV-NRFANRHFSA-N 464.393 4.249 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864013988 KQWVZHFAKYEZRJ-NRFANRHFSA-N 496.995 4.321 10 10 JICE CC(=O)O[C@H]1[C@H](N2CCCCC2)c2c(ccc(C=CC(=O)N3CCCCC3)c2O)OC1(C)C 2295103347 FRDWBYRDTKNHAO-NOZRDPDXSA-N 456.583 4.048 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc1OC 2314831380 JTZLNYNTMMCNSD-UHFFFAOYSA-N 456.589 4.002 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3F)c3ccccc23)SC1=S 2326945244 YBLILDLXARJKAC-UHFFFAOYSA-N 497.573 4.485 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)c1 33334201 NKLRQJMMYCKASZ-HAHDFKILSA-N 487.581 4.363 10 10 JICE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33770898 XBCGNQRWLOHYOZ-FNKNWIJASA-N 469.526 4.207 10 10 JICE C[C@@H]1CN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586663880 OQJVRAMJAYLOBJ-IAGOWNOFSA-N 483.524 4.355 10 10 JICE CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2ccc(N3CCN(C)CC3)cc2)cs1 1621047891 IQKGUGSDPKGSGN-UHFFFAOYSA-N 453.587 4.008 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc(C)cc3)c3ccccc3)CC2)cc1 1861944192 XMTOSCZCVHYVLW-OFMVJSOZSA-N 469.585 4.223 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016614 UFPSYIHODRSTMQ-JOCHJYFZSA-N 488.588 4.422 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3c[nH]c4ccccc34)c3ccccc3)CC2)cc1 1868585602 RLESMRNOECCQRZ-GDLZYMKVSA-N 496.611 4.315 10 10 JICE Cc1ccc(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166168 FHNLIKOZWGLFPI-RUZDIDTESA-N 469.585 4.451 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(C3CCCCC3)C2=O)cc1 1873170837 SRKUFWRDLYVVRY-UHFFFAOYSA-N 460.622 4.191 10 10 JICE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421094 GJZYQLRPOOOCHH-UHFFFAOYSA-N 470.573 4.050 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873554714 VHCFQTGVCOHKEI-NRFANRHFSA-N 490.652 4.439 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C 2294093872 ZFVCSRGGEVLYKF-UHFFFAOYSA-N 471.469 4.457 10 10 JICE COc1ccccc1NC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296754843 HMWXMQBDFUXVOG-UHFFFAOYSA-N 463.378 4.298 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl 2296932836 PVTUEJJIMGXRDX-UHFFFAOYSA-N 462.731 4.143 10 10 JICE COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C 2297321617 OAADZQXMONRPBQ-UHFFFAOYSA-N 482.606 4.205 10 10 JICE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297366615 PSLFNVMOXSXPHM-UHFFFAOYSA-N 457.305 4.129 10 10 JICE COc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)SC2=S)cc1 2297561437 BNJJVGPDAATDQX-UHFFFAOYSA-N 458.561 4.037 10 10 JICE CC(=O)c1ccc(NC(=O)/C=C(/C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 71538400 WXQXDLKCUIVPDA-SQFISAMPSA-N 452.466 4.188 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526380876 CCMABGUEHPPVKJ-XMMPIXPASA-N 479.485 4.189 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)c2)CC1 1523225956 ZWUJMPNZFGUGIA-UHFFFAOYSA-N 459.506 4.259 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)[C@@H](C)C(=O)N2 1859573909 GWGCBCDGYJWYGB-SECBINFHSA-N 462.484 4.022 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864013319 VUIUJTGZCCOITR-QHCPKHFHSA-N 490.604 4.296 10 10 JICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865029174 HSVNARPPXNWVMC-LXTALYMZSA-N 494.636 4.381 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(Cl)cccc3c2=O)N2CCCCC2)cc1 1866073033 YEOOJLBJLQOJMS-QFIPXVFZSA-N 452.986 4.205 10 10 JICE COC(=O)c1c(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(C)cc1 1866112491 YGCORFNSYLQFFS-HXUWFJFHSA-N 466.559 4.210 10 10 JICE COC(=O)c1c(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1 1866215566 DHTIGNWTZGEPTH-UHFFFAOYSA-N 476.554 4.372 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3ccc4ccccc4c3n2)c2nccn2C)cc1 1866513901 WBHLJXDIBQCIMG-DEOSSOPVSA-N 451.530 4.413 10 10 JICE CC[C@](C)(NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385886 COUSLTIRVZLBRN-LSYYVWMOSA-N 480.653 4.003 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 2293420463 APZFQOFLTWJPLF-UHFFFAOYSA-N 458.514 4.313 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1OC 2297554727 VQXIIBMPKRPTJC-UHFFFAOYSA-N 470.616 4.044 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314414013 NNEQDDYXUCMGDY-UHFFFAOYSA-N 480.615 4.317 10 10 JICE COc1ccc(N2CCN(C(=O)COc3cccc(-c4nc(-c5ccc(C)cc5)no4)c3)CC2)cc1 33012371 CAOOTBCROKCXGS-UHFFFAOYSA-N 484.556 4.448 10 10 JICE Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2ccc(N(C)C)cc2)cc1 35559364 QPVFJVRTBMASPY-AREMUKBSSA-N 477.630 4.056 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413174 OOWUMMGRQLBQAA-RTBURBONSA-N 456.955 4.030 10 10 JICE CCCCS(=O)(=O)N(Cc1c(C)noc1C)c1cccc2c1C(=O)c1ccccc1C2=O 586189992 WECKYDKLPKAHIR-UHFFFAOYSA-N 452.532 4.203 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)nc(-c2ccc(Cl)cc2)[nH]1 1859707622 WJJQKRWFRVPXRD-UHFFFAOYSA-N 455.857 4.118 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cccc21 1860597766 IRMNTFROBUVKBW-UHFFFAOYSA-N 474.463 4.231 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc(C)c1-c1ccc(F)cc1 1860758106 BCYBDZFSTRDMJQ-UHFFFAOYSA-N 454.523 4.337 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc(Br)c1O 1860825059 LGLGBVGFOBIZOQ-OVCLIPMQSA-N 480.361 4.263 10 10 JICE COc1ccc(/C=C/C(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1OC 1860839358 QEOWIWXWXWJZFD-RVDMUPIBSA-N 459.546 4.352 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862119617 RWIZUOCURVTUEY-MHZLTWQESA-N 469.585 4.316 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864009978 HJXGDRFXOGZBJI-OPAMFIHVSA-N 476.577 4.154 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864022135 UKAIKRHMZLGZQO-KSFYIVLOSA-N 476.577 4.085 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccc(F)cc1 1865679434 NENUNCPFUKCTJZ-NDENLUEZSA-N 459.433 4.335 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 1867957531 BDZISMPFEYZULC-UHFFFAOYSA-N 493.055 4.354 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCCc3ccccc3C)CC2)cc1 1868953121 ZACZRSPRTDGCTI-LJAQVGFWSA-N 499.655 4.403 10 10 JICE CNC(=O)COc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871018547 ZSWALERYBIQTRI-UHFFFAOYSA-N 484.556 4.083 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccccc5[N+](=O)[O-])[nH]c4c3)CC2)cc1 1872798107 JVYHYGYWXBIPMW-UHFFFAOYSA-N 471.517 4.033 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCCC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163170362 WAWXRSNIWZPHRK-UHFFFAOYSA-N 472.630 4.399 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 2294216892 MRTJLOWUVOCLGU-UHFFFAOYSA-N 477.498 4.312 10 10 JICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2297329032 IUKJTGONGAOATB-UHFFFAOYSA-N 497.718 4.255 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 2297533238 QPIHIWQUGPTJFZ-UHFFFAOYSA-N 461.858 4.079 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414534 BSFOOVOVWJFOPV-KRWDZBQOSA-N 486.663 4.375 10 10 JICE COCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)C(C(=O)OC)=C1C 2817000 FKHFTWUVJFWYLW-DEDYPNTBSA-N 472.969 4.465 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4C)c3C3CCNCC3)CC2)cc1 9227482 RORINXYERMSYCE-UHFFFAOYSA-N 494.039 4.272 10 10 JICE Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1 33247517 IXFPPFLKWVPYBB-MLPAPPSSSA-N 460.240 4.186 10 10 JICE CCOc1ccc(Nc2oc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)nc2C#N)cc1 33897973 PPOUIZADNUDLRD-HAKPAVFJSA-N 456.549 4.069 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(Cl)ccc3OC)c3ccco3)CC2)cc1 38598192 REVBZIOEQQXPBS-JOCHJYFZSA-N 469.969 4.244 10 10 JICE CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 54421836 RQEASRVVDNPION-ISKFKSNPSA-N 476.614 4.045 10 10 JICE O=C1[C@H](CN2CCCCC2)SC(=S)N1c1cc(Br)cc(Br)c1 59397297 DWNVPOIVTZQRNI-ZDUSSCGKSA-N 464.248 4.431 10 10 JICE COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1Cl 65096312 OTTNYCIUVWTFII-UHFFFAOYSA-N 450.919 4.267 10 10 JICE O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nccs1 211947368 ZODVQPBRLVBXRR-MHWRWJLKSA-N 457.558 4.155 10 10 JICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)c1 1864012122 RQVOTTKCXGFIDT-DEOSSOPVSA-N 490.604 4.125 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029747 ULYHWTBZJIJFEH-OAQYLSRUSA-N 496.995 4.452 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873166417 PBNKBQYDPQZZAJ-UHFFFAOYSA-N 457.574 4.423 10 10 JICE CN(C)Cc1cc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1952277205 NUUBTPUZSYZOLW-MHZLTWQESA-N 460.530 4.292 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2080000084 OXKYKPGVHDANPR-KRWDZBQOSA-N 468.291 4.167 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 2293344007 IKWDCEKQJAOHJR-UHFFFAOYSA-N 464.547 4.491 10 10 JICE CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)C(C(=O)OC)=C1C 2313499104 LOHSTECCLLNOCM-UHFFFAOYSA-N 454.910 4.050 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2314414562 CNQVNJHDKRLTGS-UHFFFAOYSA-N 450.589 4.226 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314831179 FDQTWOZETZHRNM-UHFFFAOYSA-N 470.572 4.189 10 10 JICE CC(C)OC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945409 MKLQPXZKYHKSHU-AWEZNQCLSA-N 460.577 4.220 10 10 JICE CCc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)s1 39793595 XQQIFOFXNKHJCG-YBEGLDIGSA-N 486.600 4.112 10 10 JICE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3sc4c(c3C#N)CCCC4)cc2)SC1=S 211923625 XTSVSRHKUSGDOV-VCHYOVAHSA-N 469.613 4.347 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)c2nccn2C)cc1 1865976030 SZQPGOLYDYUQLL-HXUWFJFHSA-N 452.356 4.249 10 10 JICE CCCN(CCCN(C)C)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C)n1 1868481147 KSUAGUGWRJJKTN-UHFFFAOYSA-N 457.578 4.472 10 10 JICE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868700434 QESTXUYOTUUTFQ-DQEYMECFSA-N 469.601 4.208 10 10 JICE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873167152 URZMNYIBEOIQJC-UHFFFAOYSA-N 476.621 4.013 10 10 JICE COc1ccc(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167203 WGYMYCMRUIYDJZ-UHFFFAOYSA-N 473.573 4.389 10 10 JICE Oc1ccc(F)cc1Cn1nc(I)c(Br)c1C(F)(F)F 2079183698 ZZHKWXASISOMTG-UHFFFAOYSA-N 464.982 4.162 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079874794 KMZIMJJDOUTBMZ-AWEZNQCLSA-N 492.260 4.316 10 10 JICE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136252308 BLIPEWRRCCCLSZ-UWJYYQICSA-N 454.567 4.361 10 10 JICE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccc(OC)cc2)SC1=S 2297335692 WYHSDDWHUJCOFA-UHFFFAOYSA-N 460.533 4.282 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Br)cc1 2297347544 GMHDMJRFZYGODT-UHFFFAOYSA-N 498.333 4.366 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=O)O 2314931635 PZAWGPRMPMCUHT-INIZCTEOSA-N 459.505 4.065 10 10 JICE CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C)c(Br)c1O 2380789867 MVPWYLHYRUVGRE-CQSZACIVSA-N 461.422 4.068 10 10 JICE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15046835 PFRRHHXDSYQNQE-VBYYMIJXSA-N 493.404 4.392 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 20681412 DAUSAVXFFABPLT-YPCDYVTLSA-N 462.571 4.445 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(-c4ccccc4)on3)c3ccco3)CC2)cc1 38598194 LXEVHCSCCRDEIA-XMMPIXPASA-N 472.545 4.237 10 10 JICE CC1CCN(C(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)CC1 39793802 AZDGYOIXOGIECT-MOSHPQCFSA-N 456.589 4.318 10 10 JICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989719 HQJLEPJEMQDNRS-DKNZLLBESA-N 470.664 4.428 10 10 JICE COc1ccc(N2CCN(c3ncnc(Oc4ccc(Br)cc4)c3[N+](=O)[O-])CC2)cc1 40611297 NZCLSBWQHYQDPD-UHFFFAOYSA-N 486.326 4.275 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 102861385 QRZICEPPPWMPQQ-XMHGGMMESA-N 480.615 4.317 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 108957132 CYDYCQWEZBNCPV-YBEGLDIGSA-N 458.268 4.340 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)c1OC 526613483 JBEDEJVQWYCQMI-HSZRJFAPSA-N 461.470 4.375 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862148251 OZQCWYMLZIWUQO-JGMOMGQESA-N 475.633 4.346 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865035247 PCUPMTMGDGFXRD-QHCPKHFHSA-N 488.588 4.187 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3ccc(C(C)(C)C)cc3[nH]2)c2nccn2C)cc1 1866518393 GDBAJYGUGADVFA-DEOSSOPVSA-N 457.578 4.145 10 10 JICE CC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867113099 KQHAXKOPGDXGGD-GAJHUEQPSA-N 484.552 4.498 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869099703 AUDOHFRFZYPAPD-AREMUKBSSA-N 486.664 4.428 10 10 JICE Cc1ccc(O)c(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873878121 DTKIANLTAIRNJP-UHFFFAOYSA-N 450.498 4.227 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-n2ncc3ccccc3c2=O)cc1 1874179841 RPMPXNXDISELSI-UHFFFAOYSA-N 471.472 4.413 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 1891344622 PPJBZJCDTNJOKP-SPEDKVCISA-N 468.395 4.107 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(I)ccc2O)C1 1952447348 FQVXZMVFGZSKJE-PBHICJAKSA-N 481.286 4.171 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079137979 FNLLLFNJLMVVFJ-KRWDZBQOSA-N 453.324 4.114 10 10 JICE CN1CCCc2cc([C@@H](O)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106827562 DXXQWYDANDZRLG-SQHAQQRYSA-N 451.611 4.272 10 10 JICE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106884626 CRAUYDXTNPKAPM-IAGOWNOFSA-N 460.619 4.302 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CCN(C(=O)OC(C)(C)C)[C@H]4C3)ccc(N)c2C1 2163164851 KIFUNLDSDGCWOQ-VGSWGCGISA-N 472.630 4.398 10 10 JICE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836219 BNPQQRCRYYIAGJ-NSHDSACASA-N 475.419 4.344 10 10 JICE CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C1=O 9265500 NKHBTVCRSUHUPP-ZHZULCJRSA-N 487.512 4.166 10 10 JICE O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14461265 MHIZRKNXZNZECY-GSHUGGBRSA-N 455.352 4.454 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 20356359 SZLLSVUSAMTEFU-ZQMBLQFGSA-N 452.971 4.420 10 10 JICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 33469492 VIGKVZWBKAMYPY-XDHOZWIPSA-N 468.604 4.033 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 39723630 ZNTTUZNBTAFLCH-UDWIEESQSA-N 494.642 4.481 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 102465074 NREWQSMGEMMKAH-VKXGLNTFSA-N 479.518 4.472 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 226728122 XXZXFYUVCGZXTD-YVHKJVDXSA-N 494.444 4.462 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526468042 VYNJTUFRMQZDTM-DEOSSOPVSA-N 491.496 4.349 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1 526509013 CRYDWBLFQFQXAQ-XMMPIXPASA-N 460.486 4.430 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](Cc3ccccc3)c3ccccc3)cc2)CC1 1466881837 FFVHDYCZIUONDX-MHZLTWQESA-N 455.602 4.388 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCCC5)CC2)cc1 1860253301 HENDRLIMYQKADD-IBGZPJMESA-N 476.573 4.105 10 10 JICE CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3ccc(O)c(O)c3)c(Cl)cc12 1860264288 QDQFEYOZYWUNBN-AWEZNQCLSA-N 459.926 4.326 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028171 RCBYFZRUIGAQQO-QFIPXVFZSA-N 494.979 4.198 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032615 HBELZXZQCGBTOL-OAQYLSRUSA-N 494.979 4.206 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679504 QJLHGGZZQMQEMY-UDWIEESQSA-N 489.459 4.344 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(F)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970228 FZJBFIMOZGTXHW-VGOFMYFVSA-N 478.572 4.159 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](CNCc2ccc(Br)cc2O)(C(F)(F)F)C1 2167674119 KXPFWCUOYDJQGP-KRWDZBQOSA-N 453.299 4.434 10 10 JICE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 2294092674 KIPNZLGYCAJEDU-UHFFFAOYSA-N 493.903 4.151 10 10 JICE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 2294093866 YHTWBIAGZUJOKU-UHFFFAOYSA-N 495.285 4.382 10 10 JICE CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2296936475 VXMPYVYCBDZFPG-UHFFFAOYSA-N 462.497 4.295 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314842169 CZKRILTWBUSBKY-UHFFFAOYSA-N 463.378 4.303 10 10 JICE CCOC(=O)[C@@H]1CCCN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 4128291 QAHDWZXCTKMXLH-OAHLLOKOSA-N 477.517 4.095 10 10 JICE Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2)no1 40884100 MNSPQGCLXOYRDI-UHFFFAOYSA-N 489.509 4.102 10 10 JICE Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2cccc4nsnc24)n(C)c(=O)n3C)cc1 45941124 IBWKHGMFSMKFFO-UHFFFAOYSA-N 497.627 4.142 10 10 JICE CC1=CC(C)(C)N2C(=O)/C(=C3/SC(=S)NC3=O)c3cc(OC(=O)c4cccs4)cc1c32 95926146 PNLPIIROUAMZCB-BMRADRMJSA-N 468.581 4.368 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCCC(=O)O 210464018 BYFMGJSXADORGG-UYRXBGFRSA-N 459.545 4.353 10 10 JICE CCOc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 210902176 GDAQYLFUTGUPJF-RQZCQDPDSA-N 465.453 4.051 10 10 JICE CCN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)NC1=S 1084233983 AEWQRLOLDWJVHV-JXAWBTAJSA-N 467.978 4.410 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 1860750761 QZPHDQUPRQBXKW-UHFFFAOYSA-N 498.557 4.422 10 10 JICE CSCC[C@@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987626 XTDJXCFPFJLYOQ-QFIPXVFZSA-N 461.543 4.418 10 10 JICE CCN(CC)c1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866559498 FJRWLQJQZPHKEH-MHZLTWQESA-N 489.664 4.397 10 10 JICE CC(C)[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866965759 OHQCKXCVSLMFJI-HJPURHCSSA-N 472.516 4.484 10 10 JICE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)cc1 1869969938 AWPMWXJAZMQWMI-UHFFFAOYSA-N 468.989 4.385 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873169924 IESJOIMXQGIOAB-UHFFFAOYSA-N 463.603 4.452 10 10 JICE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881311240 XQKOYYGMPMONQV-CTNGQTDRSA-N 462.635 4.095 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079006909 KBXOWUODRMPOIW-GOSISDBHSA-N 465.335 4.258 10 10 JICE COc1ccc([C@@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2080025839 SKIFMDUUHDNXSK-QGZVFWFLSA-N 456.324 4.207 10 10 JICE CCOC(=O)[C@@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945328 UTHUOIDLLKQEDS-MRXNPFEDSA-N 460.577 4.222 10 10 JICE CCn1cnc2sc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1=O 2921651 HSNLMXNAMXJLIR-UHFFFAOYSA-N 450.564 4.288 10 10 JICE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 11085604 AGOAQBXDPXAOMG-UHFFFAOYSA-N 484.526 4.459 10 10 JICE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21 14545749 RQTHEVPAIGPIBW-DMEDLEQBSA-N 454.592 4.369 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(OC)cc1 20236505 DKBCFUIWZAECCL-ZKZSMLQKSA-N 477.517 4.392 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 33910766 FLANDCBUIPVYIQ-XSFVSMFZSA-N 494.642 4.215 10 10 JICE Cc1cccc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732795 YEWAQASRYKJITN-ZHZULCJRSA-N 480.659 4.389 10 10 JICE CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\SC(=S)N(CCN(C)C)C2=O)cs1 96935941 BCEFVHMRLHCHJQ-YBEGLDIGSA-N 467.041 4.244 10 10 JICE O=C1/C(=C/C=C\c2ccco2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 1081156951 YOMNDWYXOTZKDL-ZWDYAJDZSA-N 475.598 4.499 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(Oc5ccccc5)cc4)C3=O)CC2)cc1 1858109632 MZESAZRVUFLDQJ-SANMLTNESA-N 471.557 4.189 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(CC)cc1)=C(N)O2 1864014415 UPVVBKAQIQAUOM-MWTRTKDXSA-N 490.604 4.401 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019182 HPHLNMJKDZWOJN-QHCPKHFHSA-N 490.604 4.214 10 10 JICE CCCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870655443 VZJRRNBFRYYTOW-UHFFFAOYSA-N 491.632 4.219 10 10 JICE CC[C@H](C)NC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962787 QZOZZRZAKWHZGX-NRFANRHFSA-N 491.636 4.059 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCOc1ccccc1 1873897984 FTWPIUMVSMJXSP-UHFFFAOYSA-N 478.552 4.160 10 10 JICE C[C@@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1877572040 ZQESBBKTTZTHBR-BCHFMIIMSA-N 454.567 4.413 10 10 JICE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)c(O)c1 2079046618 BUARLJIJGIFTIO-CQSZACIVSA-N 465.257 4.369 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079876878 POMOOFLNDXNYII-CQSZACIVSA-N 478.233 4.227 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296166927 GTPQHJNIDBJYFH-UHFFFAOYSA-N 484.497 4.236 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OCc1c(F)cccc1Cl 2297351144 ZFJWRVUMCZEFJC-UHFFFAOYSA-N 467.927 4.353 10 10 JICE COc1ccc2[nH]c(CCNC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)cc2c1 2297580005 GJQHVQHMTSFAIY-UHFFFAOYSA-N 471.629 4.188 10 10 JICE CCC(=CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329538790 IQJLMNVWSHPGTH-QGZVFWFLSA-N 482.536 4.407 10 10 JICE CCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106567 HYGOVIKSESPWRB-UHFFFAOYSA-N 469.969 4.256 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 15040458 YSLLVELBAHTQIE-SSZFMOIBSA-N 455.001 4.083 10 10 JICE COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)cc1 20071415 UQCGEOSXXJDKNG-SQJMNOBHSA-N 460.486 4.438 10 10 JICE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990061 WCTIETIYVMVQFH-VUQQOUJSSA-N 458.653 4.284 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)ccc1O 96834050 GPPCSOUHOUZFKD-LICLKQGHSA-N 458.308 4.431 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCC(=O)O 210458028 IYDDAFPUHFJOIF-GRSHGNNSSA-N 457.529 4.157 10 10 JICE Cc1ccc(S(=O)(=O)N(CCCC(=O)O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C 586211827 PLUQDRADLFZSOM-UHFFFAOYSA-N 477.538 4.139 10 10 JICE O=C(NC[C@@H]1CCCO1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586623022 GDPCBFNOWARJGH-IBGZPJMESA-N 469.497 4.015 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 727430559 JVLNUPKLCPICMS-RUZDIDTESA-N 498.023 4.028 10 10 JICE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)(F)F)CC1 1705776717 NSUBGFVEZBKYBE-UHFFFAOYSA-N 486.542 4.434 10 10 JICE CCc1ccc(OCCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826572 IATRULWMRRBJQU-DQRAZIAOSA-N 496.610 4.111 10 10 JICE COCCCN1[C@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C)n2)C[C@H]1C 1868480442 AOJKASNWJVKSAX-RTBURBONSA-N 499.615 4.240 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868936162 RTVDHZYNRHBEAK-RBBKRZOGSA-N 469.601 4.208 10 10 JICE CCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870626057 FIYAPTOBFKJXBI-UHFFFAOYSA-N 461.606 4.477 10 10 JICE CCOC(=O)CCOc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870877873 UQFJYGRJFCDDCI-UHFFFAOYSA-N 478.593 4.098 10 10 JICE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422143 IDUYIRKOFLITCM-UHFFFAOYSA-N 455.514 4.235 10 10 JICE Cc1c(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)oc2cc(O)ccc12 1874179677 KNMGDYJQUBOXDQ-UHFFFAOYSA-N 453.450 4.154 10 10 JICE CCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875200927 MVQUKUQDBROGTH-UHFFFAOYSA-N 464.614 4.414 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 2294093840 VZMWRVCIJRDDSZ-UHFFFAOYSA-N 461.430 4.228 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314415176 ZYQOKLULUGOBSP-UHFFFAOYSA-N 456.637 4.385 10 10 JICE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OC 2314766563 AVQVTSVNGUFLQU-MRXNPFEDSA-N 494.388 4.493 10 10 JICE CCc1ccc(OCCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944910 IATRULWMRRBJQU-UHFFFAOYSA-N 496.610 4.111 10 10 JICE CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)NC1=S 6178365 WUTGGVIFYDKIAO-MHWRWJLKSA-N 462.325 4.014 10 10 JICE COCCCN1C(=O)/C(=C\c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34736638 PHSRTIKWDYPMME-AWZALFRUSA-N 494.642 4.414 10 10 JICE COc1ccc(N2CCN(c3c4c(nc5nc(Cc6ccc(C)cc6)nn35)CCCC4)CC2)cc1 64592850 VKLMYQFFNSTGQX-UHFFFAOYSA-N 468.605 4.238 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1Br 96468584 MWANFPLBLWCDAV-IGRDZFBRSA-N 498.333 4.366 10 10 JICE O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NCc1ccc(N2CCOCC2)cc1 108875695 MCGCSCKPROXYKT-JLHYYAGUSA-N 479.584 4.160 10 10 JICE O=C(NCc1ccc(N2CCSCC2)cc1)C1CCN(c2nc3ccccc3s2)CC1 727372810 ICODLJDSYIBLHS-UHFFFAOYSA-N 452.649 4.382 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861961967 HSQLGQDETOVAGV-CYBMUJFWSA-N 470.784 4.123 10 10 JICE CCC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571305 NOUOSBMWVBTWPS-HXUWFJFHSA-N 475.570 4.001 10 10 JICE CC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867113101 KQHAXKOPGDXGGD-SBUREZEXSA-N 484.552 4.498 10 10 JICE CC[C@@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867113102 KQHAXKOPGDXGGD-UZUQRXQVSA-N 484.552 4.498 10 10 JICE CCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868585335 NQWARLNYZYDJCE-SANMLTNESA-N 476.621 4.133 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(C4CC4)[C@@H]3c3ccccc3)cccc21 1874179172 RSSYXOXGUOVHQO-PXDATVDWSA-N 450.494 4.153 10 10 JICE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)c(O)c1 2079025888 RLLWQGKKHBTJBJ-QGZVFWFLSA-N 451.352 4.401 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2294095464 RRHCWOKMIIRTSK-UHFFFAOYSA-N 481.258 4.074 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2295924252 JOINBOWICHGWPZ-UHFFFAOYSA-N 457.533 4.229 10 10 JICE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1CCc1ccccc1 2297349361 CQIVSMRJPVADBH-UHFFFAOYSA-N 467.353 4.441 10 10 JICE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 2297350987 XHAOSTWRFVZKSV-UHFFFAOYSA-N 490.899 4.372 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2ccccc2)cc1 2313682808 LEZDWYMJDKAFRN-UHFFFAOYSA-N 456.502 4.461 10 10 JICE CCOc1ccccc1NC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 2313682837 LRKFYPUQWQFFIA-UHFFFAOYSA-N 450.520 4.347 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1)C(=O)O 2314932858 ZVFXNPPASVRXBP-GOSISDBHSA-N 487.599 4.390 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nc(-c5ccccc5)no4)sc3C)CC2)cc1 46141281 XUHFQXPNMFUQED-UHFFFAOYSA-N 496.614 4.293 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310948 SBTJUNDSHIQLQY-URXFXBBRSA-N 472.651 4.133 10 10 JICE O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccccc1 59336672 ADVYVLAVBRUMJW-HMAPJEAMSA-N 482.471 4.086 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N12 104372793 OBDVHIVBUSNPLF-AQECLBTLSA-N 466.544 4.244 10 10 JICE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705717341 IFTWASZZKKQUNW-DEOSSOPVSA-N 453.631 4.179 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2CCC(=O)O)cc1 1858034901 IMXIURQXZYPHSC-UHFFFAOYSA-N 452.941 4.290 10 10 JICE C[C@@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)C1 1860347276 HABDIEJXCCTINP-XHCCPWGMSA-N 456.590 4.437 10 10 JICE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccc([N+](=O)[O-])cc1 1860563111 MCTJYRHDTXBKSN-UHFFFAOYSA-N 492.447 4.270 10 10 JICE CCCC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868611566 AAQSYWODVHJRPP-SANMLTNESA-N 474.605 4.123 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(CCOc5ccccc5)[nH]c4c3)CC2)cc1 1872798270 RNRPJISMDXLFPE-UHFFFAOYSA-N 456.546 4.155 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2080052272 KXDWUEREPXDMDA-QGZVFWFLSA-N 467.351 4.102 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2294133786 KITJQTFKMXJQHK-UHFFFAOYSA-N 463.877 4.112 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2294259252 XPFJAYRWCZKAOH-UHFFFAOYSA-N 458.381 4.127 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2296851526 PMKQLFJUHRKBFI-UHFFFAOYSA-N 455.536 4.483 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2296885180 HJIQZYMJLJJHQY-GFCCVEGCSA-N 472.327 4.383 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCCC3)nc12 2314414717 JYBDCMUAFWERPL-UHFFFAOYSA-N 476.627 4.395 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314769669 UAPQVQQKPQPSTE-SFHVURJKSA-N 488.543 4.205 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)C(C)=O 2314926290 FSTQZRANNBRZAM-KRWDZBQOSA-N 485.539 4.235 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)C(C)=O 2314926291 FSTQZRANNBRZAM-QGZVFWFLSA-N 485.539 4.235 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccccc3Br)SC2=S)CC1 2323858246 WSUUSZXJJJNFEI-UHFFFAOYSA-N 455.399 4.271 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 2329488630 VCFTYZABMKFZEI-HHHXNRCGSA-N 463.622 4.151 10 10 JICE O=C(NCc1ccccn1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586626164 WCOYQEYDOINBNM-UHFFFAOYSA-N 476.492 4.431 10 10 JICE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccccc1 1082769999 UQGVXBXRCRTBDQ-PXLXIMEGSA-N 456.527 4.323 10 10 JICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084556017 DTQOTIYGOHZLBC-AREMUKBSSA-N 497.620 4.018 10 10 JICE CCCC[C@@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862147190 OKTKSGBCJKIAOA-USXRGHEGSA-N 470.013 4.386 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032696 ILQJXQREWXVKEV-FQEVSTJZSA-N 482.968 4.062 10 10 JICE COCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870908497 ZWMYXCHYCMAPFN-UHFFFAOYSA-N 465.550 4.181 10 10 JICE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422135 HXYZLSIKUZNWHV-UHFFFAOYSA-N 472.501 4.365 10 10 JICE COc1ccccc1-n1c(C)cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1C 1873838745 ZNFNHXDZMIBXMP-UHFFFAOYSA-N 493.604 4.087 10 10 JICE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106880414 JCWFHROTMUVRSL-DLBZAZTESA-N 460.619 4.302 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1ccc(I)cc1 2194916602 OYZHJNPBANFMJN-LJQANCHMSA-N 481.378 4.452 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNCc2cc(Cl)cc(Br)c2O)C1 2289920599 KCSUUMRWDVGJRH-OAHLLOKOSA-N 463.800 4.314 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2296846500 RVCHYINPONAXOP-QGZVFWFLSA-N 486.663 4.010 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 2313682966 OQXBYBNGVLYYOB-UHFFFAOYSA-N 480.952 4.202 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc(Cl)cc1 20287237 CDBIXWDAZVWUIF-DEDYPNTBSA-N 454.939 4.279 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccccc3-c3nnc(-c4ccccc4)o3)CC2)cc1 21154055 IEGSEYQLIMJHCN-UHFFFAOYSA-N 470.529 4.140 10 10 JICE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33780937 FQJJYNDKMMTSQH-WOJGMQOQSA-N 466.588 4.352 10 10 JICE CSC1=NN2C(=N)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 102464988 UOVLIXATTSTFFW-UTXWOTMXSA-N 475.555 4.358 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1O 1197589465 LBKWOVSTAQTMFF-CZUORRHYSA-N 450.885 4.383 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)c(-c4ccc(F)cc4)s3)cc2)CC1 1466882238 JCDRVHVFQDKDRL-UHFFFAOYSA-N 451.567 4.461 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)ccc1OC 1860087517 CTIBSJDUKWCKPM-RCCKNPSSSA-N 456.589 4.336 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861904665 FPQNBPOPQPDDEH-XMMPIXPASA-N 475.614 4.021 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864011590 VZQAIGDHUXPURX-SPLOXXLWSA-N 496.995 4.499 10 10 JICE CC[C@H](C(=O)N[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868839346 YTPUVTWRXBOJEJ-XZOQPEGZSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCCCCO)CC2)cc1 1870612969 MAUQFGQQAVSNMJ-UHFFFAOYSA-N 483.653 4.077 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873163872 AHQWUSVGFBUQLW-UHFFFAOYSA-N 497.643 4.235 10 10 JICE CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650192 KWDDCAJVBZSTBF-UHFFFAOYSA-N 488.567 4.486 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2040444313 GDWJBLZVPDECHM-UHFFFAOYSA-N 468.478 4.220 10 10 JICE CCN(CC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498024 AFURGWWEBKSSSW-UHFFFAOYSA-N 478.643 4.375 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048707 WOAVXNPHRJVMGL-QGZVFWFLSA-N 466.319 4.455 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2163172011 LZMSSNKKUMQRSC-UWJYYQICSA-N 472.630 4.398 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)c([N+](=O)[O-])c1 2294092736 UJGLNBBGJSGQTJ-UHFFFAOYSA-N 488.500 4.294 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 2294095263 MKDKEOQAOFOPFG-UHFFFAOYSA-N 486.480 4.029 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 2297298489 WLIQXSOLWPSWAY-UHFFFAOYSA-N 471.513 4.246 10 10 JICE CCOc1cc(C=C2N=C(C3=S=CC=C3)OC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 2297624497 XVOCTIJETVUCAQ-UHFFFAOYSA-N 450.472 4.146 10 10 JICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314740007 DBLIXGRZMBUQFM-UHFFFAOYSA-N 474.398 4.098 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn([C@H](C(=O)O)c3ccccc3)c3ccccc23)SC1=S 2326954735 LSNAKNGTSCTVBD-NRFANRHFSA-N 480.567 4.381 10 10 JICE Cc1ccc2c(c1)N(c1ccc(OC(F)(F)F)cc1)C=C(C(=O)N1CCCC1)S2(=O)=O 21359512 ZBOGUFNHVUWUMX-UHFFFAOYSA-N 452.454 4.283 10 10 JICE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 33314224 LNXUYGKVEXDUGD-GHVJWSGMSA-N 485.590 4.444 10 10 JICE O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33525512 ZPBRLKRYQXPPHA-SDXDJHTJSA-N 454.621 4.219 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NCc3ccco3)nc12 39983142 WEDLRISPDFETFZ-LICLKQGHSA-N 454.577 4.065 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3C)n2)cc1 727249572 BOPXKHJBDVMKEY-UHFFFAOYSA-N 483.612 4.089 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)c1C 1084199420 ARQJYAVKHFWYHW-MHWRWJLKSA-N 452.308 4.224 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C3(Sc4ccc(C)cc4)CCCC3)cc2)CC1 1616251423 DLSQELIDMSKBRH-UHFFFAOYSA-N 451.636 4.385 10 10 JICE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705509836 KGNNNICQCKYJMA-MHZLTWQESA-N 458.610 4.119 10 10 JICE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)cc2C)C1 1705917805 XYDWXZBBMGVQIL-HXUWFJFHSA-N 485.430 4.240 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC(c4ccccc4)c4ccccc4)C3)CC2)cc1 1858368140 WGNYLMPQTZCFHC-AREMUKBSSA-N 497.639 4.415 10 10 JICE CC(=O)c1sc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)nc1C 1860344723 AZXRRCHWKCWNKQ-UHFFFAOYSA-N 483.553 4.181 10 10 JICE CCc1sc(NC(=O)c2ccc(O)nn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866108474 QNGWKSKXFMLIOG-UHFFFAOYSA-N 462.325 4.275 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3[nH]2)N2CCCCC2)cc1 1866171112 BJXSPXOZIZIJMU-QHCPKHFHSA-N 497.437 4.314 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873165271 FOYOYIADNXYDGJ-UHFFFAOYSA-N 473.573 4.009 10 10 JICE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873422610 GBOIQAZATSRPSV-UHFFFAOYSA-N 457.530 4.483 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)CC2)cc1 1874755280 SXKAEUAVPKJSQC-UHFFFAOYSA-N 486.616 4.409 10 10 JICE O=C(OCc1ccccc1)N1CCC(F)(CNCc2cc(Br)ccc2O)CC1 2042861087 DEFXOYFNUMZGAY-UHFFFAOYSA-N 451.336 4.385 10 10 JICE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2074369051 WZBVWEFYKQVLNH-UYAOXDASSA-N 450.624 4.026 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2106876588 FGCALDBLQHMUPE-KRWDZBQOSA-N 460.619 4.446 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccccc1 2293449696 DCKYSKNUBQZDQZ-UHFFFAOYSA-N 490.463 4.334 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2294094929 FCIXBYWBMMVFLA-UHFFFAOYSA-N 476.920 4.372 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Br)c1 2297347649 QNUOUAXJXKRWSL-UHFFFAOYSA-N 498.333 4.366 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCCC2)c(F)c1 2297617491 TYLOPBYEPOGFJP-UHFFFAOYSA-N 474.355 4.020 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1=Cc1cccc(OC)c1OC 2313577332 AMVGETSQELWYQB-UHFFFAOYSA-N 458.308 4.344 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314415165 ZNMRWMZIRFLJIW-UHFFFAOYSA-N 456.637 4.385 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2314506825 FTXQGFFMKLVJGM-UHFFFAOYSA-N 485.562 4.254 10 10 JICE CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2cc(C)ccc2O1 9406108 UEOOACJFEFHSKC-QHCPKHFHSA-N 464.610 4.187 10 10 JICE Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 20368128 VXWVITFSEODFPM-CJFMBICVSA-N 463.603 4.295 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33516538 IEIGJJUNPUXCPS-XSFVSMFZSA-N 494.642 4.243 10 10 JICE CCN(CC)c1ccc(CN(CC(C)C)C(C)=O)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423649 NJIWPMIXZJNVFQ-UHFFFAOYSA-N 462.612 4.314 10 10 JICE CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)s1 39793600 WFTMEPAHRRIRDG-GDNBJRDFSA-N 456.574 4.200 10 10 JICE COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccc(OC)cc3)CC2)cc1 57015863 QGDJDJHPIKVYOH-UQBPGWFLSA-N 465.619 4.447 10 10 JICE CS(=O)(=O)c1nc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)c2ccccn12 109026198 QGLAKTJVQZQXEA-QHCPKHFHSA-N 471.538 4.116 10 10 JICE O=C(Cc1ccncc1)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858910490 BSFFMUIMCSKHJA-UHFFFAOYSA-N 491.503 4.327 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865031964 SESNMBMLZJXXEP-HSZRJFAPSA-N 494.551 4.172 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865032139 WLANNNXBSUTLKB-OAQYLSRUSA-N 474.561 4.078 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CCC2 1866259112 MDQHWWDKRFMKEG-ZDUSSCGKSA-N 469.588 4.323 10 10 JICE CCCC[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868769032 ZWRGYYYPYRRNJK-NLFFAJNJSA-N 469.601 4.037 10 10 JICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419546 KDRCVZDTDZZHOI-XMMPIXPASA-N 499.567 4.252 10 10 JICE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873420828 WTTLKMCWGFCFMB-UHFFFAOYSA-N 459.546 4.331 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296546310 ULXBGQGVAUPDHV-LJQANCHMSA-N 494.642 4.006 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2296849496 BNDQRTZFGJVLNL-CQSZACIVSA-N 467.572 4.495 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297499632 QUUYFIYJAARTIU-UHFFFAOYSA-N 479.949 4.232 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 2297550465 AQDKKLQKXOPFFY-UHFFFAOYSA-N 475.302 4.010 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2ccc(F)cc2)CC1 2330188828 VJHAHYYUCXPFLL-UHFFFAOYSA-N 457.550 4.281 10 10 JICE CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCCCOc1ccccc1 33774476 KTQIVXMTJHDOND-SDWZUDADSA-N 450.520 4.182 10 10 JICE CCOC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(CC)C2=O)CC1 40562548 CPCFZSGNJFPEIP-RGEXLXHISA-N 455.605 4.235 10 10 JICE CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)s1 62694781 IIHDVADNXVGQRF-UHFFFAOYSA-N 489.638 4.046 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cccc(Br)c3)C2=O)cc1C 1084211462 IQTPOLSWCWIRIF-NTEUORMPSA-N 478.140 4.495 10 10 JICE CCc1ccc(NC(C)=O)cc1NC(=O)CNCc1cc(Cl)cc(Br)c1O 1860720963 DKJVNZSVGPCIMH-UHFFFAOYSA-N 454.752 4.057 10 10 JICE CCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665378 PZCRGNUMOLQVKH-CJLVFECKSA-N 483.996 4.251 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](c5ccc(F)cc5)C4)nc(C)n3)CC2)cc1 1869298318 MTRVILXUDWBYJL-UQBPGWFLSA-N 477.584 4.226 10 10 JICE COCCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872744236 ZGVVTXXEDPJAFZ-UHFFFAOYSA-N 458.518 4.351 10 10 JICE CCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162487 XZKGRRWWUCYSPK-UHFFFAOYSA-N 482.628 4.448 10 10 JICE COc1ccc(CCN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166693 FFLPAEHPATXWJG-UHFFFAOYSA-N 455.558 4.177 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079037989 SLOGQGDYJSYLEL-CYBMUJFWSA-N 479.240 4.009 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H]2CN=[N+]=[N-])CCN(Cc2ccccc2)CC1 2124506999 DRMFGPXXPSFBSK-FQEVSTJZSA-N 456.591 4.237 10 10 JICE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3sncc3Br)cc2)CC1 2286071558 PCGLIGDNAOERFA-INIZCTEOSA-N 454.390 4.044 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296541950 SRSFAKRJXVODQU-IRXDYDNUSA-N 470.664 4.342 10 10 JICE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c1 2297345518 DQKTWZOASDIXJA-UHFFFAOYSA-N 483.619 4.050 10 10 JICE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C1=O 2313565183 YQBPGDJMUSEQOU-UHFFFAOYSA-N 464.319 4.469 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(O)cc1 15044364 NXZPIWNPWVEPMU-UNOMPAQXSA-N 458.561 4.204 10 10 JICE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 16911510 ATOVRNAZAUEHIZ-CXUHLZMHSA-N 497.381 4.393 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1cc(O)ccc1O)N2 20898565 HVFFWYMQLORSBO-XMMPIXPASA-N 494.551 4.238 10 10 JICE COc1cc(OC)c(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1Br 33638466 FXGKQSSBAHMLFV-FRKPEAEDSA-N 451.367 4.263 10 10 JICE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066440 WAUYRTIOEDKITD-UMUMUWHJSA-N 494.642 4.041 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526326957 CSNHNPDRXHXCQP-XMMPIXPASA-N 479.485 4.189 10 10 JICE CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NC(C)=O)ccc2O)sc(C)c1-c1ccccc1 920624024 DMCQNZFWBUYDKC-UHFFFAOYSA-N 496.541 4.360 10 10 JICE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1 1084076811 NBEINBMSEXZRTF-DEDYPNTBSA-N 461.430 4.092 10 10 JICE CC(=O)c1cc(F)cc(CN2CC[C@@H](Cc3cccc(I)c3)C2)c1O 1307786867 LHSKEDRVNLVTLZ-HNNXBMFYSA-N 453.295 4.403 10 10 JICE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)C1 1638301668 PPCVGPSCZXIWHU-MTNREXPMSA-N 458.400 4.233 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860651078 JPHHMZCHDHYGPD-UXHICEINSA-N 484.618 4.483 10 10 JICE CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862209831 WMUYXPRVOVNERH-SQJMNOBHSA-N 481.637 4.220 10 10 JICE CCCCCCOc1ccc2[nH]cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2c1 1866443932 FQVIJSPNMVVWMD-UHFFFAOYSA-N 463.578 4.458 10 10 JICE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858705 OITFINWGZLVDAM-NAKRPHOHSA-N 481.637 4.077 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164004 HRERTNCNROYTSV-UHFFFAOYSA-N 497.643 4.235 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873165843 WXBYNNNOTHBHOP-UHFFFAOYSA-N 463.965 4.264 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1OC 1873422296 PKWZBEHUDBAWQQ-UHFFFAOYSA-N 457.530 4.466 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 2296808138 WSBWFUVAHOXHOR-UHFFFAOYSA-N 463.628 4.183 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C2=O)c1C 2297310001 PGSXRZLJQANRDS-UHFFFAOYSA-N 498.583 4.183 10 10 JICE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 2297342019 RGBVQKABZIGQRT-UHFFFAOYSA-N 492.915 4.176 10 10 JICE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 2297350205 YHFWIQBWXBWAFU-UHFFFAOYSA-N 477.860 4.494 10 10 JICE O=C(O)CN1C(=O)C(=Cc2ccc(-c3cccc4c3C(=O)c3ccccc3C4=O)o2)SC1=S 2297476524 UPTAZTPNSDPSBK-UHFFFAOYSA-N 475.503 4.008 10 10 JICE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 20356284 QMOGHIPXJVAOMB-PTLCIYQVSA-N 489.601 4.434 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 730540160 DUPCNFSWZSPVII-UWSIMGETSA-N 450.579 4.306 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)c(Br)cc3F)c2)CC1 1459046356 AWJBQNCRLZKZPO-UHFFFAOYSA-N 454.727 4.162 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2)c1 1860905098 LNWCDOCTXPXEEF-UHFFFAOYSA-N 481.600 4.444 10 10 JICE COCCCN1C(=O)c2ccc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C(=O)OC)cc2C1=O 1865887504 MBZAFJNDPDHWNR-UHFFFAOYSA-N 492.553 4.395 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852921 AETFXFJVOUQZDK-SQHAQQRYSA-N 468.617 4.134 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873164081 LBHOFYDGTNOJRZ-UHFFFAOYSA-N 495.535 4.486 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3C)ncnc21 1875199753 NOIGPKCZFABMCR-UHFFFAOYSA-N 484.604 4.343 10 10 JICE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2313681442 FBPGSAMGFGVZBP-UHFFFAOYSA-N 465.506 4.157 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 14468671 HRULZHZPFVIYOY-IECBHUPTSA-N 456.564 4.134 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3OC)CC2)cc1 16891171 FVLPPZFQZGZKMS-CLOONOSVSA-N 465.619 4.447 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 16919690 PISRTYKQFAMGRI-XSFVSMFZSA-N 473.572 4.088 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(I)c1O 59861293 ZXAJZPSXYAGWGT-XGICHPGQSA-N 498.660 4.166 10 10 JICE CC(=O)c1ccc(NC(=O)/C(C)=C\C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 71538182 PVAATYYURXATNT-PFONDFGASA-N 452.466 4.188 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC(C)C 1083897036 NSIWCJLEVWIGCX-LICLKQGHSA-N 487.350 4.467 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 1084076037 WVKXDZYDENYQQZ-RQZCQDPDSA-N 487.896 4.348 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)NC)CC1 1705682061 OTUUBGCDPGRJFH-UHFFFAOYSA-N 497.441 4.224 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(F)F)[C@H](C)C1 1749847058 YOEHXGGSSADWON-GOSISDBHSA-N 486.567 4.039 10 10 JICE CC[C@@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466334 QKFUOLPVDJTQPB-CMJOXMDJSA-N 466.493 4.111 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861960276 JYKAXAZFUDKPHY-SANMLTNESA-N 477.992 4.097 10 10 JICE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869490 SFOQJNJVJHHGBK-DNQXCXABSA-N 470.013 4.086 10 10 JICE Cc1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168943 QTVMGRWGLOXROW-UHFFFAOYSA-N 479.584 4.238 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079060614 JWVHMCQVPYRNSF-CQSZACIVSA-N 464.250 4.471 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H](CN)c1cnn(Cc2ccccc2)c1 2194864809 VDNBVLIQGUYUIA-RUZDIDTESA-N 461.610 4.409 10 10 JICE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNCc2cc(Cl)cc(Br)c2O)C1 2199842358 LJHGJRVDPREIJP-LJQANCHMSA-N 463.800 4.171 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccco1 2297364180 XLUABFOBZAQKSY-UHFFFAOYSA-N 452.850 4.012 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313559215 UISGCHYEEOIWHU-UHFFFAOYSA-N 497.935 4.416 10 10 JICE COc1ccc(Cl)cc1N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2318755915 BWWPRDYBTUPWLB-UHFFFAOYSA-N 452.897 4.377 10 10 JICE CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10911333 IKEUAMODRFMQMT-HHHXNRCGSA-N 474.582 4.292 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(Br)cc1 34852335 YWABXMCUCBVHOQ-GZTJUZNOSA-N 458.308 4.344 10 10 JICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1 39836121 GDGZNRCNUSOJOD-LDADJPATSA-N 495.582 4.088 10 10 JICE Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 39920750 YHUUVAWLJASMKB-XMMPIXPASA-N 464.953 4.391 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 40938980 KOXMOCYAQRYGAJ-MSUUIHNZSA-N 497.436 4.120 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc(OC)c1O 59862297 KXHPDQSIBNMIKL-NTUHNPAUSA-N 475.295 4.295 10 10 JICE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 101973985 XEGRVKDGGKQAAU-PBXDPIQXSA-N 472.975 4.272 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCc2cccc(OC)c2)cc1 205960445 GWMZTQVFCFOJLX-JJIBRWJFSA-N 472.501 4.427 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526332563 DRGHODBZSWGJEN-XMMPIXPASA-N 476.485 4.131 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cc(C)ccc1OC 1857997073 ZYRVBXWTWLBLHQ-UHFFFAOYSA-N 459.499 4.427 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)sc3C)ccc21 1859573513 SEKFCOYZACNDNX-UHFFFAOYSA-N 484.603 4.177 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 1860344932 ILWFSMMTOZOAPC-UHFFFAOYSA-N 482.569 4.332 10 10 JICE O=C(CNCc1ccc(F)c(Br)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860719414 YGUBLLPYLYQSCF-UHFFFAOYSA-N 467.294 4.092 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccc(F)cc1 1860765448 LZDWGHRTHLJJMQ-UHFFFAOYSA-N 476.555 4.013 10 10 JICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013191 RXUAPRINJPRVOT-NYHFZMIOSA-N 494.567 4.044 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013604 DKXVKAVNDDIQGO-AOMKIAJQSA-N 476.577 4.229 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018587 OKZOJQKLNVHPMZ-QKKBWIMNSA-N 496.995 4.168 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3cc(F)cc(F)c3n2)N2CCCCC2)cc1 1866499553 KBQJKUSPMDZNKR-QFIPXVFZSA-N 454.521 4.242 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905712 YQHWGXUUFSNBKK-LSYYVWMOSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868700701 RRZNTVIULMTYCS-XMMPIXPASA-N 469.601 4.208 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)Cc3ccccc32)n1 1869110746 ZSHWEUQCQUCHPL-OAQYLSRUSA-N 473.621 4.331 10 10 JICE CCCCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870662980 DVXQYBQINJFVIY-UHFFFAOYSA-N 484.685 4.090 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 2294095540 WLLPGBRLXNFSHT-UHFFFAOYSA-N 456.285 4.459 10 10 JICE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296664434 AZSOBCMLCXWUEG-ZDUSSCGKSA-N 484.418 4.097 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 2297328317 RHSBWFIOVDVUFZ-UHFFFAOYSA-N 458.539 4.496 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1Cc1ccc(O)c(O)c1 2308896194 XFYNEEXTQQZKOJ-JGXREDOWSA-N 471.509 4.365 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 2323733393 HCNIUTVGLWICEE-UHFFFAOYSA-N 484.643 4.386 10 10 JICE Cc1ccc(CNC(=O)c2csc(I)c2)c(O)c1Br 2352932298 LCTAQXPQTNGJQJ-UHFFFAOYSA-N 452.111 4.059 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2250047 GIAUKMWEONTFID-RGVLZGJSSA-N 494.642 4.481 10 10 JICE COCCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612299 LKGLAWAMFMAQGB-UHFFFAOYSA-N 484.556 4.433 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066455 GZRVZOBFKJGVMG-JMIUGGIZSA-N 496.614 4.000 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 109478078 CMSPRUVSATUHGQ-UHFFFAOYSA-N 488.565 4.279 10 10 JICE O=C(NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1 206882959 VCFJJODYBPXJBC-QZQOTICOSA-N 471.563 4.150 10 10 JICE O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N(Cc1ccco1)Cc1ccccc1O 731402041 UDZRXCLQJWPYKB-NRFANRHFSA-N 470.547 4.172 10 10 JICE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)N(C)C)cc1 1858594187 OWLZOJKYPYTLLK-KOMLCTQHSA-N 488.631 4.225 10 10 JICE COc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860505103 IJFAFIYFXBSCIA-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864016946 AQFFGCMDPFAZAE-LQNXUBFPSA-N 488.588 4.235 10 10 JICE Cc1cc2oc(=O)c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(C)c2cc1Cl 1866296009 YCZAALUNAQACDU-JOCHJYFZSA-N 464.953 4.382 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(C(C)(C)C)n3)CC2)cc1 1869176368 OEQBBZSPLLCFSP-LJQANCHMSA-N 453.631 4.113 10 10 JICE CCc1ccc(COc2cn(CC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870464540 NVDRSBZUBFFMRU-UHFFFAOYSA-N 461.606 4.340 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(C)ccc3C)cc1C2=O 1873873640 PDEYNOHFZCCSAZ-UHFFFAOYSA-N 471.465 4.182 10 10 JICE Nc1ccc(-n2ccc(C(=O)NCCCONC(=O)OCC3c4ccccc4-c4ccccc43)n2)cc1 2162544074 FIMXTONWEWJVDW-UHFFFAOYSA-N 497.555 4.045 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H](CN)c1cnn(Cc2ccccc2)c1 2194864810 VDNBVLIQGUYUIA-VWLOTQADSA-N 461.610 4.409 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 2297346499 PWQPFELJVCHGQD-UHFFFAOYSA-N 490.010 4.067 10 10 JICE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)S2)CC1 2314433152 KQBZGFZXVNPXSS-UHFFFAOYSA-N 489.575 4.071 10 10 JICE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1 2314765117 VCFJJODYBPXJBC-UHFFFAOYSA-N 471.563 4.150 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1)C(=O)O 2314931850 RSOZSHCGWURGQB-GOSISDBHSA-N 456.545 4.293 10 10 JICE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)c1 20705907 RFJHWUUUBYSOLP-DRSNIGMVSA-N 475.954 4.096 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 33417279 KBSANFCWDJLOKN-UQIYEGRLSA-N 479.518 4.472 10 10 JICE COc1ccc(CN2C(=O)/C(=C/c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 40562469 FPBMBMDSNLNNFA-JCMHNJIXSA-N 477.611 4.481 10 10 JICE Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 102463853 PJVBUPOJFMKRSB-HLUGXMBVSA-N 488.617 4.343 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)CC1 1760573351 GVMHWHWKSDANOT-NDEPHWFRSA-N 492.668 4.207 10 10 JICE COC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870873557 LFCJQNHFEFKFPG-UHFFFAOYSA-N 479.577 4.309 10 10 JICE CO[C@H](C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951991854 CDWDSOSIQJHVKV-SSOJOUAXSA-N 477.513 4.037 10 10 JICE COc1cc(C(C)(C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952723423 IMWTZNCWQDTMNN-XMMPIXPASA-N 477.513 4.376 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C[C@H]21 2163175797 DSPZLHXIANERAX-HGHGUNKESA-N 472.630 4.302 10 10 JICE Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)cc1 2293270302 FYJWXMGBPOFXRZ-UHFFFAOYSA-N 468.560 4.038 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2294253439 TUUXRHRWFDRGOG-UHFFFAOYSA-N 479.945 4.277 10 10 JICE CCN1C(=O)c2ccc(-c3ccc(C=C4C(=O)N(c5ccc(C(=O)O)cc5)N=C4C)o3)cc2C1=O 2297305815 NTTXNJCLPKOFGL-UHFFFAOYSA-N 469.453 4.067 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 2313548683 CABUIMWMCQZAFY-UHFFFAOYSA-N 451.822 4.483 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2c1 2314650479 JBQYWXPKGQRTRP-UHFFFAOYSA-N 492.626 4.239 10 10 JICE COc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314837175 PFRRHHXDSYQNQE-LLVKDONJSA-N 493.404 4.392 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1773932 KRWGYKPMDLUWLL-FMQUCBEESA-N 451.573 4.043 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 3890902 WKSHBLAIIYWNEE-XJWHVNBWSA-N 452.467 4.083 10 10 JICE CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O 100147720 DSNVKFCZPXQOLH-LZYBPNLTSA-N 494.139 4.481 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]32)cc1 253562365 DEOYJWHXYVZVBN-SMIHKQSGSA-N 465.505 4.307 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(Cc2ccccc2)CC1 1860484433 MNCTYLXLMGEGAZ-CYYJNZCTSA-N 453.587 4.137 10 10 JICE CCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167319 AXFUHOHHIAIDMR-UHFFFAOYSA-N 450.627 4.296 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccco3)C2=O)cc1 1873167435 HINNMFPGOXCDTF-UHFFFAOYSA-N 486.616 4.433 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419416 DFJGBSXUXOKDDS-HSZRJFAPSA-N 486.528 4.373 10 10 JICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422330 RFWPNDQBQLCWGU-UHFFFAOYSA-N 455.514 4.235 10 10 JICE CCOC(=O)Cc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873977565 ALQFQZIIMJOOJL-UHFFFAOYSA-N 452.466 4.073 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2078994967 RNVFRYQAYNXUIY-KRWDZBQOSA-N 452.292 4.467 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079031878 SVXWKMRSKPNPLD-HNNXBMFYSA-N 454.308 4.497 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1C 2294199293 OMCNSPLDROAWKJ-UHFFFAOYSA-N 491.544 4.160 10 10 JICE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2297306662 WWNIKMJXCSIJCI-UHFFFAOYSA-N 458.517 4.434 10 10 JICE O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2314930294 ANOHPPSGIGPKNT-UHFFFAOYSA-N 497.381 4.393 10 10 JICE O=C(O)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 2029813 AVWKYNUWDLCVSO-CHHVJCJISA-N 468.339 4.498 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4cccc(F)c4)[C@@H]3C2)cc1 35872039 GGYKJRAVXHYOPE-BDYUSTAISA-N 475.564 4.027 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccco3)CC2)cc1 38598169 INJGYGRPXGYCHT-BTUURDQESA-N 463.622 4.484 10 10 JICE COc1ccc(N2CCN(c3ncnc(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c3[N+](=O)[O-])CC2)cc1 101471373 BUUPRTHBGVJHIS-CLOONOSVSA-N 466.586 4.125 10 10 JICE Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 103579047 KXVCUFHOIXBKRH-UHQOKOQESA-N 492.580 4.255 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 206923746 GDZYFSMGOLONQG-FMQUCBEESA-N 465.600 4.448 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526352159 XJKYEAWRDDCSAI-DEOSSOPVSA-N 491.496 4.349 10 10 JICE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586671937 PIMOBBMMOZJEOG-CALCHBBNSA-N 483.524 4.355 10 10 JICE CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1631425785 OQSPVGCDFCJDSK-XMSQKQJNSA-N 458.986 4.115 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)COC)CC2)sc(C)c1-c1ccc(OCC)cc1 1860629752 DYFJANWYIPIRJI-UHFFFAOYSA-N 488.606 4.122 10 10 JICE CCN(CC)Cc1ccc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860720684 OKXLEMMDKORMPB-UHFFFAOYSA-N 455.558 4.032 10 10 JICE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016721 WHTFVNFSXYLWNZ-KSFYIVLOSA-N 482.540 4.070 10 10 JICE CCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867536650 JLOCNTSCXKGPDB-SVBPBHIXSA-N 494.680 4.393 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869263641 KGAYVSMJHXIWRZ-LJQANCHMSA-N 480.012 4.357 10 10 JICE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873168258 OOJSHUKSTVMPKM-LJQANCHMSA-N 450.627 4.294 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168726 HGVCCNIJCYAFJG-UHFFFAOYSA-N 490.673 4.410 10 10 JICE CCN1C(=O)C(NCCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168956 RKDSBEHWGXRLMZ-UHFFFAOYSA-N 467.573 4.293 10 10 JICE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(F)cc1 2293308745 LFJMOAQANJXIEO-UHFFFAOYSA-N 479.327 4.282 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313558976 ODGFVOMFJDMFLN-UHFFFAOYSA-N 478.505 4.281 10 10 JICE CCOc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCC(=O)O 2314936114 VKOJVDLXZGHLKY-UHFFFAOYSA-N 489.531 4.075 10 10 JICE COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 33741030 PQALTSVOMXKWNR-WOJGMQOQSA-N 456.292 4.113 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccccc4Br)c3[N+](=O)[O-])CC2)cc1 40611193 ZLBJQPJKFDBMJC-UHFFFAOYSA-N 485.342 4.226 10 10 JICE COc1ccc(N2CCCN(C(=O)c3nnn(-c4ccc(Br)cc4)c3C3CC3)CC2)cc1 109715728 CQGKHIFALJHOCE-UHFFFAOYSA-N 496.409 4.268 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 210758764 FRFZFOOOWQBUBA-RCCKNPSSSA-N 470.616 4.479 10 10 JICE NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 728835910 OPYACCGUGWCINR-UHFFFAOYSA-N 472.570 4.466 10 10 JICE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 918211104 CQQFJFVZVCCJFA-QHCPKHFHSA-N 492.998 4.216 10 10 JICE COc1ccc(N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858033295 LOHWNLWDDFKQSG-UHFFFAOYSA-N 457.596 4.112 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CCC2 1865923735 LXWYYNBLRFWXMU-GFCCVEGCSA-N 462.955 4.067 10 10 JICE CCC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866889290 NANMHDJDISCFTI-HSZRJFAPSA-N 499.567 4.196 10 10 JICE CCC[C@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868748131 AEMZKSRDMPSILD-QYNZQUMISA-N 470.013 4.386 10 10 JICE CCNC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870970955 JDBQEDXABRFDEU-UHFFFAOYSA-N 483.572 4.162 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(NC(C)=O)cc4)c3)CC2)cc1 1872849808 NRILGUVMLWPRSR-UHFFFAOYSA-N 459.546 4.195 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NC[C@@H](O)c4ccc(Cl)cc4)cc3)CC2)cc1 1872884495 VLIUINPBCUJUQP-AREMUKBSSA-N 480.008 4.134 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164150 OPAICNPHMBPIHL-UHFFFAOYSA-N 452.514 4.152 10 10 JICE COc1ccc(CCN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166252 ITKTWRFOUMQFCA-SANMLTNESA-N 499.611 4.194 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c([N+](=O)[O-])c1 1873421017 CISDSIFJCPHPFI-UHFFFAOYSA-N 487.560 4.064 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CNC(=O)OC(C)(C)C 2106844861 WYRNUQUGSUPNLF-DLBZAZTESA-N 460.619 4.159 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CCN(Cc2ccccc2)CC1 2225793679 ZAGRCZBMEFWGFW-VQTJNVASSA-N 456.591 4.284 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296331051 GRNGOLQUXHXXII-UHFFFAOYSA-N 455.489 4.445 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297357766 NDMRSXKQJCPIOJ-UHFFFAOYSA-N 473.956 4.232 10 10 JICE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 2297499413 BOQVOBZPFIDYRD-UHFFFAOYSA-N 476.606 4.184 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2314760502 KOXMOCYAQRYGAJ-UHFFFAOYSA-N 497.436 4.120 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 2314934592 ILWJACHJFPHIIQ-UHFFFAOYSA-N 450.488 4.224 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468547 DJVMZUNNPPWANT-FHAGJXEFSA-N 470.591 4.478 10 10 JICE Oc1cc(Cc2c(O)cc(O)c(Br)c2O)c(Br)c(Br)c1O 14829006 ILWIINNNOSHNIH-UHFFFAOYSA-N 484.922 4.093 10 10 JICE biogenic O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 16922694 UIGQYNHGFZNGJW-WJDWOHSUSA-N 450.488 4.224 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 33436526 XMKULRREGBGIJE-CPNJWEJPSA-N 487.559 4.232 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 72413318 ZLWQMPYRGTYIOK-RUZDIDTESA-N 472.501 4.230 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 210415551 SCHKTSSTZBFFIB-RGEXLXHISA-N 484.599 4.384 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226692974 DJVMZUNNPPWANT-OHUGHZGNSA-N 470.591 4.478 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526332856 GPEFFPHKBOPMIX-DEOSSOPVSA-N 476.485 4.131 10 10 JICE COc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347316 JHLMPFZCFWCINA-HHHXNRCGSA-N 466.541 4.436 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)COC)C2)sc(C)c1-c1ccc(Cl)cc1 1860655220 LNAVEDIEALSBPD-MRXNPFEDSA-N 478.998 4.377 10 10 JICE C[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866613280 VFPPAUQAHFNSKP-KRWDZBQOSA-N 463.493 4.010 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(OC(F)(F)F)cc3)CC2)cc1 1873532532 RIKBSYPYXYUJMZ-UHFFFAOYSA-N 497.477 4.015 10 10 JICE COc1ccc(N2CCN(C(=O)CN(C)c3nc4c(Cl)cc(Cl)cc4s3)CC2)cc1 1891952582 VYVHUHZGGGAPGR-UHFFFAOYSA-N 465.406 4.397 10 10 JICE COc1ccc(Br)c(CNCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c1O 2236055013 NDSHMIMMRNTLAN-UHFFFAOYSA-N 481.362 4.394 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)NC1CCCC1 2296881363 CYYUJSNWRIXMCM-UHFFFAOYSA-N 453.427 4.489 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2297334360 SFMKVZLKCKSHQV-UHFFFAOYSA-N 477.473 4.144 10 10 JICE COc1cc(Cl)c(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 2297335002 VWBJVLLUFSQEPE-UHFFFAOYSA-N 471.749 4.495 10 10 JICE Cc1ccc(-n2nc(C)c(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 2313547918 GMZGJHZXFARFGK-UHFFFAOYSA-N 463.925 4.338 10 10 JICE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314760369 NCOZIHHISQAHMC-OAHLLOKOSA-N 450.335 4.182 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1OC 2314926583 MONWFWLQVYMGKU-UHFFFAOYSA-N 458.561 4.126 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314932824 ZGUCLDHVDPPAEA-MRXNPFEDSA-N 476.963 4.128 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314933919 FEZHWNPNCHVDGS-CQSZACIVSA-N 473.572 4.087 10 10 JICE CC(=O)N1C(=O)/C(=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 33304284 CWUBJEJSHRSAMC-FOCLMDBBSA-N 459.346 4.118 10 10 JICE COC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)c2ccccc21 33311521 RHFNGWUGTFOBFI-YBEGLDIGSA-N 467.934 4.448 10 10 JICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990354 XNWXLQIOMFDPAY-UNOMPAQXSA-N 458.653 4.286 10 10 JICE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 40867744 ULDFUATVLSBFPV-MOSHPQCFSA-N 457.573 4.347 10 10 JICE Brc1ccc(-c2nnc(N3CCOCC3)n2CCCSc2nccs2)s1 1587545394 UHPGGNHRQWYDCD-UHFFFAOYSA-N 472.459 4.245 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(Br)c3)c3nnc(C)o3)CC2)cc1 1858124000 WOGGIPDWEVMYMP-NRFANRHFSA-N 485.382 4.020 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143067 IBOUPDNARJFCTP-AQVHQIKZSA-N 495.689 4.419 10 10 JICE CC[C@@H](C)[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838380 AFZGYESCUMAFLG-OYLFLEFRSA-N 496.519 4.120 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517512 PZWUFHNBVHYLSN-UHFFFAOYSA-N 485.567 4.124 10 10 JICE O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2296154589 NFFKVHGPTWBMKQ-UHFFFAOYSA-N 470.865 4.269 10 10 JICE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2533230 YBLADPKQZOZZRI-FMQUCBEESA-N 469.563 4.038 10 10 JICE Cc1cc(CCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)n1-c1ccccc1 11085567 MKDYJSQVDFOUEE-UHFFFAOYSA-N 462.506 4.049 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)SC1=S 40938757 UHYZFVMQGZFNJQ-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413104 TWRZSDWEQRDWCA-GEBKJHSDSA-N 499.390 4.060 10 10 JICE CC[C@@H](C)[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466335 QKFUOLPVDJTQPB-IQMFZBJNSA-N 466.493 4.111 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864007117 GKTYINPVTVECST-QHCPKHFHSA-N 474.561 4.126 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864007783 UZFBWDIHQGABDW-VOIUYBSRSA-N 482.540 4.164 10 10 JICE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864021907 HWUKQFUCUXFWEQ-KRWDZBQOSA-N 492.498 4.034 10 10 JICE CCc1cccc(C)c1N1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865924209 YUUYLIUGWCHCIV-RSXGOPAZSA-N 476.665 4.320 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873170455 ZZOGRABPECYXID-UHFFFAOYSA-N 459.546 4.001 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2106876591 FGCALDBLQHMUPE-QGZVFWFLSA-N 460.619 4.446 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 2294199297 PDCKCYAVFBXTJM-UHFFFAOYSA-N 451.435 4.134 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 2296004746 RQPBIINIULGMNG-UHFFFAOYSA-N 484.262 4.087 10 10 JICE COCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)cc2)SC1=S 2296701569 CZOXFUOYXSLYCI-UHFFFAOYSA-N 455.557 4.162 10 10 JICE COc1ccc(C=C2C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1Br 2297358281 IPCJXUXTKMCMAF-UHFFFAOYSA-N 455.337 4.434 10 10 JICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314399670 BCIJSHGODJQHGZ-IRXDYDNUSA-N 498.674 4.150 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2314413630 CQDUJCYQDZPDMV-UHFFFAOYSA-N 450.589 4.145 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105308 TVUCYIDYURZOQW-UHFFFAOYSA-N 489.494 4.063 10 10 JICE COc1ccc(N2CCN(C(=O)c3c4c(nc5ccccc35)C(=O)N(C3CCCCC3)C4)CC2)cc1 8603572 IQSZPOJUYGAVMK-UHFFFAOYSA-N 484.600 4.494 10 10 JICE CCc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 8766022 ADBIZHRQPZTJQJ-XDHOZWIPSA-N 472.588 4.115 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cn4)c3C)C(O)=NC2=S)c(OC)c1 18126396 TVJHGTHPELEPOW-ODLFYWEKSA-N 476.558 4.486 10 10 JICE Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)/C=C\c3ccc4c(c3)OCO4)cc12 33695447 IPNOFLLFRZWSJC-YWEYNIOJSA-N 494.555 4.040 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 250949167 LMLVQVOIYWXYFS-BHDDXSALSA-N 489.886 4.483 10 10 JICE COc1ccc(-c2nc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)sc2C)cc1 1860744022 ZDSMAJMUWWSJAL-UHFFFAOYSA-N 497.532 4.480 10 10 JICE CC[C@@](C)(NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679336 UOAQJXWELDDSQP-NIYFSFCBSA-N 472.029 4.476 10 10 JICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419692 PVNZYGIRBYFNDP-VWLOTQADSA-N 498.583 4.424 10 10 JICE Cc1cc(=O)c2cccc(Cl)c2n1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179724 MIRWTSBICTWURM-UHFFFAOYSA-N 456.885 4.377 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2040498732 OAHILRSADXOBLS-UHFFFAOYSA-N 498.605 4.074 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2040499489 ZQGVGGRIHXDETR-QGZVFWFLSA-N 494.642 4.495 10 10 JICE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079126153 UPJIKDYDACIMKQ-QGZVFWFLSA-N 454.308 4.240 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 2296882155 KJCSKXGTWLXBTG-UHFFFAOYSA-N 475.617 4.330 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NC3CCCCC3)c3ccccc23)SC1=S 2326945329 UUSNGZHOVGMSLL-UHFFFAOYSA-N 485.631 4.156 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330539596 XCVBRWDCZBJFPH-HSZRJFAPSA-N 488.415 4.355 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1 8596153 JBNZFJWFCMCTNX-UHFFFAOYSA-N 450.539 4.412 10 10 JICE CCOc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)csc3n2)cc1 20555603 PZGBONCCDNKZHJ-UHFFFAOYSA-N 476.602 4.361 10 10 JICE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 20704236 XUTQEYGCSFHVTE-YVHKJVDXSA-N 475.954 4.096 10 10 JICE O=C(c1ccc(Cl)cc1)[C@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 35882915 YBVJGPLYZAYZHT-FAHANXHHSA-N 496.950 4.325 10 10 JICE biogenic C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 47152413 HZOPCEQTHHQTLH-HIPMGEKLSA-N 452.517 4.305 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ncccc1OCC(=O)OC1CCCC1 1858851516 JCXUQEXLJAMRBX-UHFFFAOYSA-N 485.496 4.366 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861904664 FPQNBPOPQPDDEH-DEOSSOPVSA-N 475.614 4.021 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864010580 OBXJJPDYPNNZBN-HSZRJFAPSA-N 488.588 4.298 10 10 JICE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012850 KTKTVACEVLZTPU-HSZRJFAPSA-N 490.604 4.131 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cccc(NC(=O)C(F)(F)F)c2)N2CCCCC2)cc1 1866034202 KKSVIEROXDBHOX-OAQYLSRUSA-N 462.516 4.210 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3)CC2)n1 1867957785 IXYQOWAFDMZQPD-UHFFFAOYSA-N 472.637 4.009 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245266 BLXZARDHGNBSMI-LJQANCHMSA-N 480.012 4.357 10 10 JICE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873164748 QERQSNKMQANGSH-UHFFFAOYSA-N 462.638 4.440 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873165111 CFURQYIOEDDBAY-UHFFFAOYSA-N 460.622 4.191 10 10 JICE CC(C)N1C(=O)SC(=Cc2cc(Br)c(O)c(I)c2)C1=O 2294010704 FSOZNHZDSAXXEV-UHFFFAOYSA-N 468.110 4.204 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)c1 2294095480 SVMIRPIPNBNPHH-UHFFFAOYSA-N 475.476 4.076 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 2297345693 SJXIFNMOWFAXSI-UHFFFAOYSA-N 483.619 4.050 10 10 JICE COc1ccc2c(c1)c(C=C1SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C1=O)cn2C 2323865814 FXMCGDCYQGEGRD-IBGZPJMESA-N 452.557 4.084 10 10 JICE C[C@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15048716 CFDSSAQFKPUBJM-HOKMLHSDSA-N 464.568 4.172 10 10 JICE COc1ccc(N2CCN(c3ccc(-c4nc(-c5cccnc5)no4)cc3[N+](=O)[O-])CC2)cc1 20897888 XYHLSYDVBOTOBP-UHFFFAOYSA-N 458.478 4.042 10 10 JICE COc1ccc(O)c([C@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659016 SCSYJIXAKRHAHD-XMMPIXPASA-N 494.551 4.232 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 33812166 DRZILUOEOOZAKF-BFURNPMBSA-N 472.680 4.439 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(CSc4nc(Cl)cc(N(C)C)n4)cc3)CC2)cc1 35708476 NDEXQTWILCNQOE-UHFFFAOYSA-N 498.052 4.459 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 57015868 CDBIFHALWAKBEW-BCHFMIIMSA-N 495.645 4.456 10 10 JICE COc1cccc(OCCOc2ccccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 102465389 TXRQKPOYGGDFAX-DMNVVODESA-N 464.547 4.428 10 10 JICE O=C(NCc1cccnc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586626327 YTGYWCGQGVFCOY-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)CC1 1359365401 AYWCFLLEPFDFRK-UHFFFAOYSA-N 466.674 4.362 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027294 GBYLSSZHVKDMLM-DEOSSOPVSA-N 490.604 4.303 10 10 JICE COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)CC2=O)cc1OC 1865927102 IUIWLHQVZIZSRL-LJQANCHMSA-N 475.545 4.108 10 10 JICE COC(=O)c1cccc(OCc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)c1 1872849257 SDYSYZXRXVEPTQ-UHFFFAOYSA-N 460.530 4.023 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873167645 QOMKXVNZKCCIJU-UHFFFAOYSA-N 499.659 4.481 10 10 JICE COc1ccc(Br)c(CNCCCCCNC(=O)OCc2ccccc2)c1O 2220451052 QGFWNWGXBCEBTC-UHFFFAOYSA-N 451.361 4.350 10 10 JICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297296812 RZRINMIJCXBOOQ-UHFFFAOYSA-N 497.642 4.025 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3ccco3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297467766 HTWCFXUOKWFDHT-UHFFFAOYSA-N 477.889 4.215 10 10 JICE COc1cc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1Cl 2297469876 ARVFBMXYOURFTJ-UHFFFAOYSA-N 457.943 4.404 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314486906 NPCHHPKURDAGEM-UHFFFAOYSA-N 468.600 4.492 10 10 JICE COCCNCc1cnc(Sc2cc(I)ccc2Br)s1 2363647902 LURQROFXMLUXMJ-UHFFFAOYSA-N 485.210 4.397 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCc4ccc(F)cc4)n3)CC2)cc1 8853882 RVZMAJDWOAYWRF-UHFFFAOYSA-N 457.596 4.474 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c(O)ccc4ccccc24)N3)CC1 14547983 MOHOTXYWGGLLKK-BCQCSXDESA-N 475.614 4.308 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C)c(C)s4)sc3C)CC2)cc1 33290092 DSVGKIFKDDNALZ-UHFFFAOYSA-N 463.650 4.316 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Cl)c1O 59186058 NWIHAKVDLVPQCF-NTUHNPAUSA-N 454.788 4.491 10 10 JICE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(C(C)C)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076824 PJFMYQWOFPBJOU-UHFFFAOYSA-N 453.520 4.254 10 10 JICE Cc1ccccc1OCCn1cccc1/C=C1\C(=N)N2N=C(N3CCC(C)CC3)SC2=NC1=O 102464005 OEDUNWYAMHAEED-YKYBXDQRSA-N 476.606 4.184 10 10 JICE CC(=O)N[C@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)cc4)n3)cc21 170549501 NVLCVKXGEJTVMR-KRWDZBQOSA-N 463.968 4.224 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N3CCSCC3)cc1)O[C@H](C)C2 730528268 FFQSXZOKXZJIPY-FRGLQRNOSA-N 452.620 4.382 10 10 JICE COc1cc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc([N+](=O)[O-])c1O 1858594168 NZLNYJAMUHKOLF-DEDYPNTBSA-N 485.587 4.175 10 10 JICE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1cccc([N+](=O)[O-])c1 1860565219 QOICZDPBVOBAKD-UHFFFAOYSA-N 492.447 4.270 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1861923331 DDFVJJDTAYTALC-XMMPIXPASA-N 463.965 4.169 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc4ccccc4n3C)c3ccccc3)CC2)cc1 1862079407 LINPLONNPSTYRE-MHZLTWQESA-N 482.584 4.007 10 10 JICE CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862209829 WMUYXPRVOVNERH-OFVILXPXSA-N 481.637 4.220 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)s3)c3ccccc3)CC2)cc1 1862247911 CUPDRYAAYHQGMA-JOCHJYFZSA-N 469.994 4.230 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007497 OCVRDEBTAMGXTO-OAQYLSRUSA-N 482.968 4.246 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865030322 HVAKMJHGBPGRRX-NRFANRHFSA-N 470.614 4.390 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cnn4-c3cc(Cl)ccc3Cl)CC2)cc1 1873471993 RRSDOOIIJGRSKY-UHFFFAOYSA-N 455.349 4.458 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CCCSC)cc3)CC2)cc1 1874757157 HUDKXXRJRKKWSR-UHFFFAOYSA-N 455.624 4.172 10 10 JICE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881311246 XQKOYYGMPMONQV-PZJWPPBQSA-N 462.635 4.095 10 10 JICE Cc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 2059853250 MUHDEVYMRSYUNQ-BHDDXSALSA-N 471.896 4.344 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c1 2293497299 QFSJAMUAFAQLGX-UHFFFAOYSA-N 473.554 4.240 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1 2296394104 WZWAUMUEXHKTGB-UHFFFAOYSA-N 464.547 4.428 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nnc(C)s3)C2=O)cc1 2296881955 FHWBJXBGQCPLRB-UHFFFAOYSA-N 490.632 4.033 10 10 JICE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2Br)c1 2297365014 ZMSOYGXKMPRSJD-UHFFFAOYSA-N 469.320 4.226 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)c1 2313682545 FTAZLNRLRXFZOQ-UHFFFAOYSA-N 499.523 4.405 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314831191 FJOCNOCENBITCU-UHFFFAOYSA-N 498.626 4.228 10 10 JICE COc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314833985 YGCGTJXUUGHUGU-LJQANCHMSA-N 464.568 4.175 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330447410 GNKGSJQELISTOV-QHCPKHFHSA-N 488.415 4.355 10 10 JICE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(OC(C)C)cc3)C4)CC2)cc1 21039492 GHGXYRAVSWEOIQ-UHFFFAOYSA-N 473.621 4.157 10 10 JICE COc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659263 JUWDHQCQFLTOHW-JOCHJYFZSA-N 498.514 4.063 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310928 JFZMVKPEPJLDOC-SIKLNZKXSA-N 493.069 4.478 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413707 CLMQLWDVCBGJEJ-PZLPMSIKSA-N 470.554 4.450 10 10 JICE C/C(Nc1ccc(Cn2cnnc2)cc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205954689 NELBXQBMMMAWRB-HKOYGPOVSA-N 479.500 4.372 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633792 WSGNGWSGAWXANO-QFIPXVFZSA-N 467.449 4.320 10 10 JICE CC[C@H](c1nn(CN2CCN(c3ccc(OC)cc3)CC2)c(=S)n1-c1ccc(OC)cc1)N(C)C 732416133 DESXRBIJFULNRQ-XMMPIXPASA-N 496.681 4.213 10 10 JICE Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1C 1084405779 URNSNWKSTVFYEU-FYJGNVAPSA-N 457.534 4.302 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nccn1C(F)F 1705590598 QDQIQWKWCWUGFB-UHFFFAOYSA-N 473.531 4.455 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1858594227 QAXMCPZSHYXWQW-HDAKKWKLSA-N 457.573 4.381 10 10 JICE O=C(C[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 1860221322 ZOSLYJDTYORTGG-FQEVSTJZSA-N 464.949 4.240 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011794 YJQPBUIHIUFSDS-HSZRJFAPSA-N 490.604 4.401 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864017840 WPAUCUUDGRZOJV-HSZRJFAPSA-N 488.588 4.298 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079844438 MLKALBQBAAEVAS-CYBMUJFWSA-N 496.223 4.308 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079855981 OEVFPEBFYRTJPN-MRVPVSSYSA-N 484.212 4.007 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2296547584 GLDCVFIIBBZXEC-KRWDZBQOSA-N 486.663 4.010 10 10 JICE CC1=CC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])c(Br)c3)C(=N)N2O1 2297347817 MCJJHQNYRWDGAX-UHFFFAOYSA-N 483.278 4.387 10 10 JICE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2297468573 RVXCUGDWJSHDMI-UHFFFAOYSA-N 470.558 4.474 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314506114 AZUSMNHCVSEZBF-KRWDZBQOSA-N 493.610 4.484 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1nc2ccccc2s1 2314913683 UEGXXSUWRDMECI-UHFFFAOYSA-N 459.643 4.308 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15038002 LJPAQDHDALARQY-PDGQHHTCSA-N 490.990 4.452 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 16911963 UXHZQWXIINIJMB-YBFXNURJSA-N 457.529 4.157 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54421814 LIFAJHRFMODJBH-WIYYLYMNSA-N 479.042 4.169 10 10 JICE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 96460162 WDKQUDKDQKGPQA-RKQIHDTFSA-N 496.401 4.022 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2cccnc2)cc1 1858901535 RDJPUNISNQVXTA-UHFFFAOYSA-N 477.476 4.398 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008028 AERSTLGKUTYELQ-NRFANRHFSA-N 482.968 4.102 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864011173 RAEVEJINTSHJAA-XMMPIXPASA-N 484.556 4.356 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cc(Br)cc(OC)c2O)cc1 1865671927 HQQFHUCHJSMOEO-LDADJPATSA-N 480.318 4.401 10 10 JICE C[C@H](O)Cn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870867311 CPNCRPYYDZNTDS-IBGZPJMESA-N 479.577 4.305 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164143 OJNVATXCSFFJKP-UHFFFAOYSA-N 479.584 4.251 10 10 JICE CC(C)CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc21 1892056368 LRFUIMJPLYNPNO-UHFFFAOYSA-N 474.608 4.290 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 2059843655 FHRWSLHTVXBBQP-UHFFFAOYSA-N 469.497 4.467 10 10 JICE CCc1nn([C@@H](c2ccc(C)cc2O)C2CCC2)c(I)c1C(=O)OC 2079126428 XPBYEWOEAYIWPU-QGZVFWFLSA-N 454.308 4.240 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 2296604219 MOWOCIXJXZTYOE-UHFFFAOYSA-N 474.498 4.372 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2296881393 FDZUCAJWCUMCIW-UHFFFAOYSA-N 461.496 4.060 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2296881665 VCIQHJGVGIJNHP-UHFFFAOYSA-N 472.588 4.333 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N12 2297341127 ZZGZKKLCWDAUOZ-UHFFFAOYSA-N 452.561 4.392 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 2313549487 XOBICJRTLSJQTL-UHFFFAOYSA-N 473.323 4.140 10 10 JICE COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 27528344 CCAAUFMIRGHUDN-RGEXLXHISA-N 494.931 4.276 10 10 JICE COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c1 33436434 ZJWDALKHYPVMNO-DEDYPNTBSA-N 472.588 4.333 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1C 39835800 FGNOZWLGMPGDDL-QGOAFFKASA-N 495.582 4.170 10 10 JICE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 40937847 HFULMJUQSOPTSS-HKWRFOASSA-N 457.573 4.081 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)SC1=S 40938064 VCCSXAWMGORLHS-UVTDQMKNSA-N 474.398 4.011 10 10 JICE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1 254877314 QZONATYFZYEZID-SANMLTNESA-N 497.620 4.206 10 10 JICE CCN(CC)Cc1nc(C2(NC(=O)c3ccc4c(c3)c(C)c(C)n4CCOC)CCCC2)no1 486749141 CUTYTJDAWGFXNN-UHFFFAOYSA-N 467.614 4.329 10 10 JICE CCN(CC)Cc1ccc(COC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1 1857872787 BIMYIMWHBHIJNM-UHFFFAOYSA-N 469.807 4.483 10 10 JICE COc1ccc(-c2cc3nc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc(C4CC4)n3n2)cc1 1858148971 QCXFYGHAWKXCES-UHFFFAOYSA-N 483.572 4.253 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864012183 UAONIPVASMBYID-QHCPKHFHSA-N 494.567 4.181 10 10 JICE COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923344 JRLQGFVWHFBVCX-HYBUGGRVSA-N 499.055 4.111 10 10 JICE CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)sc(C(=O)OCc2ccccc2)c1C 1865956707 FTQASWQBZDXHFH-UHFFFAOYSA-N 452.532 4.354 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cccc(NC(=O)C(F)(F)F)c2)N2CCCCC2)cc1 1866034201 KKSVIEROXDBHOX-NRFANRHFSA-N 462.516 4.210 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CCC2 1866259111 MDQHWWDKRFMKEG-CYBMUJFWSA-N 469.588 4.323 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871524181 VLOQQMYDWBDIBG-UHFFFAOYSA-N 491.983 4.231 10 10 JICE CCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421914 WVYUQTZGEJDHNE-UHFFFAOYSA-N 477.586 4.100 10 10 JICE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873422964 YMMWISZZWJFPJB-UHFFFAOYSA-N 471.557 4.412 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)cccc21 1874018384 LFPQTSBIEYCZNY-IBGZPJMESA-N 477.520 4.434 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCC(C)C)ncnc4n3CC(C)C)CC2)cc1 1875207622 YWWPBSJQXMGVRY-UHFFFAOYSA-N 464.614 4.126 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2296546407 XAZNBXLRZAMWHB-UHFFFAOYSA-N 464.616 4.206 10 10 JICE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 2313559553 ZSHWMNSSBRARSP-UHFFFAOYSA-N 491.544 4.160 10 10 JICE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39991286 JKQPQIWYRTYCDD-HKWRFOASSA-N 488.679 4.057 10 10 JICE CCN1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Br)ccc1O)N2 65298147 LKNWMWXCEXRFJZ-LJQANCHMSA-N 472.383 4.219 10 10 JICE biogenic Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@@H]23)cc1 253561178 BUTSCXPKCKVBGY-QGENPCKLSA-N 465.505 4.247 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 526502714 XVKVJFSUWGOXHT-AREMUKBSSA-N 488.540 4.390 10 10 JICE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2cc(Br)cc(F)c2O)C1 717048495 NFULJTNZTLNWIF-LBPRGKRZSA-N 453.299 4.276 10 10 JICE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1084561340 SZPSMHKMYDQZPS-ZROIWOOFSA-N 494.139 4.277 10 10 JICE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1460740525 IVCTVDDHRQOJJU-UVTDQMKNSA-N 456.411 4.420 10 10 JICE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1nccs1 1741008560 SCKHTLWCEZCPTP-AOBSDOCKSA-N 468.652 4.408 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029945 YVNACVHUGKFWEA-OAQYLSRUSA-N 496.995 4.452 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031880 QOWBEBPHWYNBNO-JOCHJYFZSA-N 488.588 4.467 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865033373 YGXJMDYIOGEPDM-HXUWFJFHSA-N 482.968 4.062 10 10 JICE CCc1sc(NC(=O)CCC(=O)OC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865957469 IKXQSISQQNXBFO-UHFFFAOYSA-N 454.342 4.418 10 10 JICE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](CO)C2)n1 1868227065 ADHITMHRMVCZOW-KRWDZBQOSA-N 456.546 4.328 10 10 JICE COCCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C)n2)C[C@@H]1C 1868480441 AOJKASNWJVKSAX-OALUTQOASA-N 499.615 4.240 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 1874016270 DPZFWLPVXBUHDF-UHFFFAOYSA-N 496.544 4.193 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079862418 OTTOVQHHHFCXPB-CQSZACIVSA-N 482.240 4.103 10 10 JICE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106857080 HGMDRYBJCUQEBZ-ZCYQVOJMSA-N 452.643 4.355 10 10 JICE CC(C)(C)OC(=O)NCCN(CC1CC1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106871225 DGPPMWYODNIFRN-UHFFFAOYSA-N 460.619 4.303 10 10 JICE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297448992 QYGFGKZOCGKINB-UHFFFAOYSA-N 470.319 4.359 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)O)c1 2297533286 JWFRXZWCAMTDAD-UHFFFAOYSA-N 481.677 4.361 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)cc1 2313548301 RLIOTCGZAPQMTE-UHFFFAOYSA-N 473.323 4.301 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1C1CCN(Cc2ccccc2)CC1 2323879764 DKCPIXPSTPFMFN-UHFFFAOYSA-N 452.601 4.324 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 2329488631 VCFTYZABMKFZEI-MHZLTWQESA-N 463.622 4.151 10 10 JICE COc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)cc1 20248881 WPQBZLBEKFSAGH-MRCUWXFGSA-N 465.600 4.261 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 31660052 ZSNPEHWYMILQJM-XMMPIXPASA-N 498.898 4.445 10 10 JICE Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)c1 33332148 DHWATHHFVOAOLR-STZFKDTASA-N 472.570 4.244 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310943 SBTJUNDSHIQLQY-QPPBQGQZSA-N 472.651 4.133 10 10 JICE COc1ccc(N2CCN(C(=O)COc3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 65134069 OIYVLSUOFVCMLX-UHFFFAOYSA-N 486.494 4.207 10 10 JICE Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N(c3ccccc3)C2=O)cc1 1084470703 ZRZFUKBLWJJGJY-XLNRJJMWSA-N 457.486 4.008 10 10 JICE CCN(CC)CCOC(=O)c1ccc(NC(=O)CCNCc2ccc(N(CC)CC)cc2)cc1 1860709597 ZOZFCUQSCKDODZ-UHFFFAOYSA-N 468.642 4.150 10 10 JICE Cc1cccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)c1 1860918463 GVOLGFKRCIIMNN-UHFFFAOYSA-N 456.590 4.271 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1861944748 BDXRJBWBXUISJN-LJAQVGFWSA-N 485.628 4.451 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864017270 IZPLTJNFMSTZCA-BXKMTCNYSA-N 496.567 4.418 10 10 JICE COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866240588 RTBCEXZTEPBXHN-CQSZACIVSA-N 477.542 4.145 10 10 JICE C[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866790807 HENXYORMIMBJKY-HNNXBMFYSA-N 474.538 4.020 10 10 JICE CC[C@@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867155743 WYQVSWZAIAYRML-GOSISDBHSA-N 475.570 4.497 10 10 JICE CCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385491 FTYKYUZVUORITI-UIOOFZCWSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970896 SAXBPCRGEQLQKC-SFQUDFHCSA-N 480.572 4.254 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5[nH]ccc5c4)C3)cccc21 1874017417 PRVHJSQBUQCSKG-LJQANCHMSA-N 477.520 4.434 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2296065494 NHCBEZWNDPCGPE-UHFFFAOYSA-N 495.008 4.379 10 10 JICE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NCCOc3ccccc3OC)C2=O)cc1 2313683319 XFWNETFOAUFQAJ-UHFFFAOYSA-N 457.530 4.397 10 10 JICE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1 20356361 YFTKWNADJBUEIM-BJRGRWSZSA-N 462.579 4.165 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N21 32961219 IULTUFDFDRCDDI-HJDDMPKESA-N 480.980 4.096 10 10 JICE CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33248191 NZXWKVXEJHGELP-XDHOZWIPSA-N 455.923 4.362 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 39835938 RRZXSGABTMPLJW-QGOAFFKASA-N 495.582 4.034 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 40845393 ZWDZWMASIVCQRW-ZCXUNETKSA-N 458.948 4.026 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(-c4ccccc4)c4c(C)nn(C)c4n3)CC2)cc1 45992202 IULBXGYNISRFQN-HXUWFJFHSA-N 485.588 4.068 10 10 JICE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1F 96803840 JFPBOZBUGQIECD-IGSQJFRCSA-N 489.326 4.425 10 10 JICE CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 103496821 YWVQTKOKFYZDBI-CYPXAJCBSA-N 498.586 4.128 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526351155 LAYVYPLAPWYXSS-HSZRJFAPSA-N 461.470 4.340 10 10 JICE C[C@@H]1CN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586663569 NEJUJRZJGRIXPJ-IAGOWNOFSA-N 483.524 4.355 10 10 JICE CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)c(CCC(=O)O)s2)s1 1858034724 DGJQJPPFLDDLDN-UHFFFAOYSA-N 452.579 4.261 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccccc4F)CC3)cccc21 1860605946 WDQAHLSBSTZPBG-UHFFFAOYSA-N 470.500 4.021 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028210 RRXALTUNEVXIRM-FPTDNZKUSA-N 494.979 4.341 10 10 JICE CCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164506 LIHYTBOAXNNLGS-OAQYLSRUSA-N 494.507 4.049 10 10 JICE CC[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867935143 HBPCWVWVAIOOCT-PKTZIBPZSA-N 489.035 4.397 10 10 JICE CC[C@@](C)(NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679334 UOAQJXWELDDSQP-AFMDSPMNSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868936159 RTVDHZYNRHBEAK-IFMALSPDSA-N 469.601 4.208 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873169501 OKPFBNORCOUSLS-UHFFFAOYSA-N 488.607 4.445 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2294095101 JEJHUGUOIUAFRZ-UHFFFAOYSA-N 462.437 4.116 10 10 JICE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 2297365706 PISYRSAEVKFVDS-UHFFFAOYSA-N 499.346 4.316 10 10 JICE C[C@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 2314489604 SEHWRASYNAIICD-HDICACEKSA-N 466.628 4.180 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842528 XIUYIXOENFSWPD-UHFFFAOYSA-N 490.990 4.424 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1Cl 2321609693 YFFYSWVLUGRPSC-UHFFFAOYSA-N 452.897 4.377 10 10 JICE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S 2155348 HQBDYKKHSISSPK-ATVHPVEESA-N 466.902 4.472 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c(O)ccc4ccccc24)N3)CC1 14547985 MOHOTXYWGGLLKK-OREGWCPLSA-N 475.614 4.308 10 10 JICE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 32961936 LHOLDMLINGMVFQ-UHFFFAOYSA-N 495.601 4.138 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526285113 WGSMXGOLWVVYKX-JOCHJYFZSA-N 459.458 4.049 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CCCSc2nccs2)C1 1741019025 WJVXUGMOLHVZCQ-IBGZPJMESA-N 470.668 4.197 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034618 ANWRGOLDTOTFBO-NRFANRHFSA-N 496.995 4.121 10 10 JICE CCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867536649 JLOCNTSCXKGPDB-RRPNLBNLSA-N 494.680 4.393 10 10 JICE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867962699 OTAAPIWNDMGUFB-UHFFFAOYSA-N 489.620 4.177 10 10 JICE COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287553 PVYCKIINSBRQMR-UDWIEESQSA-N 484.599 4.348 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873170679 LYOZLOJMLDCSHB-UHFFFAOYSA-N 486.591 4.197 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 2053504750 IMJSSCUHDMHAGM-UHFFFAOYSA-N 457.486 4.393 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313559952 CPDMANAYZJNYKZ-UHFFFAOYSA-N 474.473 4.020 10 10 JICE COC(=O)c1cnc(Sc2cc(I)ccc2Br)s1 2316388751 LTQPQWNZICLYEY-UHFFFAOYSA-N 456.124 4.448 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15047349 GHRRRPKBPKEYCB-HIPMGEKLSA-N 451.529 4.095 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 33319966 XJFYTWNTCAMQPW-UNOMPAQXSA-N 460.402 4.297 10 10 JICE COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(N(C)C)cc4)CC3)nc2)c1 34681790 FGDPPAJHLKJOPD-UHFFFAOYSA-N 459.594 4.121 10 10 JICE COc1ccc(OCCOc2cc(C)cc(C)c2)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 34701705 GQWNIAFFTUIVHH-ULJHMMPZSA-N 458.514 4.231 10 10 JICE CCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 39983157 GGMOHUFPRDXJMS-CPNJWEJPSA-N 480.615 4.235 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 102989194 ACRYGLLYCIBPJZ-LDADJPATSA-N 458.653 4.487 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)c1 526614577 SOKLFSWNIFHGDG-DEOSSOPVSA-N 461.470 4.375 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1084033380 ODGFVOMFJDMFLN-PDGQHHTCSA-N 478.505 4.281 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)c(C)c3)c2)CC1 1585114510 YVCJRWHRARCKFG-UHFFFAOYSA-N 452.555 4.263 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3cc(C(=O)OC)ccc3O)cs2)cc1C 1858073650 HGCVEGNUYLHGDE-UHFFFAOYSA-N 462.549 4.119 10 10 JICE CC(C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858848600 LTVNRYIJRMDHCP-OAHLLOKOSA-N 473.485 4.220 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079016618 POIZXVCRINLEMK-OAHLLOKOSA-N 454.308 4.497 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c1C 2294229103 UHDWHKUCQLYPPV-UHFFFAOYSA-N 473.554 4.271 10 10 JICE CN(C)c1oc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 2313557073 SOEODDXAUAGECM-UHFFFAOYSA-N 473.110 4.081 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4c(C)cc(C)cc4C)n3)cc21 11857576 KQISVHGWBNHYDS-UHFFFAOYSA-N 457.577 4.281 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 39835844 MRSYUMLXCBDQCL-XMHGGMMESA-N 481.599 4.341 10 10 JICE CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)C[C@H](C)O4)n2)cc1 71555540 PIPCWMAVODKZEI-AWEZNQCLSA-N 457.577 4.307 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526439011 ZEHMTWBKQBLATI-XMMPIXPASA-N 461.470 4.375 10 10 JICE O=C(CCNCc1ccc(F)c(Br)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860712651 JPNLCGLWCXJGRL-UHFFFAOYSA-N 481.321 4.482 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013371 WOWBFSBBVVAZMC-UZUQRXQVSA-N 490.604 4.213 10 10 JICE C[C@@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866711666 FWJLTAXHWQHDOH-UZUQRXQVSA-N 466.537 4.489 10 10 JICE CCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870976285 HFQWHUUUEXSODS-RUZDIDTESA-N 490.604 4.288 10 10 JICE CN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)C1=O 2313549486 XNZIJKCYTPFNIK-UHFFFAOYSA-N 475.501 4.414 10 10 JICE CCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 2314739931 BUHOLPNQWIMJMK-UHFFFAOYSA-N 474.398 4.011 10 10 JICE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1C 20356505 BKGQLGDDFHFZTR-NLPPSYTOSA-N 462.579 4.165 10 10 JICE O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 27515609 CZKWHEOWWKPMGC-WOJGMQOQSA-N 478.452 4.112 10 10 JICE Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)C(=O)N=C3S2)c1 32964349 UUMAJYKPVCFPQJ-RLPJPJOASA-N 486.513 4.392 10 10 JICE Cc1csc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)n1 33323826 QFZLDUUXBGAFHF-WUXMJOGZSA-N 454.396 4.054 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)CC2)cc1 108694650 LPCVFGWQESTPRX-DQEYMECFSA-N 461.606 4.130 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865030375 IQQZUIDBGSYMSU-QHCPKHFHSA-N 488.588 4.331 10 10 JICE NC(=O)COc1cn(CCc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871114719 CCVAIIZCFLIXQQ-UHFFFAOYSA-N 468.557 4.311 10 10 JICE O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1CCCN1CCOCC1 2053509486 XTYMHPKWSPZMKQ-UHFFFAOYSA-N 493.994 4.432 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1OC 2296881443 HTFNOQXBQQFCKV-UHFFFAOYSA-N 476.551 4.082 10 10 JICE COc1cc(C=C2C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 2297341058 LYXMBOMFVPCZQN-UHFFFAOYSA-N 484.559 4.473 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 14472888 WJDXLXIDDCECNC-IUKKYPGJSA-N 488.997 4.011 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15036115 OXIDUUCSZTVTLG-UNOMPAQXSA-N 458.561 4.030 10 10 JICE CC[C@H](C)[C@H](NC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1)C(=O)O 606671942 GIMAHZLTMPHYGX-OXFKDEMESA-N 454.573 4.322 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 1860086406 FNDQGVYGUUNYDI-XSFVSMFZSA-N 456.589 4.348 10 10 JICE COc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 1860743627 BNXAULJRSSZCHJ-UHFFFAOYSA-N 493.475 4.235 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(C)c1-c1ccc(C)cc1 1860750904 YYWPXYDMISRPHW-UHFFFAOYSA-N 493.585 4.232 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865031556 JOAATUJZUIRFKN-NRFANRHFSA-N 476.577 4.324 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873165217 IUJNBLMEBIKPLE-UHFFFAOYSA-N 487.600 4.268 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170023 LSBKWHVINQXIIT-HOYKHHGWSA-N 471.605 4.308 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170024 LSBKWHVINQXIIT-KOSHJBKYSA-N 471.605 4.308 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(Cl)c3)cc1C2=O 1873882948 AZPWMGZURYPDOU-UHFFFAOYSA-N 477.856 4.218 10 10 JICE O=C(CCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1C(=O)NC1CC1 1874016124 AJRKLQHQWNLXBU-UHFFFAOYSA-N 495.535 4.102 10 10 JICE O=C(COC(=O)CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1cc(F)ccc1F 2040466902 RRUWISUHKTYJGI-UHFFFAOYSA-N 488.537 4.294 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc4ccccc4c3)C(=O)NC2=S)cc1 2040469925 UFYRWPJDJWZWTQ-UHFFFAOYSA-N 453.523 4.470 10 10 JICE CC(C)(C)OC(=O)NCC[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106705306 LJGGXPIYJMXSSS-QGZVFWFLSA-N 460.619 4.303 10 10 JICE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)C1 2124506476 XRZGLWUQECZZNZ-GBXCKJPGSA-N 456.591 4.095 10 10 JICE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O 2259379812 SPTSOSFYDRZBDF-HNNXBMFYSA-N 453.555 4.038 10 10 JICE CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313559414 XZPIWVSUOWZZJL-UHFFFAOYSA-N 483.746 4.472 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NCCCOC(C)C)nc12 2257679 YOACKAVJRGBMTC-LDADJPATSA-N 474.652 4.087 10 10 JICE CCCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)nc2ccccc21 33171753 KWXVPTMKERDCDX-UHFFFAOYSA-N 482.584 4.445 10 10 JICE COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 68149466 OIWVNMRPHUCLHN-IYBDPMFKSA-N 473.570 4.390 10 10 JICE Cc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1Cl 96460824 HHNJUTIFKFXRAD-BQLOJNAPSA-N 476.967 4.308 10 10 JICE Cc1oc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1Br 107980907 KVIRWROOIOJSLC-UHFFFAOYSA-N 461.278 4.444 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 1084369070 CHDMOCNKDBBHHW-HMAPJEAMSA-N 490.487 4.478 10 10 JICE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccc([N+](=O)[O-])cc1 1860563316 RUJNFAPFRJOTEK-UHFFFAOYSA-N 492.447 4.270 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862119616 RWIZUOCURVTUEY-HHHXNRCGSA-N 469.585 4.316 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028382 SYVVJCWWJPZEHX-FPTDNZKUSA-N 494.979 4.198 10 10 JICE COC(=O)c1c(NC(=O)[C@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1866017547 IWVZQVALMLQHQM-QGZVFWFLSA-N 489.391 4.487 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1868274542 DQLMTEPTXVQIDP-RTBURBONSA-N 499.615 4.103 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4c(Cl)ccc(Cl)c4Cl)n(C)n3)CC2)cc1 1869969293 LFUCSOQXLJVOFP-UHFFFAOYSA-N 495.798 4.363 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3)CC2)cc1 1874749938 KYTMUGDZSTZGKC-UHFFFAOYSA-N 473.573 4.351 10 10 JICE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cc(O)c(O)c(O)c1 1951969415 QSKBSHRFKBEEJU-NRFANRHFSA-N 477.513 4.463 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079857372 ZRLYHOUCOPNVRS-ZDUSSCGKSA-N 468.213 4.279 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048706 WOAVXNPHRJVMGL-KRWDZBQOSA-N 466.319 4.455 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc12 2294095507 UIRAZKRTDNUBNZ-UHFFFAOYSA-N 451.276 4.277 10 10 JICE COc1cc(C=C2SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 2296879780 BPAHTSLPFSGIOL-HNNXBMFYSA-N 459.545 4.130 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2297298458 ISNGUQSJASHPSE-UHFFFAOYSA-N 464.865 4.322 10 10 JICE COc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314827646 JMRBUSAUNHHOSM-UHFFFAOYSA-N 463.378 4.298 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2323809228 NTXAKFPTEINHPY-OAHLLOKOSA-N 464.362 4.052 10 10 JICE CCCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105237 KOHLXMDNINFUNE-UHFFFAOYSA-N 481.568 4.127 10 10 JICE Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c(C)n1-c1ccc2c(c1)OCCO2 32301247 LJCYZBFKOJLXCI-XMMPIXPASA-N 460.509 4.257 10 10 JICE CCNC(=O)c1cccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)c1 36064113 FZXDRPPJXIOVGH-UHFFFAOYSA-N 491.661 4.471 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 1083937423 AMNLXNSSYVXKKT-UNOMPAQXSA-N 488.587 4.160 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5ccc(F)cc5)cc4n3)CC2)cc1 1858147020 ADXJOMQFCLDPBI-UHFFFAOYSA-N 471.536 4.384 10 10 JICE Cc1csc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860344951 JVSFAKXLEWZCLO-UHFFFAOYSA-N 455.543 4.368 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2)N2CCCCC2)cc1 1866060989 FFBQTCKSYSEWKK-DHIUTWEWSA-N 490.570 4.206 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 1866134976 YMPAYJBDTWAQPF-QFIPXVFZSA-N 460.416 4.237 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867774349 CRIVFJVQFVTIIA-FTJBHMTQSA-N 464.654 4.385 10 10 JICE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1873164677 MYBGXUQTPWOGLS-UHFFFAOYSA-N 492.620 4.185 10 10 JICE COc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n[nH]2)c(OC)c1 1874180065 YKGSADOJLOSXBQ-UHFFFAOYSA-N 453.454 4.122 10 10 JICE O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 2297361595 XXLHAADUZQQPEG-UHFFFAOYSA-N 451.323 4.425 10 10 JICE COC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314754451 SMAPKCDYRLNEMQ-UHFFFAOYSA-N 488.425 4.401 10 10 JICE COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S 6581369 WFXBIEKNJFIUNV-WOJGMQOQSA-N 463.964 4.465 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15044893 ZZROCDDJJORJHE-SSZFMOIBSA-N 499.452 4.192 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 16922687 RNEPRBGAJUQCNW-WJDWOHSUSA-N 450.488 4.224 10 10 JICE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 20356218 GAUZPGXSYGWOSY-YKYBXDQRSA-N 475.574 4.125 10 10 JICE CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33932696 BMITXCBBRXGRAO-DEDYPNTBSA-N 454.573 4.055 10 10 JICE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 34746341 ACXGEWXDSPYUSI-XSFVSMFZSA-N 494.642 4.161 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N21 96460638 RIKZVXOKVITWCU-WKWHHHHXSA-N 476.967 4.247 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(F)c(C(F)(F)F)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088723239 DRFIADUZZZPWFD-AXLKIAQESA-N 491.509 4.493 10 10 JICE O=C(COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NC1CCCCC1 1858838833 VMMPSMIWIXIJTG-UHFFFAOYSA-N 498.539 4.329 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4OC)n(CC(C)C)n3)CC2)cc1 1862349514 JYBKTYQKLZEOTB-UHFFFAOYSA-N 462.594 4.494 10 10 JICE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)cc1 1866242010 CWBHOKRAWCYFPL-UHFFFAOYSA-N 477.542 4.228 10 10 JICE CC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869492 SFOQJNJVJHHGBK-ZEQRLZLVSA-N 470.013 4.086 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)C(C)(C)CNC(=O)OC(C)(C)C 2074366432 CXAQCJVSIBOCHD-IBGZPJMESA-N 450.624 4.026 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031153 GROUBZLKCYAKJX-HNNXBMFYSA-N 455.340 4.144 10 10 JICE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079953292 VATKYTYWJSCYDP-GOSISDBHSA-N 467.351 4.422 10 10 JICE CCN1CCc2cc([C@H](NC)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2163123287 KAHHSMZABVJCLF-LBNVMWSVSA-N 464.654 4.499 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716206 IUANQIQBGWOFIL-OWCLPIDISA-N 456.637 4.177 10 10 JICE CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)sc2c1CCCC2 2296740274 REIHFYLUVPXAKX-UHFFFAOYSA-N 473.938 4.036 10 10 JICE O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 2297350586 RJIJJMYGAYAKPR-UHFFFAOYSA-N 463.628 4.183 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C2SC=NN12 2297365389 YYOVCFRWFALALF-UHFFFAOYSA-N 459.300 4.416 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314770152 ZRSDMRUNCUSIFH-IBGZPJMESA-N 466.584 4.319 10 10 JICE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 2314829201 ZMBANHYQAHWOPO-UHFFFAOYSA-N 467.341 4.134 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCC(=O)O 2314931949 JQBZIVNCBDYYBT-UHFFFAOYSA-N 459.545 4.353 10 10 JICE CC(/C=C/c1ccccc1)=C1/SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 9440442 QWXPYFKYGNJUTD-QUIORGEYSA-N 466.628 4.245 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 20236652 JPFPKPVBLDEGKE-XHJIMPDRSA-N 451.866 4.327 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1c(F)cccc1Cl 33314198 ZFJWRVUMCZEFJC-IUXPMGMMSA-N 467.927 4.353 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 33769374 QPJBTKDTORPWCC-VHEBQXMUSA-N 472.975 4.334 10 10 JICE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 39793803 ZYHIXVZDRRRTFD-BKUYFWCQSA-N 486.615 4.327 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ncc(C(F)(F)F)cc4Cl)c3N)CC2)cc1 40727981 JCPUUUPAZPFBRE-UHFFFAOYSA-N 479.894 4.205 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101350328 HVARKFFXFLPRFD-JWGURIENSA-N 452.580 4.197 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453469 CLMQLWDVCBGJEJ-WWOVWOHCSA-N 470.554 4.450 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCCSCc2nc[nH]c2C)cc1 103526861 KEGXXLGLTFCQCN-PTGBLXJZSA-N 461.591 4.275 10 10 JICE Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c(N=Nc2ccc(S(=O)(=O)O)cc2)c1N 263593005 AUPOYHVOSSAUEG-UHFFFAOYSA-N 490.523 4.484 10 10 JICE Cc1cc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 1858130871 QLQGPPQOOGNXKG-LFYBBSHMSA-N 491.535 4.132 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3C[C@H]3c3ccccc3)c3ccccc3)CC2)cc1 1868903618 OIKUSKLGRKUFPE-GMQQYTKMSA-N 469.585 4.005 10 10 JICE CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650585 VFCHMQRKFBXWOC-UHFFFAOYSA-N 499.619 4.105 10 10 JICE Cc1cccc(O)c1Cn1nc(I)c(Br)c1C(F)(F)F 2079184124 LLUXBMFDKUWRLZ-UHFFFAOYSA-N 461.019 4.331 10 10 JICE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080035961 UQGRWZVUEHEVRL-AWEZNQCLSA-N 493.267 4.317 10 10 JICE CCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 2296709045 GGMOHUFPRDXJMS-UHFFFAOYSA-N 480.615 4.235 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC)C(=O)O 2314932973 QTTGTSSSSOWPSE-SFHVURJKSA-N 487.599 4.390 10 10 JICE Cc1cc(C=CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 2324534937 QLQGPPQOOGNXKG-UHFFFAOYSA-N 491.535 4.132 10 10 JICE CCSc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)s1 39885910 GTXDZMVBCIQKGZ-XFXZXTDPSA-N 454.599 4.019 10 10 JICE COC(=O)C[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1cccc(Br)c1 108811753 WMPDMRGJJKSFOT-LJQANCHMSA-N 456.340 4.286 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCO[C@H](C)C1 1705480600 WRCBVXCRALQLNN-FYYLOGMGSA-N 474.653 4.311 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(F)cc3C)sc2CCC(=O)O)cc1 1858034670 AFULCRUDAHGSDY-UHFFFAOYSA-N 450.513 4.084 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cc(OC)ccc5OC)[nH]c4c3)CC2)cc1 1861869055 NDSAQXRLCUCKFO-UHFFFAOYSA-N 472.545 4.218 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864010581 OBXJJPDYPNNZBN-QHCPKHFHSA-N 488.588 4.298 10 10 JICE CSCC[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020930 HRUNCCONIDTCRC-KSFYIVLOSA-N 478.614 4.465 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(C)c4)n(-c4ccccc4)n3)CC2)cc1 1869971105 XGNWVIIDMCABHN-UHFFFAOYSA-N 468.561 4.163 10 10 JICE CCCCCCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870677040 PNJURMOOOAZJHT-UHFFFAOYSA-N 493.652 4.104 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419675 PEPAKLNJWJLTAN-QFIPXVFZSA-N 485.540 4.194 10 10 JICE CCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421676 KNSJTIOQSIXQLE-UHFFFAOYSA-N 457.530 4.483 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294253348 DKWVQXFYBHTIEX-UHFFFAOYSA-N 470.865 4.269 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297306609 AKLRIUGWWRHMGH-UHFFFAOYSA-N 493.497 4.177 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 2297365674 HUWFOLOYXGTIPJ-UHFFFAOYSA-N 486.937 4.064 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 2313681804 NQXBDOIQJNSUIN-UHFFFAOYSA-N 473.982 4.270 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2314508671 PWTBSJQLDVALAO-UHFFFAOYSA-N 495.582 4.170 10 10 JICE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1Cl 20356671 PHTISHOMKPYCCT-SREDRKHISA-N 495.992 4.136 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC[C@H](C)C2)SC1=S 39990053 GWZPOOCGAHODJZ-CCRNYGKSSA-N 458.653 4.286 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4ccccc4F)[C@H]3C2)cc1 245279068 BHOWXGMVVOAZTG-RPLLCQBOSA-N 475.564 4.027 10 10 JICE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705738461 YOCUECQGBQWVTQ-UHFFFAOYSA-N 453.631 4.329 10 10 JICE CCCOC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858849798 BLTAKEMGFJESPD-HNNXBMFYSA-N 473.485 4.222 10 10 JICE CCCC[C@H](NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156353 BBHOETXPDSDOHN-NTCLMWMPSA-N 479.621 4.131 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864012689 GQJXGNBIIBEROB-OAQYLSRUSA-N 496.995 4.169 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCCC2)cc1 1865971363 WETRZKVPSHRUID-QHCPKHFHSA-N 458.647 4.043 10 10 JICE CC[C@@](C)(NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890396 CEOYUVPXXXVMRI-GDLZYMKVSA-N 499.567 4.196 10 10 JICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCO[C@H](C)C3)n2)cc1 1869333805 FWVXQFAROAAXJM-OAQYLSRUSA-N 489.620 4.103 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCc3ccccc3)CC2)cc1 1870435161 SWRQYTPQADMLHB-UHFFFAOYSA-N 475.633 4.457 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCOc4ccccc4)cc3)CC2)cc1 1872717139 RDEYKPFFSBWTFC-UHFFFAOYSA-N 482.602 4.054 10 10 JICE COC(=O)C1CCC(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167154 UYHHVVOCWNLALY-UHFFFAOYSA-N 491.632 4.399 10 10 JICE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421438 XWRBVYWHGQAVOW-UHFFFAOYSA-N 470.573 4.050 10 10 JICE C(=C1CCC2=C1N=C1N=NNN1[C@@H]2c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 2040494956 AXMSHOHLXNQUBR-HHHXNRCGSA-N 497.603 4.089 10 10 JICE COc1ccccc1OCCC(=O)NCCN1C(=O)SC(=Cc2ccc(SC)cc2)C1=O 2042444256 QINODYDLUAVNGV-UHFFFAOYSA-N 472.588 4.039 10 10 JICE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079982513 WLODURXKSXPWMU-SFHVURJKSA-N 484.334 4.331 10 10 JICE CCN1CCc2cc([C@@H](CN(CCNC(=O)OC(C)(C)C)Cc3ccccc3)NC)ccc21 2106861103 XFTLWUURFMTRMF-XMMPIXPASA-N 452.643 4.356 10 10 JICE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1 2154541118 KWNYCWRHQOXXAT-WIYYLYMNSA-N 451.792 4.331 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2330408361 ZVWQYVZZZSKBKW-SANMLTNESA-N 461.606 4.172 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2419830 GRSNYKWHIILHOB-QGOAFFKASA-N 485.562 4.172 10 10 JICE O=C1N=C(O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccc(O)cc1 2991503 YMAJFCYWRMIQIX-FYJGNVAPSA-N 459.414 4.386 10 10 JICE CN(C)c1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 33266626 VQUWPQVZKYIWTB-UHFFFAOYSA-N 472.568 4.134 10 10 JICE O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc1 33307001 MOPPNANBUKOPCZ-HMAPJEAMSA-N 472.453 4.236 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 33366742 LFLXHUWSWPVDAJ-UFTLPMNOSA-N 469.544 4.477 10 10 JICE O=C(O)c1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 33456349 PBEVHCONJYEPGQ-DEDYPNTBSA-N 487.424 4.379 10 10 JICE COc1cc(/C=C2\SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)ccc1O 33458101 WRGFJZURLJWTRU-UNOMPAQXSA-N 463.481 4.212 10 10 JICE CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54311050 OIWZATGICRUDJJ-RDPSFJRHSA-N 472.651 4.078 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(F)c(C(F)(F)F)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088723240 DRFIADUZZZPWFD-FNQVVVRFSA-N 491.509 4.493 10 10 JICE CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c([N+](=O)[O-])c1 1613659021 GQPPQJCIGKTEJQ-UHFFFAOYSA-N 450.447 4.238 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3cc(C)c(OC)cc3C)sc2CCC(=O)O)cc1 1858034727 DMTGUIPSIDCIPR-UHFFFAOYSA-N 476.576 4.262 10 10 JICE Cc1cc(C)cc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1 1866288600 IWKMNAMLEUTWGH-AREMUKBSSA-N 487.648 4.181 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc3cc(Cl)ccc3oc2=O)N2CCCCC2)cc1 1866289303 FKRAWNXRDUROBN-JOCHJYFZSA-N 453.970 4.469 10 10 JICE CC[C@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867113100 KQHAXKOPGDXGGD-HXOBKFHXSA-N 484.552 4.498 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1869141186 MPGTVEIUGIOYCA-XMMPIXPASA-N 487.652 4.318 10 10 JICE COCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162436 VGOCRKJVETUNLY-UHFFFAOYSA-N 475.564 4.182 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(C)c3)CC2)cc1 1874642580 IPGGJNWJGOMWBZ-MUUNZHRXSA-N 496.611 4.175 10 10 JICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2053466879 VBUPOIGBWXIZNG-IBGZPJMESA-N 499.614 4.067 10 10 JICE CN(C)C(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1Br 2079218337 UKBHNISAJGLUDE-UHFFFAOYSA-N 460.172 4.139 10 10 JICE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)cc1C 2080001947 PQPFSQIMWLZLMG-QGZVFWFLSA-N 479.362 4.350 10 10 JICE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194843506 KBVSPGVWUBYFPR-NRFANRHFSA-N 476.662 4.437 10 10 JICE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 2296565752 TTWLDNSWJCOLDR-UHFFFAOYSA-N 481.508 4.373 10 10 JICE O=C(CN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)NCc1ccccc1 2296716236 OPPZDGAVDUWJSR-UHFFFAOYSA-N 491.638 4.254 10 10 JICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2297365337 OLDCVNCBFVFRID-UHFFFAOYSA-N 476.872 4.284 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 2313682569 GENMPAZIYSLZLG-UHFFFAOYSA-N 469.497 4.397 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccs1 6603494 OLYDYMCMZWTLGX-XQFFYOLASA-N 480.449 4.157 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1nc2ccccc2s1 31099480 BUFWRNZOZFHCFX-BOPFTXTBSA-N 457.577 4.343 10 10 JICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990367 XHEXWECINYRRKJ-MOSHPQCFSA-N 482.631 4.423 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5c(F)cccc5s4)C3)CC2)cc1 90506553 GJIMTTMIMVMUAI-KRWDZBQOSA-N 454.571 4.009 10 10 JICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 251987323 HWUHDGMZGWDNOQ-NLJXWPIHSA-N 476.573 4.199 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018912 DBYOUDXPAYMKTF-HSZRJFAPSA-N 488.588 4.049 10 10 JICE CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccc(OC)cc2)C3=O)c(C(=O)O)c1 1865884891 OJWQGYXJTDBONA-UHFFFAOYSA-N 472.497 4.047 10 10 JICE C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865927129 JEJHBPRCKVERRA-QQSVUBKYSA-N 462.638 4.006 10 10 JICE CC(=O)CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)(C)C)n2)CC1 1868340840 KIQDZHXBULEZCH-UHFFFAOYSA-N 497.599 4.004 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(N(C)C)cc4)cc3)CC2)cc1 1874746541 UWWXRHJPTCOPIC-UHFFFAOYSA-N 487.600 4.375 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(=O)O)c1I 2080051676 CEWWAGVTIBBHKR-LBPRGKRZSA-N 458.296 4.197 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccccc2)cc1 2297364380 DPGJTZWFAHGSJN-UHFFFAOYSA-N 491.297 4.335 10 10 JICE COc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 49593243 WHLPLKROCYPIDG-RLRNXUHXSA-N 479.514 4.178 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 54421875 QLNWTHYMIYXCAH-OAQYLSRUSA-N 454.592 4.417 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccccc3C=O)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413230 MLYJBAMZZGZFSK-RUZDIDTESA-N 457.530 4.330 10 10 JICE CCOC(=O)CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 102446210 DHHUMRKJLQYSAN-QCIUGURRSA-N 463.563 4.229 10 10 JICE COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 210894624 WEPVFFVVRFHFBV-UDWIEESQSA-N 450.541 4.355 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 251459346 GOJDSTQWDOJIIA-ZHMLZFAISA-N 463.489 4.031 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 1084193639 XZTJOQGLMHBLFC-ZHZULCJRSA-N 491.544 4.241 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H](C)C(=O)NC 1705681929 KZGOSQIZLARVFJ-OAHLLOKOSA-N 485.430 4.080 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc([N+](=O)[O-])c1O 1860086117 LBTBKEHSVRHLJV-LDADJPATSA-N 457.533 4.315 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccc(C)c(C)c1 1860761547 XZYMPAGEUNLMDF-UHFFFAOYSA-N 485.650 4.491 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)SC1=S 1860826131 AOJVZDRGRHIEBS-UDWIEESQSA-N 480.567 4.454 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861945527 SFUMDWWXGUMCTN-GDLZYMKVSA-N 499.655 4.321 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 1866141659 ZHLMGAADSCRLTA-DHIUTWEWSA-N 458.647 4.185 10 10 JICE CC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866861517 KUSCXNTYLBJODJ-HXUWFJFHSA-N 492.535 4.134 10 10 JICE CCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329141 JREQYYWZMWQMJL-IZZNHLLZSA-N 464.654 4.303 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1867703069 DZDHTQXUFCCNDW-JOCHJYFZSA-N 477.436 4.133 10 10 JICE CCCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870903621 PEKGMFCCLDDDFH-UHFFFAOYSA-N 465.550 4.182 10 10 JICE CCOc1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871531717 MBCWRUIQYDOEPL-UHFFFAOYSA-N 491.640 4.229 10 10 JICE CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2163080553 NJZVQBOCESJSAB-UHFFFAOYSA-N 472.630 4.399 10 10 JICE CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228405 TWRZSDWEQRDWCA-GOSISDBHSA-N 499.390 4.060 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br 2294199334 SXKWVPFAFRMPHP-UHFFFAOYSA-N 493.354 4.217 10 10 JICE Cc1cccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)c1 2297365991 IUVKRFZCARUSNH-UHFFFAOYSA-N 467.275 4.177 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c(OC)c1 2313541781 ZBKVTPITVQJHTO-UHFFFAOYSA-N 493.497 4.012 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2313656667 UVRKESCBMDZTHA-UHFFFAOYSA-N 492.582 4.410 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)c1 2313683596 HWBLTSGDRRRIDK-UHFFFAOYSA-N 499.523 4.405 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314413546 AELGFTDWYNVKQR-UHFFFAOYSA-N 486.663 4.313 10 10 JICE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1OC 16929757 WAXXVPDWDPZISJ-UYRXBGFRSA-N 458.561 4.126 10 10 JICE O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2O)CC1 34683985 JRJUHYXKYLDRHG-UHFFFAOYSA-N 484.549 4.120 10 10 JICE Cc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)c(C)c1 1859616552 PVAKXNQYUDBQGA-UHFFFAOYSA-N 463.493 4.185 10 10 JICE O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1)c1ccccc1 1860599205 IMCZAAMRPGCTPC-UHFFFAOYSA-N 494.547 4.302 10 10 JICE CCc1sc(NC(=O)C(=O)NCc2ccco2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763866 PBLBIOPWDVXGCE-UHFFFAOYSA-N 491.363 4.375 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864022513 NNIQNCPPKVKWHA-QGZVFWFLSA-N 494.514 4.257 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3cc(C(C)(C)C)ccc3c2=O)c2nccn2C)cc1 1866435876 AVXDBFAYUQMJMD-HSZRJFAPSA-N 457.578 4.145 10 10 JICE Cc1ccc(C(=O)CCC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1867097813 TYNQTHRBLNPEQC-GOSISDBHSA-N 482.536 4.185 10 10 JICE COCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170665 LGFYCGCTXAFOAH-UHFFFAOYSA-N 463.965 4.264 10 10 JICE CCc1ccc([C@H](C)NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1 1873915822 KMALRHDSDKBAPY-HNNXBMFYSA-N 499.519 4.366 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc(O)c(O)c1O 1952863345 UTQNGKKXZPDGAQ-KNQAVFIVSA-N 461.470 4.200 10 10 JICE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 2059853249 MUHDEVYMRSYUNQ-BDTNDASRSA-N 471.896 4.344 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c1 2294204842 JMMXVZWVHAQWKY-UHFFFAOYSA-N 477.498 4.393 10 10 JICE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C1 2296716221 MCKWWAQNADCFEH-HZPDHXFCSA-N 468.648 4.321 10 10 JICE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560330 PZVOMLUBKGMEAQ-UHFFFAOYSA-N 457.486 4.028 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817646 FWCAYFIBOBNNFT-UHFFFAOYSA-N 478.599 4.395 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)cc(OC)c1OC 6906109 MHBHXLCCNVTNMD-WOJGMQOQSA-N 476.551 4.082 10 10 JICE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)c1 14472818 RFJHWUUUBYSOLP-HOIFWPIMSA-N 475.954 4.096 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20703031 BGPABRCJPDRRHB-BPUGDSSMSA-N 462.546 4.356 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4c(C)cccc4C)n3)CC2)cc1 33309916 CICUEJRVWJKSMW-UHFFFAOYSA-N 463.607 4.159 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 34377920 BNDQRTZFGJVLNL-QFGUUYLXSA-N 467.572 4.495 10 10 JICE COc1ccc(N2CCN(c3cc(C)nc(SCc4ccc(C(=O)NCC(C)C)o4)n3)CC2)cc1 36038915 POLMCCVBAKYLRR-UHFFFAOYSA-N 495.649 4.391 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(Cl)ccc3OC)c3ccco3)CC2)cc1 38940509 REVBZIOEQQXPBS-QFIPXVFZSA-N 469.969 4.244 10 10 JICE CCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 39836084 FYAFQZUOMVIVNC-SFQUDFHCSA-N 453.545 4.025 10 10 JICE CCOC(=O)c1c(NC(=O)C[C@@H]2SC3=NCCCN3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 64980976 CHVBTSJNPWXUMV-BBRMVZONSA-N 477.652 4.108 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCC(C)C)[C@@H](C)C1 1301714137 VQJILSFHEWOQGS-QFIPXVFZSA-N 492.668 4.472 10 10 JICE CC(=O)N1CCCc2cc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccc21 1476084445 QILVCSLJBGCLSM-LJQANCHMSA-N 458.509 4.378 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccnc(Cl)c4)CC3)cccc21 1860603277 FWHYPEJUAPULLZ-UHFFFAOYSA-N 473.916 4.001 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873164690 NORXYHOGVDJOKA-RUZDIDTESA-N 485.584 4.022 10 10 JICE CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569020 IGJVXKKCWIEEGC-UHFFFAOYSA-N 498.631 4.067 10 10 JICE C[C@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1877572044 ZQESBBKTTZTHBR-SIBVEZHUSA-N 454.567 4.413 10 10 JICE COc1ccc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(O)c1 2130838484 GETSUOGAKZZGJF-UHFFFAOYSA-N 455.599 4.050 10 10 JICE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2201347456 DXKSNBDKSUMNDQ-QUGAMOGWSA-N 472.630 4.303 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(OC)c3)C(=N)N12 2297344976 CTZATEZZAMCXMU-UHFFFAOYSA-N 482.587 4.483 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2297471306 LATJKRVDFVQKMS-UHFFFAOYSA-N 465.535 4.201 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314836720 IYEHNNALVUSTTE-ZDUSSCGKSA-N 458.561 4.028 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105167 DRKGICCBNLRIMB-UHFFFAOYSA-N 483.568 4.241 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC 33403274 DJBHCUXUPKZZMS-MHWRWJLKSA-N 479.377 4.013 10 10 JICE COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 34235902 XYUWUCGGVFTFSZ-GDNBJRDFSA-N 468.263 4.224 10 10 JICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 34255921 ZGSHKWQLBLCJLV-LNVNRHOASA-N 494.642 4.148 10 10 JICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990007 CLUDSPBSRBRYCB-UYRXBGFRSA-N 456.637 4.182 10 10 JICE CCc1cc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(C)nn2-c1ccc(C)cc1 46017003 WIHANDZZIHFNGR-UHFFFAOYSA-N 499.615 4.336 10 10 JICE COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 59567400 UGPUOXGKTAFUTL-UHFFFAOYSA-N 461.426 4.365 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 59822523 AVJGFCHQWWGREE-BVZFJXPGSA-N 479.602 4.167 10 10 JICE CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 101664958 YRHCGPPVGDJXAT-HZHRSRAPSA-N 462.546 4.423 10 10 JICE CC(=O)[C@H](/N=N/c1ccccc1S(=O)(=O)Nc1cnc2ccccc2n1)C(=O)c1ccccc1 196549081 OJCIRNSVIDTMRH-JPUYLNEOSA-N 473.514 4.355 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCCC(=O)O 210465458 YWVPATSTSUZRKZ-HKWRFOASSA-N 457.573 4.383 10 10 JICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013853 HOCSJLYUZSRHMP-QFIPXVFZSA-N 482.540 4.090 10 10 JICE Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)cc2)cc1 1865883324 AKRZMCQTSYVPSB-UHFFFAOYSA-N 462.509 4.303 10 10 JICE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873168257 OOJSHUKSTVMPKM-IBGZPJMESA-N 450.627 4.294 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873169741 ULNOZPCHHXXIGC-UHFFFAOYSA-N 470.617 4.306 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419664 OPMQFEXXPCHQNT-HSZRJFAPSA-N 481.556 4.341 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079945423 HCLKATFWJXQEOO-KRWDZBQOSA-N 454.308 4.295 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080035781 HLLXTESYONTTET-VIFPVBQESA-N 450.223 4.144 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2080047618 HGQZIRPPJMZFCI-ZDUSSCGKSA-N 472.323 4.285 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 8634462 CJHIOLPDKNERIG-VWLOTQADSA-N 467.472 4.345 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 15039333 WGZZEROQSLPPLF-UYRXBGFRSA-N 472.588 4.338 10 10 JICE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15048816 AQTBFJJAHYDGDI-ZPBHHCQCSA-N 454.396 4.134 10 10 JICE CC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=O)N=C2S1 33307269 XXVNRGZZYKHBJW-BQLOJNAPSA-N 469.320 4.307 10 10 JICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1O 40940092 LHNWIUAYDGEWEW-VGOFMYFVSA-N 499.795 4.363 10 10 JICE CCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 40940126 FNSWMBZJCCDMEQ-ZCXUNETKSA-N 471.991 4.403 10 10 JICE CCN(CC)c1ccc(CN(CC2CC2)C(=O)c2cccs2)c(OS(=O)(=O)CC)c1 96292657 BQJROWRAYJXHHJ-UHFFFAOYSA-N 450.626 4.375 10 10 JICE COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 96640333 UHQSXPUKIBJVIU-GZTJUZNOSA-N 482.343 4.381 10 10 JICE CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)sc2c1CCCC2 102879896 REIHFYLUVPXAKX-RVDMUPIBSA-N 473.938 4.036 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccc(OC)c(OC)c2OC)cc1 103578238 SISIMRRMEWPJRO-RCCKNPSSSA-N 489.484 4.464 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cccc21 170562510 FMDDFSLKJOWVLH-GOSISDBHSA-N 479.536 4.054 10 10 JICE CCOc1c(Br)cc(Cl)cc1NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 248127034 IERLAGCCRFJMKW-UHFFFAOYSA-N 482.806 4.271 10 10 JICE CC(=O)c1cc(F)cc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1O 1642875198 IVXKFDIRHLSZOG-INIZCTEOSA-N 450.226 4.338 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862150523 VUIKKBAPOFTTDN-CXUHLZMHSA-N 463.622 4.250 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(C)c4)n(CC(C)C)n3)CC2)cc1 1862335022 XLVMDRZYKPFDFI-UHFFFAOYSA-N 462.594 4.494 10 10 JICE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)c1 1864016013 HGMWQMYCIXFGIZ-HSZRJFAPSA-N 496.567 4.126 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2I)N2CCCCC2)cc1 1865870827 SLXVCXOFJYOOEI-OAQYLSRUSA-N 477.390 4.314 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cccc3c(Br)n[nH]c23)N2CCCCC2)cc1 1866211545 LSNHCLZPOQJXCL-FQEVSTJZSA-N 470.415 4.348 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1867703070 DZDHTQXUFCCNDW-QFIPXVFZSA-N 477.436 4.133 10 10 JICE Cc1ccc(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165144 DMAPRZNIMSBVFL-UHFFFAOYSA-N 470.617 4.224 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c(OC)c1 1873422387 UUWAEZOGPBTRCQ-UHFFFAOYSA-N 457.530 4.466 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2c[nH]c4ccccc24)C3=O)c1 1873894474 MKVSWVKQQGZTLE-UHFFFAOYSA-N 452.514 4.325 10 10 JICE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2074369048 WZBVWEFYKQVLNH-AZUAARDMSA-N 450.624 4.026 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079060613 JWVHMCQVPYRNSF-AWEZNQCLSA-N 464.250 4.471 10 10 JICE CCCCOC(=O)CN1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314739952 CHVKWRPCZQEQLM-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(O)cc3C)C2=O)cc1 2321623697 LTJVTVGTJATNSX-UHFFFAOYSA-N 456.589 4.354 10 10 JICE O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10909487 JXSLXMZSZVVWGG-SANMLTNESA-N 460.555 4.120 10 10 JICE CN(C)c1ccc(CNC(=O)C2CCN(c3ncnc4onc(-c5cccc(F)c5)c34)CC2)cc1 33085060 AWTGDDUDGOOIAA-UHFFFAOYSA-N 474.540 4.023 10 10 JICE COC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 40937880 WMJVDJRTTOOPAN-ZROIWOOFSA-N 474.398 4.009 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526283135 SBKJLDPFTOFEKC-QHCPKHFHSA-N 459.458 4.049 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526505870 JCCVZSKCSNGKMX-XMMPIXPASA-N 462.502 4.238 10 10 JICE CN(C)S(=O)(=O)N(Cc1ccc(Cl)cc1F)c1cccc2c1C(=O)c1ccccc1C2=O 586234781 WTACKNXLZUKPLF-UHFFFAOYSA-N 472.925 4.068 10 10 JICE CCOc1cccc2cc([C@@H](C)NC(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)oc12 742947437 FNERNFLWEBSVPD-LJQANCHMSA-N 466.582 4.023 10 10 JICE CCc1ccc([C@H](c2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)N(C)C)cc1 1858130219 GEJGRHREDVOVKE-AREMUKBSSA-N 478.662 4.256 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2F)sc(C)c1-c1ccc(F)cc1 1860759232 PTYMXMMDIOQZSE-UHFFFAOYSA-N 458.486 4.433 10 10 JICE CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862209828 WMUYXPRVOVNERH-BWKNWUBXSA-N 481.637 4.220 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017183 HLDVQOZDCIIYJM-QFIPXVFZSA-N 476.577 4.155 10 10 JICE CCOCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871263036 RFOYVLKQTMUXDI-UHFFFAOYSA-N 451.567 4.392 10 10 JICE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106875193 AOQBCTIXNGHTRY-KRWDZBQOSA-N 460.619 4.398 10 10 JICE CCN(CCO)c1ccc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)cc1 2296565781 XMXVKPZOLGNJED-UHFFFAOYSA-N 479.536 4.478 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 2313626203 GOJDSTQWDOJIIA-VXNXHJTFSA-N 463.489 4.031 10 10 JICE COCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2205472 FIUMOGXTCIJDSS-GHRIWEEISA-N 469.613 4.002 10 10 JICE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 15046100 SZJGFHZZWGIJQH-MTUBTWAWSA-N 478.979 4.291 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 15056211 QWLSGHMEWXMVOL-SXGWCWSVSA-N 463.378 4.264 10 10 JICE COc1cccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20236655 XDYHBTCBACDVKD-OWQXJLPTSA-N 467.865 4.027 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1 54620971 YEYROHKMHFTDJS-HSZRJFAPSA-N 457.486 4.419 10 10 JICE O=C1N=C(O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Br)cc1 59198153 FOQQXDNNDMZMQP-SDQBBNPISA-N 466.631 4.223 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)c1 205959166 FTAZLNRLRXFZOQ-JJIBRWJFSA-N 499.523 4.405 10 10 JICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 254846925 RDJDDJZFAHQVDO-VWLOTQADSA-N 469.635 4.446 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3occc3CSc3ccccc3)CC2)cc1 742920266 IDTBQXYJJVIKBH-UHFFFAOYSA-N 451.592 4.133 10 10 JICE CCOc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1O 1858594285 SNCFVQSQCBRPGL-ACRNLXFHSA-N 458.605 4.304 10 10 JICE CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839878 OINYSMJLONSCAL-QFIPXVFZSA-N 492.535 4.103 10 10 JICE CC[C@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1868149198 RXAZEDCSWASFPI-KRWDZBQOSA-N 460.917 4.364 10 10 JICE CCCC[C@H](NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868952311 XTCQTBQPUIYIEC-SANMLTNESA-N 465.638 4.350 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C(C)C)nc(C(C)C)n3)CC2)cc1 1869103623 CKDILISPEZVLRW-AREMUKBSSA-N 475.641 4.418 10 10 JICE NC(=O)COc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871114792 JYEQASJQTDSIAK-UHFFFAOYSA-N 472.520 4.256 10 10 JICE CC[C@H](NC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881311243 XQKOYYGMPMONQV-FPOVZHCZSA-N 462.635 4.095 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1OC 2295914072 JOHJPZQRSCHCKZ-UHFFFAOYSA-N 472.588 4.251 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OCC 2297310636 KAQZSSSXUHLUDS-UHFFFAOYSA-N 465.731 4.361 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 2297480337 ZVWKESBKTLZTKL-UHFFFAOYSA-N 483.590 4.266 10 10 JICE C[C@@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)C[C@@H](C)O1 2314486722 BRCSDABMFILGHF-IAGOWNOFSA-N 452.601 4.184 10 10 JICE O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCCC1 14732478 NJNZVKSYVLIFTC-UHFFFAOYSA-N 469.633 4.326 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)cc1 16911529 BMLHYGVQRMRUCK-XMHGGMMESA-N 484.599 4.384 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(Br)cc1 20287534 RDIOCKLLDZDQPI-DEDYPNTBSA-N 458.312 4.110 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 33516603 OJZDXVQBUSNPEI-RGEXLXHISA-N 464.616 4.269 10 10 JICE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OC 40937877 PNXONFRDOQMSEY-UVTDQMKNSA-N 474.398 4.011 10 10 JICE CCOc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(O)cc4)C(=O)N=C3S2)cc1OCC 53287653 OTXPNSNRGUZDLW-NUIIPWOLSA-N 450.520 4.051 10 10 JICE COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(N(C)C)cc1 54641744 IDBMABFNGLRZTA-HXUWFJFHSA-N 453.543 4.237 10 10 JICE CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cc21 71555543 PLQQBJKXLFRERI-OAHLLOKOSA-N 457.577 4.362 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]23)cc1 105526394 BUTSCXPKCKVBGY-NSXWQBIQSA-N 465.505 4.247 10 10 JICE CC1CCN(C(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)CC1 211950657 AZDGYOIXOGIECT-DEDYPNTBSA-N 456.589 4.318 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3sc(-c4ccc(F)cc4)nc3C)CC2)cc1 729605490 BWVHLFOIJTWFLG-IBGZPJMESA-N 497.640 4.449 10 10 JICE O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(Br)ccc1Br 915777942 FWLWWDJLJOSPQJ-UHFFFAOYSA-N 481.188 4.067 10 10 JICE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1705708201 ZKFABPAIKFDFHY-OFNKIYASSA-N 453.631 4.282 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871477779 LECUUMGVHPPBJY-UHFFFAOYSA-N 499.594 4.432 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(C(C)(C)C)c4)[nH]3)CC2)cc1 1871638364 HSXHALCXVTZKHW-UHFFFAOYSA-N 489.668 4.160 10 10 JICE CN(C[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106776804 LUFSUCAWZBIZAU-FPOVZHCZSA-N 463.619 4.156 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2296556366 QDHLCDKOLUXOGD-UHFFFAOYSA-N 481.258 4.074 10 10 JICE COc1cccc(OCCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347512 CZFWXJLPTXQFPK-UHFFFAOYSA-N 463.490 4.002 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1C 2297352600 FPERFBNTOLBTQD-UHFFFAOYSA-N 491.577 4.373 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2323809227 NTXAKFPTEINHPY-HNNXBMFYSA-N 464.362 4.052 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)OC3CCCC3)c3ccccc23)SC1=S 2326945405 LTCVSUXCTKQYJU-UHFFFAOYSA-N 472.588 4.193 10 10 JICE COc1ccc(O)c(CNn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1 13523595 IGMKEQYDFDYXHU-UHFFFAOYSA-N 452.308 4.284 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 33398388 FNBHKGVZFWOPFM-KQWNVCNZSA-N 458.514 4.231 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 33568179 QXERGBHHANKURF-DEDYPNTBSA-N 486.596 4.399 10 10 JICE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C1CCCCC1 33592454 LXIZLOWKTQEQSK-LFVJCYFKSA-N 483.634 4.148 10 10 JICE COC(=O)[C@@H]1[C@H](c2ccc(OC)cc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 35351980 MJCKIZLUEAJNBN-ZNZIZOMTSA-N 495.531 4.310 10 10 JICE biogenic COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(Cl)c3C)c3ccco3)CC2)cc1 38619291 PUTIGULUSFRSQD-JOCHJYFZSA-N 490.025 4.092 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864018645 POSUMZFUDQUHFU-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CSCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867059864 XTSPEGUNBHZLOU-ZDXQCDESSA-N 498.604 4.442 10 10 JICE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858704 OITFINWGZLVDAM-LSYYVWMOSA-N 481.637 4.077 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873168012 FZGLLTVHZAIMJT-UHFFFAOYSA-N 497.574 4.390 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 1874720058 FYCVCBIQPUNMNH-UHFFFAOYSA-N 488.544 4.251 10 10 JICE CCOC(=O)c1c(C(C)(C)C)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079848931 PIZBXUMEVDYJII-LLVKDONJSA-N 472.323 4.285 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 2296703466 ROCULJZWSQOZGC-HNNXBMFYSA-N 450.589 4.031 10 10 JICE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2 2296945875 PNKTVTBGFOBKSO-UHFFFAOYSA-N 455.436 4.071 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314836381 DTWSCIFGFPGUSB-AWEZNQCLSA-N 472.588 4.418 10 10 JICE Cc1ccc(CNC(=O)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380737281 MFDNAYJTTPFCDS-GFCCVEGCSA-N 451.308 4.018 10 10 JICE CC(=O)N1C(=O)/C(=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)c2cc(Br)ccc21 33333644 PSCFFKQPMWIADF-FOCLMDBBSA-N 476.739 4.448 10 10 JICE CCCOC(=O)CN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)SC1=S 33378443 BSHYPYBRRHJMBZ-NTEUORMPSA-N 474.398 4.011 10 10 JICE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21 33457521 TUMNMLNZTZWKRJ-VYVDHXHBSA-N 490.585 4.303 10 10 JICE Cc1ccc(N2C(=O)/C(=C3\C(=O)N([C@H](C)C(=O)O)c4ccccc43)SC2=S)cc1Cl 33553107 WAKTUHGEJWAWOI-QZAQEVDKSA-N 458.948 4.244 10 10 JICE Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 46141425 AGAYXVJCPUHYJA-UHFFFAOYSA-N 472.567 4.457 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210721052 KODFLRZIQXZWSJ-XSFVSMFZSA-N 472.588 4.420 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 213165572 XCRUHGZTFADHQV-RGEXLXHISA-N 481.599 4.341 10 10 JICE COc1ccc(Nc2oc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)nc2C#N)cc1 213216741 MXLQVJYZBFRBDT-OCKHKDLRSA-N 492.538 4.429 10 10 JICE Cc1cc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 730770186 YKIRLAYMZIZSSC-HSZRJFAPSA-N 478.980 4.311 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(Oc5ccccc5)ccc4[nH]3)CC2)cc1 1866540241 WEPZIPMFBNAOKO-UHFFFAOYSA-N 455.514 4.291 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867366931 OYHQXZSTNKATKH-QHCPKHFHSA-N 471.045 4.258 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970347 NNWMLDUESABGJY-UHFFFAOYSA-N 498.587 4.172 10 10 JICE CCOC(=O)CCCOc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870797665 FSCMILKCZXDFMU-HXUWFJFHSA-N 479.577 4.307 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515040 HJZVBUIUMXXEFA-UHFFFAOYSA-N 499.594 4.166 10 10 JICE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1962881794 NVBCEIFRLGUPFA-UHFFFAOYSA-N 460.530 4.074 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080023688 DDCRBAKHYDBAOZ-GOSISDBHSA-N 452.292 4.281 10 10 JICE Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 2297548866 FHCRRAYQSPXYON-UHFFFAOYSA-N 460.559 4.467 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 2313556812 LOSGVDFSQUKENB-UHFFFAOYSA-N 470.481 4.247 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 2313682595 GWMZTQVFCFOJLX-UHFFFAOYSA-N 472.501 4.427 10 10 JICE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314766572 AXECTDPTGFUFIW-QFIPXVFZSA-N 496.610 4.105 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)N=c3[nH]onc3-c3cc(C)ccc3C)C2=O)cc1 2314817704 WRNKVXVZCYRDSC-UHFFFAOYSA-N 494.598 4.014 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1)C(=O)O 2314930983 KKYXWZCMQOELNK-INIZCTEOSA-N 476.963 4.128 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc(O)c1 1792453 XKHYENLXUFEHRD-MHWRWJLKSA-N 463.378 4.385 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33468508 ZYQOKLULUGOBSP-NBVRZTHBSA-N 456.637 4.385 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152188 DTKDSGAHCQXLJT-AQTBWJFISA-N 457.533 4.224 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 96663552 PCEBHPIBLQAMAD-XXPKISFKSA-N 460.924 4.268 10 10 JICE C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)/C(=C/c2cccs2)SC1=S 103040339 VNSGDEYDWXKDRT-HIPMGEKLSA-N 459.593 4.317 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 210497123 CSORXQCEMSHNGH-LFIBNONCSA-N 478.498 4.216 10 10 JICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1 254846924 RDJDDJZFAHQVDO-RUZDIDTESA-N 469.635 4.446 10 10 JICE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 727620551 BDBSBRULDYHHEE-UHFFFAOYSA-N 459.506 4.363 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(=O)OC(C)(C)C)c3)c2)CC1 1523225512 XUSLAGBWKMMRJF-UHFFFAOYSA-N 452.555 4.263 10 10 JICE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705731084 RWWRNHPHZBNGRM-ZJSXRUAMSA-N 479.625 4.185 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866205022 RWHBPNQWZKNVAD-RTWAWAEBSA-N 492.597 4.341 10 10 JICE COCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870846023 VVCMIFTYKJUCFS-UHFFFAOYSA-N 479.577 4.428 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(COc5ccccc5OC)[nH]c4c3)CC2)cc1 1872797975 BZQDCJSECBGHHH-UHFFFAOYSA-N 472.545 4.122 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426345 URLIRDMFMMKQAF-UHFFFAOYSA-N 481.556 4.261 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCCC3)ncnc21 1873549560 QLEPZMCUECUYOE-UHFFFAOYSA-N 476.625 4.193 10 10 JICE COc1ccc(Br)c(CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1O 2236043102 IBTYGYIFKOZTAY-JTQLQIEISA-N 457.287 4.099 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=Cc2ccc(OC)c(OC)c2OC)cc1 2297311025 SISIMRRMEWPJRO-UHFFFAOYSA-N 489.484 4.464 10 10 JICE CCc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347460 RYVJNMNJSCYSKP-UHFFFAOYSA-N 461.518 4.474 10 10 JICE COc1cc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc(Br)c1O 2323866165 YLCRPLBFMBHNOD-AWEZNQCLSA-N 494.388 4.060 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccc(F)cc2)cc1 11730658 SSDIMZZWRCYSIF-UHFFFAOYSA-N 473.327 4.251 10 10 JICE COc1cccc2c1OCC(/C=C1/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 33515929 BZTSGBVECXXRBW-DEDYPNTBSA-N 491.594 4.218 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989739 ZAPHLDSXCJKLDR-QJHUTNDBSA-N 458.653 4.142 10 10 JICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 72413283 KVZADQVWVOMMIN-DEOSSOPVSA-N 475.520 4.470 10 10 JICE O=C(CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 210699656 IKZMSXQINFKPCZ-WOJGMQOQSA-N 451.529 4.096 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)c2)CC1 1523224720 PRHYQRHZJMWYTE-UHFFFAOYSA-N 456.518 4.094 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccccc3[nH]2)sc(C)c1-c1ccc(C)c(C)c1 1860749174 WFIZHUILIKRWBO-UHFFFAOYSA-N 490.585 4.301 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860761404 UJLUOEIGUJRTMS-UHFFFAOYSA-N 480.586 4.433 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011230 RZQIUJCRROTGHV-HSZRJFAPSA-N 488.588 4.380 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019049 UVVWDRLKADIMME-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864023432 YVHJLERGOBLRID-SUYBPPKGSA-N 494.514 4.113 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265968 VIBFWLWIEMUVGA-OAQYLSRUSA-N 468.509 4.017 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873165099 BPSYTDGFIBJSAE-UHFFFAOYSA-N 477.008 4.179 10 10 JICE CCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168981 SPNKEWVZOUSGME-UHFFFAOYSA-N 457.574 4.479 10 10 JICE CN1CCCc2cc([C@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917165808 ZEVZEZFNGPPKIQ-UIOOFZCWSA-N 472.541 4.094 10 10 JICE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1cc(Br)cc(Br)c1O 1952458146 VBJJQNHBCDSUIU-ZDUSSCGKSA-N 450.171 4.189 10 10 JICE O=C(N[C@@]1(c2cccc([N+](=O)[O-])c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762390 LPXLPTMXPHUMFI-NBGIEHNGSA-N 460.442 4.139 10 10 JICE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2296846602 BQQOYBRQBXEMSM-UHFFFAOYSA-N 492.557 4.440 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 2297341067 OCYCVRZNINMMTK-UHFFFAOYSA-N 498.586 4.101 10 10 JICE CC(C)(C)c1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2323840223 AWTRPXMLIPMCJG-UHFFFAOYSA-N 460.646 4.075 10 10 JICE CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c1 6573632 RSVVQLBXPWCUCS-UYRXBGFRSA-N 493.497 4.093 10 10 JICE CCc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1-c1ccccc1 10174930 OQLPUPONTCFGNY-UHFFFAOYSA-N 468.538 4.336 10 10 JICE Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2cccc(Br)c2)C(=O)N=C1O 33457528 KLTUDRTXWGIJJR-UNOMPAQXSA-N 470.323 4.101 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccccc2)cc1 39919753 YTIWQEGEJNMWPQ-QHCPKHFHSA-N 450.926 4.083 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(C(F)(F)F)cc4)c3[N+](=O)[O-])CC2)cc1 40611268 SDMWCOBTKCXXRY-UHFFFAOYSA-N 474.443 4.482 10 10 JICE CCN1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 102863499 KCSVTJNVJKGBQT-RVDMUPIBSA-N 488.388 4.470 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F 103920291 NOLRBRKFOITZOE-XDHOZWIPSA-N 478.383 4.145 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 104896091 RFGXZYFKVKPJTK-RJGXRXQPSA-N 469.468 4.138 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)c([N+](=O)[O-])c1 1084484586 XHWJALZNHWZRIT-WOJGMQOQSA-N 461.430 4.147 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@@H](c4ccccc4C)N(C)C)nc3C)CC2)cc1 1858128155 WXOGMBDALIYJKY-HSZRJFAPSA-N 464.635 4.382 10 10 JICE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)N(C)C)cc1 1858593949 FLHXPOQSBSGKLC-LANLRWRYSA-N 458.605 4.217 10 10 JICE CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860265037 KFINZZFZEIEEOT-INIZCTEOSA-N 470.953 4.134 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN(CC)CC)sc(C)c1-c1ccc(F)cc1 1860758132 BYBQYISZTIZNMF-UHFFFAOYSA-N 477.602 4.216 10 10 JICE CCCC[C@@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949563 OYCZPZILXJNGLB-XMMPIXPASA-N 472.029 4.305 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027741 KIEBYCKAGHBKTO-JLCFBVMHSA-N 494.979 4.198 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033218 UVFBRZADPFHUMV-HSZRJFAPSA-N 490.604 4.248 10 10 JICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N([C@H](C)CC)C2=O)CC1 1873162187 JPFPLAGZZUKMCP-GOSISDBHSA-N 492.620 4.183 10 10 JICE O=C(N[C@@]1(c2cc([N+](=O)[O-])ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952777186 YKYVAYYNDMFMDX-PXDATVDWSA-N 460.442 4.139 10 10 JICE COc1ccc(Cn2nc(C3(C)CC3)c(C(F)(F)F)c2I)c(O)c1 2079717184 RTVCHUUFWLGCNP-UHFFFAOYSA-N 452.214 4.321 10 10 JICE Cc1c(C(F)(F)F)nn(Cc2cc(Br)ccc2O)c1I 2079820255 IBPPJXVZPRMZQR-UHFFFAOYSA-N 461.019 4.331 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 2297347470 USJYGHZTQAHCJX-UHFFFAOYSA-N 498.333 4.366 10 10 JICE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 33370393 NGIMMHSTXGPSEJ-PXKHIBQASA-N 481.599 4.050 10 10 JICE Cc1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 33414373 ZPJVCGCFJQVACQ-OCKHKDLRSA-N 474.429 4.238 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33781105 SMRPPTQEXXZQJT-AQTBWJFISA-N 454.621 4.137 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3Br)c3ccco3)CC2)cc1 38598222 PZUABVHXJUSSBG-JOCHJYFZSA-N 484.394 4.344 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 40562660 GBNFICRUGGYTGE-ZHZULCJRSA-N 466.632 4.080 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152183 KUKDIFPHQLSLGX-AQTBWJFISA-N 485.543 4.002 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)/C=C2/SC(=O)NC2=O)cc1 101453497 GZWQRMWJOQZOSK-GQBVICOWSA-N 470.554 4.450 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210728557 DECAPJHUOGUCJP-LTGZKZEYSA-N 498.626 4.228 10 10 JICE O=C1C[C@]2(C(=O)Oc3cc(O)c4c(ccc5cc(O)c(O)cc54)c32)c2ccc3cc(O)c(O)cc3c21 248068918 XESVOVUCORQWQK-NDEPHWFRSA-N 480.428 4.466 10 10 JICE biogenic CCCCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261365068 PTDIBXHOFMVSMF-HSZRJFAPSA-O 450.588 4.008 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008238 GNHWIIALKPDNAS-CRICUBBOSA-N 496.567 4.223 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865031724 MXADQGPDURDWSV-VGOFRKELSA-N 488.588 4.467 10 10 JICE CCOc1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1OCC 1871305992 TWYOTWZLJBNZGD-UHFFFAOYSA-N 494.552 4.261 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873167624 PVGGERVKPBQYLN-UHFFFAOYSA-N 497.643 4.235 10 10 JICE COc1ccc(C(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874720148 JKGXNOAIERPZJF-UHFFFAOYSA-N 473.573 4.351 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079016893 URUHVXWTPLEKDM-OAHLLOKOSA-N 452.292 4.251 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F 2297358669 HLRWKTXKAXVYNC-UHFFFAOYSA-N 460.461 4.075 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560009 FVSRKRBIYSJESQ-UHFFFAOYSA-N 471.513 4.279 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(Cn3cnnc3)cc2)cc1 2313682822 LLJZMYVWOIJTSR-UHFFFAOYSA-N 494.555 4.481 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 2314831275 HIDCXQMIBZWRHC-UHFFFAOYSA-N 476.551 4.169 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314837772 WNMSROCXWAFYOF-ZDUSSCGKSA-N 458.536 4.231 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139803 UXFAWOBYHBXZGH-UHFFFAOYSA-N 465.550 4.147 10 10 JICE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)c(C)c1 14457829 WNNRKLXFSYZPRU-VVZHRXSXSA-N 451.636 4.374 10 10 JICE CCOC(=O)C1CCN(c2cc(NCCCN(C)C)c3c4c(onc24)-c2ccccc2C3=O)CC1 20322470 BKQPEJKWSKGKLQ-UHFFFAOYSA-N 476.577 4.182 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33362077 MUMRBURPCPUQMZ-XDHOZWIPSA-N 494.598 4.037 10 10 JICE O=C(COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1)Nc1ccc(F)cc1 33442518 NUUWBSZYBQQCMI-BKUYFWCQSA-N 477.423 4.489 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccco4)C(=S)N=C3O)o2)cc1 33458412 CYQQRRVLIPOCHA-LDADJPATSA-N 450.472 4.384 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCCCOC(C)C)nc12 33574701 ZQQYUJCIRNAMOJ-XMHGGMMESA-N 486.663 4.374 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1 35625087 HGNAZZKMRNSRGN-YBFXNURJSA-N 456.545 4.044 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCCSc2nccs2)CC1 1741011186 LCBFNKOAMRBWHR-UHFFFAOYSA-N 474.631 4.170 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc4c(-c5ccccc5)cc(=O)oc4c3)CC2)cc1 1860251470 ZOVYJXRKSYVQKF-UHFFFAOYSA-N 470.525 4.196 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1860761573 ZANAQDUMCPCVFY-UHFFFAOYSA-N 450.560 4.424 10 10 JICE CCc1sc(NC(=O)C(=O)NC(C)(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763257 BDMGAILAKPAGFG-UHFFFAOYSA-N 467.385 4.380 10 10 JICE CC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868688642 HHBHEZLMELHVBT-KAYWLYCHSA-N 477.649 4.439 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2293993105 COXXQGDIEWHETL-UHFFFAOYSA-N 488.471 4.418 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccccc1 2294094849 ADVYVLAVBRUMJW-UHFFFAOYSA-N 482.471 4.086 10 10 JICE COCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)c(OC)c2)SC1=S 2296539360 QUJDVEHVAHRMOL-UHFFFAOYSA-N 485.583 4.170 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 2297347718 WPWLLNOSUKJARY-UHFFFAOYSA-N 477.517 4.229 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1)C(=O)O 2314927052 YENVLQKJAGHVFG-QGZVFWFLSA-N 457.529 4.341 10 10 JICE CCOC(=O)C1CCN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1 4128340 STLMTYGXTGFASS-UHFFFAOYSA-N 477.517 4.095 10 10 JICE CCOc1cc(Br)cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)c1O 6386916 HWNSOQAKZCKYHI-VIZOYTHASA-N 451.367 4.350 10 10 JICE COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 20236464 OIARRZCWRNVZMS-YUIYYNKLSA-N 463.490 4.002 10 10 JICE CCOC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 33457540 SPWAWRMUWMBTHU-UDWIEESQSA-N 457.573 4.347 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCCCC3)nc12 33528804 YUFPYHNNEWYILO-MCRQTXEHSA-N 484.647 4.128 10 10 JICE O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F 34681595 BFLINSZGQJNDHH-UHFFFAOYSA-N 456.468 4.381 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 38198832 SJHJWNHVMPQADC-LFYBBSHMSA-N 499.785 4.399 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3SC)c3ccco3)CC2)cc1 38598131 JHYFIASUEWNACB-QFIPXVFZSA-N 451.592 4.303 10 10 JICE CCOC(=O)N1CCN(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 97513926 IQPUSDYVKIJKGW-ZCXUNETKSA-N 485.672 4.058 10 10 JICE CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1N 254856371 OZUCAGLPDCFVRI-UHFFFAOYSA-N 498.638 4.099 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526549097 ABGOJGILVBCQNV-JOCHJYFZSA-N 455.413 4.450 10 10 JICE CCOc1c(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cccc1OC 1084060523 YYQUSTCGOKDAJT-RVDMUPIBSA-N 473.323 4.140 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cc2)CC1 1616253054 ZKPWCYDRYVTJLG-OAQYLSRUSA-N 453.652 4.498 10 10 JICE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc2c(c1)CCCN2C 1705842558 QDAHWLYVIZAIQE-UHFFFAOYSA-N 480.657 4.446 10 10 JICE O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2c3c(c4ccccc42)CCC[C@@H]31 1858183580 LQIWRBZVXVUBKB-DEOSSOPVSA-N 463.603 4.349 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c4c(c5ccccc53)CCC[C@H]42)cc1 1858183582 LUGZBRUKWYFPPW-HSZRJFAPSA-N 451.592 4.205 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cccc21 1858606953 CEXHBZRRIPDGKI-UHFFFAOYSA-N 491.377 4.444 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864017182 HLDVQOZDCIIYJM-JOCHJYFZSA-N 476.577 4.155 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864022137 UKAIKRHMZLGZQO-ZHRRBRCNSA-N 476.577 4.085 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869153461 VPPDAUVTNKFMMA-NRFANRHFSA-N 459.594 4.012 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCCN(C)C)C2=O)cc1 1873169735 FYSLABSSMXZOMW-CYFREDJKSA-N 462.638 4.294 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873170945 XOFZRYFUSXZAEH-UHFFFAOYSA-N 496.655 4.491 10 10 JICE CCN1CCc2cc([C@@H](NC)[C@@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2106851057 PIDFUIBCBRGSOO-ILBGXUMGSA-N 452.643 4.355 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)OC(C)(C)C 2106876843 GRNSEQFHHBVENH-UZLBHIALSA-N 460.619 4.302 10 10 JICE CC(=O)Nc1ccc(OCCOc2ccc(C=C3C(=N)N4C(C)=CSC4=NC3=O)cc2)cc1 2297347349 TYALWNPZTJYEHU-UHFFFAOYSA-N 462.531 4.270 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2297364235 DFHLCXXIEYPTOL-UHFFFAOYSA-N 462.889 4.419 10 10 JICE CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)NC1=S 2313656534 AEWQRLOLDWJVHV-UHFFFAOYSA-N 467.978 4.410 10 10 JICE CN(C)c1ccc(C=c2sc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3c2=O)cc1 2326210331 DYHYAAQHKNBDHB-UHFFFAOYSA-N 484.425 4.469 10 10 JICE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 843392 ZGSFUXVHIFFSGB-XKZIYDEJSA-N 477.904 4.339 10 10 JICE CCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1C(=O)O 33007077 UPOAYKKNCPETQA-UHFFFAOYSA-N 495.601 4.083 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)NCCCc3ccccc3)c3ccco3)CC2)cc1 38620024 XJFXHSKVACIBAS-VWLOTQADSA-N 462.594 4.084 10 10 JICE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990200 PNJNTPJWQWJTLB-UYRXBGFRSA-N 458.653 4.428 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565538577 PMFNJYLCLWZXBA-DVECYGJZSA-N 454.611 4.090 10 10 JICE CCS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCO)C[C@H]3CCCO3)cc2C)c([N+](=O)[O-])c1 1615944294 HFHUPSAJMSZGFN-IUBFCHALSA-N 476.555 4.090 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)N2CCCC2)cc1 1858907724 AFMGFGITNGGULB-UHFFFAOYSA-N 469.497 4.378 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc(C)c1-c1ccc(Cl)cc1 1860759572 XHKQJEUKBUTQJK-UHFFFAOYSA-N 457.939 4.204 10 10 JICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013197 RYAHJNIUGFQAHM-OAQYLSRUSA-N 496.995 4.168 10 10 JICE COc1ccc(-n2nc(C)c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C)cc1 1874179789 PNVSKQKOCCUKAA-UHFFFAOYSA-N 465.509 4.454 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541967 YWOSSKMTUSOWCT-CALCHBBNSA-N 470.664 4.487 10 10 JICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c(C)c1 2297352880 UGNMNJGVGJHTAR-UHFFFAOYSA-N 489.601 4.434 10 10 JICE O=C(O)CCN1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842118 AHMJCWAPWMNIJD-UHFFFAOYSA-N 476.963 4.033 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Br)cc2)N3)CC1 13638816 AEUPQYUTIVGIOW-MZKRTTBSSA-N 488.451 4.212 10 10 JICE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 20356366 JAWCXEPMTALJIX-NLPPSYTOSA-N 462.579 4.165 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 20356477 PTVAZGYKLFKVSP-WKCGMSKDSA-N 450.543 4.296 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c1 34261652 WBPPMPFJFQSSLI-YBFXNURJSA-N 465.556 4.142 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=S)N=C2O)c(Br)cc1O 38187669 ZSJZZEOJDPHPRZ-QPEQYQDCSA-N 461.337 4.452 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 39874913 YTQPNYJHXNCKEY-YVLHZVERSA-N 455.586 4.453 10 10 JICE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1C 83295426 AKKDHDQZOPVRLQ-KQWNVCNZSA-N 473.485 4.131 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 213154196 QCTWXUOLRNBLHM-JXAWBTAJSA-N 485.562 4.254 10 10 JICE C[C@@H]1CN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586709328 QRTYJPAXESMZMO-IAGOWNOFSA-N 483.524 4.355 10 10 JICE NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c1 728878344 YHHUKLJNFBJONM-UHFFFAOYSA-N 486.503 4.415 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705714744 ZWDJKGYKOTVKRT-UHFFFAOYSA-N 460.626 4.308 10 10 JICE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012478 AJFZNTDBQRSMMV-OYHNWAKOSA-N 494.567 4.044 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(C(C)(C)C)cccc3c2=O)c2nccn2C)cc1 1866434492 DRHSBUGICNXKRM-JOCHJYFZSA-N 457.578 4.145 10 10 JICE CC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914607 YNQKMGJKTVKUSY-QFIPXVFZSA-N 493.519 4.193 10 10 JICE COc1ccc(N2CCN(c3cc(N(CCO)Cc4ccccc4)nc(-c4ccccc4)n3)CC2)cc1 1867973558 ZJJDDBDZJHOXBJ-UHFFFAOYSA-N 495.627 4.478 10 10 JICE CCN(CC)CCCN1C(=O)C(NC2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165837 TVKMMDAJBPSPPQ-UHFFFAOYSA-N 462.638 4.438 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080030380 LWVSXBRHAURZSR-INIZCTEOSA-N 482.318 4.341 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080032676 GOPRGXHDJWVCBQ-IBGZPJMESA-N 468.335 4.351 10 10 JICE Cc1ccc(OCCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)c1 2297352616 GPNYDDREEMRQQE-UHFFFAOYSA-N 476.606 4.247 10 10 JICE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2318683272 ATDDIKJNWSXMEM-LLVKDONJSA-N 460.371 4.008 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14460935 MTIUTFMQKYSOKB-GSHUGGBRSA-N 491.407 4.002 10 10 JICE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15048001 KTNCLWOIMJGNFF-DABDWFRDSA-N 464.568 4.174 10 10 JICE N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 32964439 HZJGJMMXSWRBPV-VKXGLNTFSA-N 456.487 4.247 10 10 JICE CCOc1c(Br)cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 33413666 ALXPVMHXFSNRBS-WUXMJOGZSA-N 469.694 4.110 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33720719 QTVVSSPQWRHVTI-NBVRZTHBSA-N 483.640 4.392 10 10 JICE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990407 NYTICWJJNOABCF-VUFYJBQKSA-N 458.653 4.286 10 10 JICE Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)sc12 65081409 GOPNRJPVYXDRDW-FQEVSTJZSA-N 474.634 4.389 10 10 JICE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101141510 FXZGXLIDYOHAJA-KQWNVCNZSA-N 452.580 4.197 10 10 JICE Cc1cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1ccccn1 106070861 WEKNYDHXDPSGFB-UHFFFAOYSA-N 485.554 4.450 10 10 JICE CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)ccc1Cl 111848722 QPOJCYJILAGTOY-ZDLGFXPLSA-N 490.990 4.365 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3NCC(F)(F)F)c2)CC1 1567652620 JGHQEHASRZWPPM-UHFFFAOYSA-N 454.880 4.235 10 10 JICE COC(=O)c1ccc(COc2cccnc2NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 1858862917 MPMAHTGLHQTGTI-UHFFFAOYSA-N 497.463 4.460 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864011589 VZQAIGDHUXPURX-QKKBWIMNSA-N 496.995 4.499 10 10 JICE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864014402 ULPBXHVHUSEAPX-DEOSSOPVSA-N 496.567 4.362 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3c(Cl)cc(Cl)cc3[nH]2)c2nccn2C)cc1 1866542587 LSVLZLBNAXSFOS-NRFANRHFSA-N 470.360 4.154 10 10 JICE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873164972 BFMLNOUXXAJXFK-UHFFFAOYSA-N 487.600 4.397 10 10 JICE O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016953 IWKRLBZUZULHDP-UHFFFAOYSA-N 485.499 4.478 10 10 JICE CCc1nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079125331 NSOXZLFRPWKCPM-INIZCTEOSA-N 454.308 4.240 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 2296881617 RJWWCSPLGJHESL-UHFFFAOYSA-N 468.556 4.267 10 10 JICE Cc1cccc(OCCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 2297352822 ZTTHRZQBTWMUPY-UHFFFAOYSA-N 476.606 4.247 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2313558065 RVNUABRGFOHOHK-UHFFFAOYSA-N 477.286 4.052 10 10 JICE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2314413800 IEIGJJUNPUXCPS-UHFFFAOYSA-N 494.642 4.243 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 15040023 NPHSGLXMRJREIR-UNOMPAQXSA-N 465.556 4.486 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 20154824 WTEYVWREUIMVCM-MLDLNWIHSA-N 496.570 4.253 10 10 JICE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 33781539 ZSRLUUKTFVRXGU-SMEDBKPVSA-N 494.617 4.471 10 10 JICE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1O 40940661 QQYCUMZJIAZPGB-OQLLNIDSSA-N 479.377 4.018 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccc(F)cc1 62694823 FKAHVUQXBVKSIJ-UHFFFAOYSA-N 490.000 4.076 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 210710628 FDEVIPMFUPRTKN-QGOAFFKASA-N 458.561 4.030 10 10 JICE CCc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 1084024286 GJINCXZKNLBLRS-WJDWOHSUSA-N 474.380 4.036 10 10 JICE Brc1ccccc1-c1nnc(N2CCOCC2)n1CCCSc1nccs1 1538960151 SOETZZYQXHHUTN-UHFFFAOYSA-N 466.430 4.183 10 10 JICE O=C(O)Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1-c1cccs1 1858003947 CSUVHDJKKFGQQB-UHFFFAOYSA-N 459.368 4.062 10 10 JICE CC[C@](C)(NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862205505 RBBIFUMZOAPVTR-PIKZIKFNSA-N 481.637 4.220 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013720 ZHDKQCHSTDNEEG-HSZRJFAPSA-N 490.604 4.152 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025982 HDSLEGCZWYOFGP-JOCHJYFZSA-N 494.979 4.012 10 10 JICE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2053512166 UQPZIGZCGYEMGX-HNNXBMFYSA-N 450.589 4.479 10 10 JICE Oc1ccc(F)cc1Cn1nc(Br)c(I)c1C(F)(F)F 2079145671 PUUARVJZZUAVQR-UHFFFAOYSA-N 464.982 4.162 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)N1CCC(Cc2ccccc2)CC1 2296881371 DICHOWCEEPOHHL-UHFFFAOYSA-N 494.638 4.488 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 2313549238 QPFQHGYGHSMHQC-UHFFFAOYSA-N 450.834 4.273 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314831066 BOYSAIGDVXWUPQ-UHFFFAOYSA-N 486.571 4.196 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@@H](C)C(=O)O 2314934832 KRLKLLLMHFBEBD-LBPRGKRZSA-N 473.528 4.072 10 10 JICE CCC[C@@H](NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330393120 ZGZCVHWWNPVJPJ-AREMUKBSSA-N 463.622 4.466 10 10 JICE COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1 1417335 BNJJVGPDAATDQX-UNOMPAQXSA-N 458.561 4.037 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11858066 KHRNNZQTZYYPOB-UHFFFAOYSA-N 473.576 4.062 10 10 JICE COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N2CCOCC2)cc1OC 20496541 QOBBXQALBVWPSO-ZDUSSCGKSA-N 455.338 4.253 10 10 JICE CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(c3ccc(OC)cc3)CC2)cc1 32961940 VOYDGSXMTNOBOR-UHFFFAOYSA-N 495.601 4.083 10 10 JICE CCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)s1 211917137 XQQIFOFXNKHJCG-MHWRWJLKSA-N 486.600 4.112 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@@H]32)cc1 253575162 UGTUXGGAZIUKFL-ZRBLBEILSA-N 457.526 4.208 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862148250 OZQCWYMLZIWUQO-GSJDOASHSA-N 475.633 4.346 10 10 JICE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013192 RXUAPRINJPRVOT-OYHNWAKOSA-N 494.567 4.044 10 10 JICE COCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420884 YOGZPTAJKCALKS-UHFFFAOYSA-N 472.589 4.389 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422028 BVOHVNWGCAQEHT-UHFFFAOYSA-N 490.991 4.384 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079023327 PJHDUHMNOJNMDO-LBPRGKRZSA-N 454.308 4.339 10 10 JICE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080001552 KJDVFCKCYQYKFP-KRWDZBQOSA-N 479.362 4.350 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1Cl 2293963653 KJDWJVSYKGVXEJ-UHFFFAOYSA-N 454.939 4.279 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 2294094890 CEHUTNOJSOMDAS-UHFFFAOYSA-N 493.903 4.121 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 15037758 CNRVQRYUDGLVPA-SXGWCWSVSA-N 468.478 4.347 10 10 JICE Cc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(O)c1 20898531 ZCYNFQPAOGBJPH-QHCPKHFHSA-N 464.525 4.224 10 10 JICE Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(I)o3)C(O)=NC2=S)c1 96470009 GFESNVGYWSOQQF-WQLSENKSSA-N 452.273 4.173 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210728508 UPTFZBAAOVBHCV-CAPFRKAQSA-N 484.599 4.441 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(N)cc4Br)o3)CC2)cc1 953041299 LKMBFYRYSURTFB-UHFFFAOYSA-N 456.340 4.262 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 1860345215 USUMNJHPFOWEPG-UHFFFAOYSA-N 465.469 4.121 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(C)cc1 1860749007 SNGQWWWFIHUNAB-UHFFFAOYSA-N 452.488 4.124 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCOC(C)C)sc(C)c1-c1ccc(OCC)cc1 1860762630 LXOVKVJFZKDBBI-UHFFFAOYSA-N 476.595 4.169 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CC3CCCCC3)CC2)cc1 1862106515 FIBODZJKGHSMRA-SANMLTNESA-N 481.612 4.181 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cccc(Br)c3n2)c2nccn2C)cc1 1866544914 ZBGUPOQFSWNWJO-HXUWFJFHSA-N 480.366 4.022 10 10 JICE CC[C@@](C)(NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867238914 FSMCVKJANLRTBY-NOVUIFNWSA-N 494.547 4.446 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992377 PPSVKTPUQHSYAW-NHCUHLMSSA-N 489.620 4.101 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccccn2)cc1OCCCO 1871265762 RGRGYJIFIGUNQI-UHFFFAOYSA-N 456.546 4.409 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2053511429 STTUNCQCZXGXKW-UHFFFAOYSA-N 464.616 4.206 10 10 JICE CC1=CC(C)(C)N2C(=O)C(=C3SC(=S)NC3=O)c3cc(OC(=O)c4ccccc4)cc1c32 2293735603 SJCDPAVCFDSUQI-UHFFFAOYSA-N 462.552 4.307 10 10 JICE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2296110194 GVYUQUMLKUTSBQ-UHFFFAOYSA-N 452.875 4.130 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc(Br)ccc2O)[C@@H]2CC=C[C@H]32)CC1 14461085 LJBBJQZNXOFFKN-JTUHZDRVSA-N 468.395 4.369 10 10 JICE CCOc1cc(/C=C2/SC(Nc3cccc(C(C)=O)c3)=NC2=O)ccc1OCCC(=O)O 16920073 HWCMZXDRAWQWMG-UDWIEESQSA-N 454.504 4.224 10 10 JICE CCCc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619248 KFCAKCMJUUWDSF-RUZDIDTESA-N 483.634 4.083 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526278179 VYKPEPLVINWLIP-QHCPKHFHSA-N 461.470 4.340 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526368423 SIDQSFGLKOQMFY-XMMPIXPASA-N 462.502 4.238 10 10 JICE COc1ccccc1[C@H]1C2=C(N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n31)c1ccccc1CC2 1084151453 KDIDPEFWYHIQNB-NDEPHWFRSA-N 493.632 4.393 10 10 JICE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)C(C)C)CC1 1705730276 GQDJCKAIJLUTIA-UHFFFAOYSA-N 490.652 4.250 10 10 JICE CN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc21 1859572783 HXAQVBOOAGHPRQ-UHFFFAOYSA-N 478.939 4.082 10 10 JICE O=C(Cc1ccccc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860507275 QJXFGYWGNQXNTK-UHFFFAOYSA-N 461.477 4.291 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029874 XFHUJSAETLCOSQ-HSZRJFAPSA-N 488.588 4.002 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865030323 HVAKMJHGBPGRRX-OAQYLSRUSA-N 470.614 4.390 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032445 CKAZRRXFFYYKSW-QHCPKHFHSA-N 490.604 4.498 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867808344 WUQPKXOGRYOPPQ-OAQYLSRUSA-N 490.570 4.022 10 10 JICE CCN(CC)CCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165485 KYVVLJVXDPOVAP-UHFFFAOYSA-N 494.680 4.311 10 10 JICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296727138 WYEINLMBESGJRJ-UHFFFAOYSA-N 465.556 4.224 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2297307169 POFIWARBDHRSEW-UHFFFAOYSA-N 464.547 4.428 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2297319193 NSUHVCAAEHBQPB-UHFFFAOYSA-N 484.599 4.492 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297511371 GBCIPMIVMIAZCM-UHFFFAOYSA-N 458.971 4.233 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314414215 SMRPPTQEXXZQJT-UHFFFAOYSA-N 454.621 4.137 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c2nccn2C)cc1 2324356891 NBSDHPOWRDLXLV-AREMUKBSSA-N 479.584 4.163 10 10 JICE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccs2)c(O)c1Br 2380746867 QQAUHEVRWPWWID-HNNXBMFYSA-N 455.374 4.407 10 10 JICE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15046530 QTJYNOZGYAXUFV-SYEOYNTFSA-N 468.478 4.345 10 10 JICE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C[C@H]4CCCO4)C(C)=C3C(=O)OC)c2C)cc1 33248370 DTCLHNIZXDJKIS-DGEAWOGYSA-N 464.562 4.344 10 10 JICE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C(C)C)C1=O 33413158 VCNAHPJPHSEBJG-SFQUDFHCSA-N 453.545 4.105 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1 39920759 VXRCUTGOTSYORL-QHCPKHFHSA-N 495.377 4.192 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413173 OOWUMMGRQLBQAA-RBUKOAKNSA-N 456.955 4.030 10 10 JICE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1084437617 IOSPHZKZNXEUPF-ZHZULCJRSA-N 463.534 4.463 10 10 JICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865031835 PGFHEBVEIPVXFQ-QFIPXVFZSA-N 488.588 4.324 10 10 JICE CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017284 MVQFFCSNJPFPLU-HSZRJFAPSA-N 495.535 4.429 10 10 JICE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C 2293772228 WEJUNMDVTUUGOR-UHFFFAOYSA-N 487.581 4.329 10 10 JICE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 2296398018 NMLHFCMVYLOCMO-UHFFFAOYSA-N 454.537 4.250 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Br)cc1 2296881716 XMJXKHRGVOUMHN-UHFFFAOYSA-N 491.388 4.408 10 10 JICE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314414145 QSQSCYDCQMBNNT-UHFFFAOYSA-N 474.652 4.233 10 10 JICE CCN(CC)CCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323831903 QBXMAAKVYSTHQN-UHFFFAOYSA-N 473.458 4.487 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1 8610251 MTXKHMLSLBWAIO-UHFFFAOYSA-N 493.677 4.237 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(I)cc3)N=C2C)cc(Cl)c1O 13914652 SSOXAWZPDSBFBN-AUWJEWJLSA-N 468.678 4.465 10 10 JICE O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccccc12 103040699 QTOVBWFKGOKASB-YBFXNURJSA-N 455.992 4.381 10 10 JICE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c1 526228720 LSCMLNLPPVBFCF-HSZRJFAPSA-N 479.485 4.189 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526381367 ILVDUEOQASCHQG-DEOSSOPVSA-N 479.485 4.189 10 10 JICE CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592743 WFQDFKHCWRWKGB-QZULDAKNSA-N 450.763 4.263 10 10 JICE CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217607 ILTCKKUPVJRARZ-DVECYGJZSA-N 488.028 4.140 10 10 JICE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1cccc(F)c1 1862313064 FCRGQEFGYZPMJL-UHFFFAOYSA-N 450.558 4.384 10 10 JICE CC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244204 WXRDCXKBBOPQGF-OPAMFIHVSA-N 480.520 4.056 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868274517 DJLHCRHTUCTCAN-HNNXBMFYSA-N 464.529 4.405 10 10 JICE CCCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857037 OVYPKOPOGXKGEV-SVBPBHIXSA-N 495.664 4.467 10 10 JICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCOC[C@H]3C)n2)cc1 1869335503 UVOLVZJCPVBLHT-OAQYLSRUSA-N 489.620 4.103 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1 1869969041 BGUURGBCDBHRSC-ONNFQVAWSA-N 487.391 4.109 10 10 JICE CCCN(CCC)C(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870888753 VNHIZIPTLJZFKE-UHFFFAOYSA-N 492.620 4.224 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1 1872872333 QUVOETZNXMRNDK-UHFFFAOYSA-N 461.518 4.453 10 10 JICE COc1cc(C=CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCc1c(C)noc1C 2042448224 NXHUTJRBQFKRGQ-UHFFFAOYSA-N 491.588 4.387 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079037116 DBKXHDXDYXSCID-ZDUSSCGKSA-N 480.224 4.307 10 10 JICE O=C1C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2296851515 MSYTWMXIVWGVEE-AWEZNQCLSA-N 483.546 4.006 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1Cl 2297364491 ZJGFXGQJCBIHNZ-UHFFFAOYSA-N 476.872 4.234 10 10 JICE CCCCOC(=O)CN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314740980 QLYHFDZCRZROKR-UHFFFAOYSA-N 474.398 4.011 10 10 JICE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314769717 UNCLZFBCIVSMMK-MRXNPFEDSA-N 494.388 4.279 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccc(F)cc1 2332141257 NENUNCPFUKCTJZ-UHFFFAOYSA-N 459.433 4.335 10 10 JICE O=C1/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 12998093 KFTFUXHSTPFCFE-LVZFUZTISA-N 476.627 4.129 10 10 JICE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 33529802 CGDSTDBLYFPFKE-LGMDPLHJSA-N 454.577 4.291 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1F 35962110 REWROKHUCGIICG-XMMPIXPASA-N 496.970 4.284 10 10 JICE CCSc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 39885907 ALWQJHYDMLGBBY-RAXLEYEMSA-N 450.636 4.189 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1nc2ccccc2s1 206726565 SSMHCVOYKJSAKI-QGOAFFKASA-N 471.604 4.386 10 10 JICE COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860597738 HMKHOJIPUXPEIW-FMIVXFBMSA-N 494.547 4.361 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)COC)C2)sc(C)c1-c1ccc(OCC)cc1 1860655661 SGKHJDROCUYNLY-GOSISDBHSA-N 488.606 4.122 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)sc(C)c1-c1ccc(F)cc1 1860747055 RGWXUTSVEYKYCC-UHFFFAOYSA-N 484.505 4.403 10 10 JICE COCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766751 VBUZUQCABHFHFT-UHFFFAOYSA-N 491.632 4.103 10 10 JICE CCN(CC)CCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164655 LGPNNMWMNAEZFY-UHFFFAOYSA-N 488.607 4.445 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cn(Cc4ccncc4)c(=O)c4ccccc34)cccc21 1874016992 JZYBPVZRHDFOCN-UHFFFAOYSA-N 485.499 4.473 10 10 JICE CN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCCN2C 2106862745 YJILAURWLVRCDA-XMMPIXPASA-N 452.643 4.356 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1 2293320656 HXRFUGUANPTARN-UHFFFAOYSA-N 472.497 4.128 10 10 JICE CC1=NN(c2ccc3nnc(C(F)(F)F)n3n2)C(=O)C1=CNc1ccc(Cl)cc1Cl 2296893885 AHJZSMNFMRDWFY-UHFFFAOYSA-N 456.215 4.168 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 2313656852 WWMZPJTXJABEPN-UHFFFAOYSA-N 477.420 4.305 10 10 JICE O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1Cc1ccccc1 7018687 QJEDCWHSEASSRX-VGOFMYFVSA-N 451.323 4.464 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641127 BTWXQYVUVRCUKH-BSRJHKFKSA-N 458.580 4.227 10 10 JICE O=C1/C(=C/c2ccccc2O)SC(=S)N1CNc1ccc(I)cc1 59372022 WBAVSFFIYZUXDY-DHDCSXOGSA-N 468.341 4.268 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 59858847 GBBUNSOSSIXHIP-JCMHNJIXSA-N 465.513 4.280 10 10 JICE COc1cccc(CCC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 62694709 LGYNCHRVSJTPLP-UHFFFAOYSA-N 477.580 4.202 10 10 JICE CCCCn1c(=S)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(N(CC)CC)cc3)C2)c1=O 101495504 OHURKDZVUPREGF-IBGZPJMESA-N 471.627 4.345 10 10 JICE COc1ccc(CC2=NN3C(=N)/C(=C\c4c(C)[nH]c5ccccc45)C(=O)N=C3S2)cc1OC 102640939 UEWYJUOBKFDRFX-VMGUOVNQSA-N 459.531 4.355 10 10 JICE COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCc1ccccc1 103419034 QJLIEMOOYAJBBI-OQLLNIDSSA-N 483.352 4.368 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526352161 XJKYEAWRDDCSAI-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033251 VQDIUCNFMHCMHM-HXOBKFHXSA-N 488.588 4.001 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CCC2 1866279492 XFFGDADAAYGTLE-INIZCTEOSA-N 467.591 4.005 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867842780 KRGVLZMGQUKYFT-RPLLCQBOSA-N 468.617 4.134 10 10 JICE CCc1ccc(COc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872721487 RGHOFGBHUQVESN-UHFFFAOYSA-N 466.603 4.348 10 10 JICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2040498053 AXHSNUHIYKYUIB-UHFFFAOYSA-N 486.663 4.375 10 10 JICE CC(C)(C)OC(=O)N[C@@]1([C@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106865471 HWKJQIQHLUXNEJ-SQHAQQRYSA-N 450.627 4.456 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](N=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124506819 BDNYQZYLBSOIHA-FQEVSTJZSA-N 456.591 4.237 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540793 UOFNITKUDZEPCR-IYBDPMFKSA-N 456.637 4.034 10 10 JICE CCN(C(=O)C=Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 2324534930 PURNQPPZUMCVIQ-FQEVSTJZSA-N 454.514 4.162 10 10 JICE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 1277013 SITBSXPDEXRZDH-SLDJAQPHSA-N 457.573 4.345 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1 20697011 COLROSMAGUYXFG-OASJLCFRSA-N 480.678 4.295 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5ccccc5C)nn4)C3)CC2)cc1 22485336 VGNSBJFCAXSDAJ-QFIPXVFZSA-N 471.605 4.026 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 59138764 QGLKAVKPIBZCQB-HAHDFKILSA-N 456.502 4.061 10 10 JICE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCN(C)C)C2=O)cs1)c1cccc(C)c1C 96935940 SBYXQJILENTESD-WQRHYEAKSA-N 460.650 4.207 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226634767 BTWXQYVUVRCUKH-PMAPCBKXSA-N 458.580 4.227 10 10 JICE CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1084244011 FWBKXSNCAFLNFZ-LPYMAVHISA-N 478.549 4.375 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)s3)sc2CCC(=O)O)cc1 1858035350 YTPLWJKBCVUEOP-UHFFFAOYSA-N 458.970 4.352 10 10 JICE O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 1859474012 OKFNXWRYDZHHLB-UHFFFAOYSA-N 477.325 4.296 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030849 SPNVKNILNYEDBG-OAQYLSRUSA-N 468.598 4.000 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 1868164306 IPLZTDJZQAMKEM-UHFFFAOYSA-N 494.956 4.298 10 10 JICE CCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870341112 KXHLCCRBMWZDPW-UHFFFAOYSA-N 465.569 4.307 10 10 JICE COc1cc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1951525905 XTODILLVLPQQPJ-NRFANRHFSA-N 463.486 4.031 10 10 JICE COCC[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OC(C)(C)C)C1 2157561967 FNRFZSGMJVPUBH-IBGZPJMESA-N 463.800 4.314 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 2323866104 QAXMCPZSHYXWQW-KRWDZBQOSA-N 457.573 4.381 10 10 JICE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21 14545748 RQTHEVPAIGPIBW-RXPSNABZSA-N 454.592 4.369 10 10 JICE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)cc1 20356503 IRKPEGLIETYEOK-BJRGRWSZSA-N 462.579 4.165 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)cc1 96322629 KLGLEXJSONLLDF-UHFFFAOYSA-N 492.022 4.173 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526332123 ADOAMRFOLOLIIC-XMMPIXPASA-N 476.485 4.131 10 10 JICE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccc2c(c1)OCO2 1860557382 BCCLYISYKYJJNZ-UHFFFAOYSA-N 491.459 4.090 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861944039 VYRDWACGFBPZOJ-OFMVJSOZSA-N 483.612 4.093 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019117 GQFFYZXLWMCUGX-QKKBWIMNSA-N 496.995 4.168 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032697 ILQJXQREWXVKEV-HXUWFJFHSA-N 482.968 4.062 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873164025 ISPCAKSBMKLVFJ-UHFFFAOYSA-N 492.579 4.438 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873169559 CVLDBNKWAUUATK-UHFFFAOYSA-N 457.574 4.479 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3cccs3)C2=O)cc1 1873170546 FAGLUAMDWPGFCK-UHFFFAOYSA-N 488.657 4.162 10 10 JICE CC(C)(c1cc(O)c(O)c(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952542887 LQMAOKYLLONSLB-HSZRJFAPSA-N 463.486 4.073 10 10 JICE CN1CCCc2cc([C@H](O)[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2121961604 ITJYGYPVFSDUSI-LITSAYRRSA-N 486.568 4.484 10 10 JICE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CC2 2205860163 WAGGQXQPIKYCOW-OAQYLSRUSA-N 472.630 4.398 10 10 JICE O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 2293641203 BDRWKIOJKJOYEO-UHFFFAOYSA-N 481.349 4.304 10 10 JICE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 2296807939 BGRIYOUHNGIYPO-UHFFFAOYSA-N 466.523 4.286 10 10 JICE O=C(O)CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 2297303286 AVWKYNUWDLCVSO-UHFFFAOYSA-N 468.339 4.498 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c2ccccc21 2314767980 JQKIKECOCKRRLG-GOSISDBHSA-N 452.557 4.231 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cc(C)cc(C)c4)c3)CC2)cc1 9490540 LLVDYSUGNSOYIE-UHFFFAOYSA-N 497.592 4.214 10 10 JICE CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc1OC 33410539 MZWWQTDGCXIAML-CPNJWEJPSA-N 498.557 4.185 10 10 JICE CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)OCC(C)C)C1=O 40888833 VYJBXUASGLZPLP-NVNXTCNLSA-N 458.399 4.248 10 10 JICE Cc1cc(C(=O)N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1-c1cccc(Cl)c1 108936463 KKFFJFMKRZGQBH-ROUUACIJSA-N 458.002 4.236 10 10 JICE CCCCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860345036 PIQCKOJCMWJQGR-UHFFFAOYSA-N 484.585 4.407 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862056232 UGJJXGMCLYJRDX-RUZDIDTESA-N 481.637 4.367 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865026760 AAKGNLBILXUZJL-XMMPIXPASA-N 488.588 4.057 10 10 JICE CC[C@H](C(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868839031 XBLWMHDACAOFCG-OZXSUGGESA-N 472.029 4.476 10 10 JICE CC(=O)NCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870995370 DBDJLJMDHZHHSV-UHFFFAOYSA-N 478.593 4.144 10 10 JICE COC(=O)c1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873921414 OFEOJQFACNCZQC-UHFFFAOYSA-N 492.535 4.390 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cccc(Br)c2O)[C@@H](C(F)(F)F)C1 2163253818 LYMJJKXLCXTMEL-STQMWFEESA-N 453.299 4.290 10 10 JICE CC(C)CCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945283 JJFWWTAAHSPFOW-UHFFFAOYSA-N 474.604 4.297 10 10 JICE CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 8891917 UBHQWYLQBAROFV-RUZDIDTESA-N 451.473 4.412 10 10 JICE O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 15034325 AHMJCWAPWMNIJD-BOPFTXTBSA-N 476.963 4.033 10 10 JICE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 20154838 HBYNEOHRNJNZDG-QWFXQQHISA-N 496.570 4.333 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CC=C[C@@H]32)CC1 20706104 KRIWCRHDUFGXDZ-XAEMIUIASA-N 452.942 4.462 10 10 JICE CCCc1cc(Sc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)n2ncnc2n1 33276034 GGDSVIUYFHZOIN-UHFFFAOYSA-N 483.604 4.034 10 10 JICE CN1CCN(c2ccc(CNC(=O)Cn3ccc4c(SCc5ccccc5)nccc43)cc2)CC1 33298623 LVSIXQUZPQMJAZ-UHFFFAOYSA-N 485.657 4.397 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 39861536 JREVEWJVEMEACP-WOJGMQOQSA-N 451.485 4.360 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCCc1ccccc1 40937901 HSIRFJQIWYCULH-PGMHBOJBSA-N 471.600 4.471 10 10 JICE O=S(=O)(O)c1cc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c(O)c2ccccc12 334161268 XSONXNYQDOLBFB-QURGRASLSA-N 474.472 4.313 10 10 JICE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727301556 AZIHREPQJXATIM-UHFFFAOYSA-N 450.627 4.454 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)c1O 1616514620 LEOWIHPUXFKFDX-UHFFFAOYSA-N 455.755 4.468 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)c1O 1654132929 IMZTXNXLFPJFNU-LRQRDZAKSA-N 450.551 4.018 10 10 JICE O=C1CCCc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc2N1 1859573024 ZITWIWWJMCAQLG-UHFFFAOYSA-N 478.939 4.447 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C(C)=C/c3cccc(Cl)c3)C(C)C)CC2)cc1 1868747695 WNYJGSDCWBWZSR-KRNATXNASA-N 470.013 4.242 10 10 JICE CCC[C@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868750202 HZPRPAXQLDWEEU-VSRFVYNTSA-N 470.013 4.386 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c4ccccc34)CC2)cc1 1871339207 NSALKZDZAIFJMW-UHFFFAOYSA-N 461.381 4.122 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421369 UFYRNLZYEZZORQ-UHFFFAOYSA-N 482.588 4.114 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)CC2)cc1 1874726187 IHFSTKHOWFQMMT-UHFFFAOYSA-N 488.544 4.251 10 10 JICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)c(Cl)c2)CC1 2220635080 YBFYJXXSNNHJKN-UHFFFAOYSA-N 469.026 4.093 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2294093769 NOADOKUCSHZHLO-UHFFFAOYSA-N 455.785 4.314 10 10 JICE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296732199 HOZBCNJCQYQMGA-UHFFFAOYSA-N 454.577 4.065 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2)c1 2297333747 MMWYXXMZCVJLIT-UHFFFAOYSA-N 468.560 4.093 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 2297347720 WWTHQUNXJZGGFW-UHFFFAOYSA-N 455.829 4.157 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 2313683019 PQTLRTJRUOVCQR-UHFFFAOYSA-N 473.283 4.009 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1811558 PMOAWJRBTKDRMH-FBKCMUNRSA-N 464.546 4.262 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 38619256 MGPUHXGJWLXGPS-RUZDIDTESA-N 483.634 4.253 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310923 JFZMVKPEPJLDOC-DENIHFKCSA-N 493.069 4.478 10 10 JICE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 208589394 PUDYQHXQEDHJKN-QBFSEMIESA-N 453.539 4.024 10 10 JICE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCC(=O)O)C2=O)cc1 210750851 DTCILRYRJDYNSO-OBGWFSINSA-N 462.637 4.337 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)NCc1ccccc1 210759735 MBQHQNOQJZQVGO-DEDYPNTBSA-N 456.589 4.176 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 526498289 CDEXORLHTNGAPW-AREMUKBSSA-N 488.540 4.390 10 10 JICE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 727375691 UCLXDNZEFSKSAQ-HHHXNRCGSA-N 492.664 4.224 10 10 JICE CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1567315586 UPQAWSVKKHZIMU-GXYBQNOFSA-N 458.630 4.046 10 10 JICE CC(=O)c1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1Br 1660907551 UASOYSRJVCRIJS-UHFFFAOYSA-N 451.386 4.071 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cn2)sc(C)c1-c1ccc(OCC)cc1 1860747923 BNSNHKSLWDGZDD-UHFFFAOYSA-N 471.510 4.410 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008371 JCZWUWJMRWCUHT-GKVSMKOHSA-N 496.567 4.472 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864009782 DKQDWANQPISZPS-SPLOXXLWSA-N 496.995 4.499 10 10 JICE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013196 RYAHJNIUGFQAHM-NRFANRHFSA-N 496.995 4.168 10 10 JICE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868686438 QFDHVAPEKYBFPU-LSYYVWMOSA-N 463.622 4.213 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871649251 WWTXXBMJKLGJMD-UHFFFAOYSA-N 496.059 4.440 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873420982 APBVIYNRLDOATM-UHFFFAOYSA-N 464.516 4.126 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)CC2)cc1 1874754643 LBUGDNFBYVAMDP-UHFFFAOYSA-N 461.537 4.482 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccn3)ncnc21 1875215374 IKWUDOIQNLMHSN-UHFFFAOYSA-N 499.619 4.210 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2040480430 PUPLVFHYAXRIKK-LBPRGKRZSA-N 472.327 4.383 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079047779 PASCOGGMZUBROF-ZDUSSCGKSA-N 452.214 4.012 10 10 JICE CCN(CC)c1ccc(CN(C(=O)C=Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 2296849739 KCJANJYNEUPMRD-QHCPKHFHSA-N 461.027 4.415 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12 2297365971 PKIUBSSYGUIDMZ-UHFFFAOYSA-N 468.376 4.266 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 2313548731 DGSJKLWGDMYUET-UHFFFAOYSA-N 473.323 4.140 10 10 JICE O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(F)cc1F)OC21C(=O)c2ccccc2C1=O 4201025 OQEPCWVNTPCEDO-NJYVYQBISA-N 493.849 4.313 10 10 JICE COc1ccc(N2CCN([C@H](c3ccco3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852634 PBWZCDHUUDBBKY-HXUWFJFHSA-N 477.546 4.270 10 10 JICE Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 33323278 NZHRRGJRJNRMPM-OVCLIPMQSA-N 459.401 4.397 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCC(C)CC3)nc12 33528814 XVANZZYMXGNANB-VHQFNSDXSA-N 498.674 4.374 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc5nc(C)ccc45)c3[N+](=O)[O-])CC2)cc1 40611299 ZGHJMNLGLAFVQI-UHFFFAOYSA-N 471.521 4.320 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 103040403 PILCSXZJUSJLMT-JVXNRYDGSA-N 472.327 4.383 10 10 JICE COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 103040839 HLEALHVANBIWGQ-PCXKXAPESA-N 465.600 4.125 10 10 JICE Cc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526389698 UUNYIECUAYAOMS-AREMUKBSSA-N 471.557 4.215 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2cccs2)n1 1860550192 QKBKLHFUOSPMCR-UHFFFAOYSA-N 453.479 4.423 10 10 JICE CCOc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1OCC 1860721420 SUCYDGXXODNPFU-UHFFFAOYSA-N 457.752 4.334 10 10 JICE CC[C@@](C)(NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867667150 CDIURNBMYIGSID-LITSAYRRSA-N 489.664 4.476 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1[N+](=O)[O-] 2296881476 JMFGPZZRUPLRQT-UHFFFAOYSA-N 478.349 4.197 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(Cc2ccccc2)CC1 2330188799 MNCTYLXLMGEGAZ-UHFFFAOYSA-N 453.587 4.137 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)cc1 2330481627 VUIKKBAPOFTTDN-UHFFFAOYSA-N 463.622 4.250 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8646930 HESDYTDEHSTFOZ-DEOSSOPVSA-N 498.898 4.445 10 10 JICE COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 33862173 XNMAMNFKEDNZPI-NLEVOZIKSA-N 465.531 4.329 10 10 JICE CC1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)c[nH]3)cc2)CC1 731016821 PHRNSSZRDMXKHZ-UHFFFAOYSA-N 470.570 4.121 10 10 JICE CCOc1ccc(CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860589523 MQUFHJUQVRNEDM-UHFFFAOYSA-N 496.563 4.281 10 10 JICE CCC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868999645 PQJTZZDDGOEQFI-YADARESESA-N 472.029 4.476 10 10 JICE CC[C@@H](C)N1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167538 LTDDOXJDCWDORW-LJQANCHMSA-N 450.627 4.294 10 10 JICE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)C1 2124506477 XRZGLWUQECZZNZ-HYBUGGRVSA-N 456.591 4.095 10 10 JICE Cc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296715282 DWCRUZQKPUPUEV-UHFFFAOYSA-N 464.616 4.472 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)N1CCN(c2nsc3ccccc23)CC1 2296885351 QIDYIHQKEGJORZ-UHFFFAOYSA-N 494.667 4.236 10 10 JICE CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)sc2c1CCCC2 2297510472 QQPAHRQOBFIBGC-UHFFFAOYSA-N 473.938 4.036 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc(Br)c1 2313682330 AEAYCAJDVNLMMG-UHFFFAOYSA-N 458.312 4.110 10 10 JICE C[C@H](NC(=O)[C@H](C)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314836270 CFDSSAQFKPUBJM-KBPBESRZSA-N 464.568 4.172 10 10 JICE COc1cccc(C=CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 2321936856 QRSFYERXPDTJCB-UHFFFAOYSA-N 494.547 4.361 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 2323866105 QAXMCPZSHYXWQW-QGZVFWFLSA-N 457.573 4.381 10 10 JICE COc1ccc([C@H](CN2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)N(C)C)cc1 2323880105 SAQMTBOWCPAEQM-IBGZPJMESA-N 458.605 4.217 10 10 JICE CCOc1cccc(CN2C[C@H](NC(=O)c3cccc(-c4ccc(F)cc4)c3)C[C@H]2C(=O)OC)c1O 14885657 NVBKCXFCUOJRTN-RPWUZVMVSA-N 492.547 4.143 10 10 JICE COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 15056078 WEPVFFVVRFHFBV-NDENLUEZSA-N 450.541 4.355 10 10 JICE COc1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 20247728 SKWRBUNQPFHEDU-UNOMPAQXSA-N 481.511 4.410 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(N5CCC(C)CC5)cc4)no3)CC2)cc1 33283491 RHSUSAKUUSPVHP-UHFFFAOYSA-N 489.620 4.263 10 10 JICE COc1ccc([N+](=O)[O-])c(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c1 96860815 VPACPFYVNPIJPH-RIYZIHGNSA-N 462.281 4.038 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H](OC)C(F)(F)F 1705574705 LGIZILPHKNQGIU-JOCHJYFZSA-N 469.511 4.393 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)ccc21 1860604553 XOYPFFZYADVMFN-UHFFFAOYSA-N 477.520 4.434 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864012785 JASLUJITTPFRRZ-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016403 ODGJUAHSCNJLMM-OAQYLSRUSA-N 476.577 4.228 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970866 YRHVIXWNNDGATN-UHFFFAOYSA-N 488.617 4.154 10 10 JICE CN(C[C@@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2106776806 LUFSUCAWZBIZAU-TZIWHRDSSA-N 463.619 4.156 10 10 JICE CN1CCCc2cc([C@H](O)[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2121961606 ITJYGYPVFSDUSI-WNJJXGMVSA-N 486.568 4.484 10 10 JICE COc1ccc(CC2=NN3C(=N)C(=Cc4c(C)[nH]c5ccccc45)C(=O)N=C3S2)cc1OC 2296400340 UEWYJUOBKFDRFX-UHFFFAOYSA-N 459.531 4.355 10 10 JICE CCCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 2297344682 LLGWHPZVMUKZEH-UHFFFAOYSA-N 468.560 4.264 10 10 JICE CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 2297459131 FQVYRZIXNQSVRU-UHFFFAOYSA-N 460.511 4.263 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1N1CCCC1 2313557198 WVTAESUHXWSBRC-UHFFFAOYSA-N 470.392 4.189 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2301637 ZXYDCULAMRUUNA-QZQOTICOSA-N 481.599 4.052 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 6974282 GLWLCBQMYPMONM-WTKPLQERSA-N 455.706 4.207 10 10 JICE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(C)C2=O)CC1 38732559 BBBVUGVJHDCMOJ-AQTBWJFISA-N 455.605 4.154 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)NC1CCCC1 59087170 NYFSATFZBNSWEO-HMAPJEAMSA-N 470.529 4.202 10 10 JICE CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 109184463 OBHKJTIETZWOGQ-CPJSRVTESA-N 465.638 4.453 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1 170548738 STWIAILHGDNGIV-UHFFFAOYSA-N 473.620 4.069 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccccc1 1860760174 UWDBVDJNOSXAHQ-UHFFFAOYSA-N 496.585 4.215 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@H]3c2ccc(O)c(O)c2)cc1 1864009103 ZHRYKLWJENQGJB-VWLOTQADSA-N 496.567 4.220 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864017073 DUBMATVEKKKJKS-XMMPIXPASA-N 496.567 4.165 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 1866134975 YMPAYJBDTWAQPF-JOCHJYFZSA-N 460.416 4.237 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NC[C@H](O)c4ccc(Cl)cc4)cc3)CC2)cc1 1872884496 VLIUINPBCUJUQP-SANMLTNESA-N 480.008 4.134 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3cccs3)C2=O)cc1 1873165583 QBIHCLGIIDQIMI-UHFFFAOYSA-N 463.603 4.450 10 10 JICE Oc1cccc(F)c1Cn1nc(Br)c(I)c1C(F)(F)F 2079156450 YIPBFUIDGIOVQU-UHFFFAOYSA-N 464.982 4.162 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294199384 ZAWSMUHHJYHMBF-UHFFFAOYSA-N 479.945 4.308 10 10 JICE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297352780 WBJYWJWQCOFMRH-UHFFFAOYSA-N 475.574 4.255 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 13641638 UNLIYHKCCUVFOA-IXFSTUDKSA-N 452.551 4.305 10 10 JICE CC(=O)NCCN1C(=O)/C(=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 1858587228 QRMLRIIZXHDSJU-VGOFMYFVSA-N 490.960 4.467 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1O 1858594064 JQYPVTSDIUEGNF-LANLRWRYSA-N 458.605 4.304 10 10 JICE COc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347317 JHLMPFZCFWCINA-MHZLTWQESA-N 466.541 4.436 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862263131 YNSBJTMGNWSPIK-AREMUKBSSA-N 481.637 4.367 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)c2ccccc2)o1 1871278996 GGVNVQHVMFKYQM-UHFFFAOYSA-N 457.463 4.140 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(C3CCCCC3)C2=O)cc1 1873167483 JHGULVMJJJZZRB-UHFFFAOYSA-N 462.638 4.438 10 10 JICE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873423282 AWTSLFSOZZZAMD-UHFFFAOYSA-N 457.530 4.481 10 10 JICE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080054426 PYIMUSLXSZRIEN-OAHLLOKOSA-N 475.277 4.236 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@]1(CN)CCCN(Cc2ccccc2)C1 2194863722 NMDXKNSYERYXGG-NDEPHWFRSA-N 464.654 4.457 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 2297732948 ILWFMWBDRYVPCZ-UHFFFAOYSA-N 498.583 4.272 10 10 JICE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 1202485 GFGCTCXEFPQZLE-LFIBNONCSA-N 467.821 4.183 10 10 JICE CCc1ccc(S(=O)(=O)N(CCCC(=O)O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586239272 ACWSLKJLODDRTN-UHFFFAOYSA-N 477.538 4.085 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)CC1 1301634823 IMIPUHVRMBEJFB-UHFFFAOYSA-N 470.668 4.340 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccnc1OC 1705590869 YOILRJRIAKJITL-UHFFFAOYSA-N 464.573 4.267 10 10 JICE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)c(F)c2)C1 1705921064 KWGVLUKSYFORSR-SFHVURJKSA-N 456.953 4.028 10 10 JICE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015021 IBGYHVSYWJZECW-KKSFZXQISA-N 476.577 4.227 10 10 JICE CCOc1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(OCC)c1OCC 1865871305 ANFPHIXTQQPNBH-HSZRJFAPSA-N 466.582 4.202 10 10 JICE COc1c(Br)c(C(=O)Nc2ccc(N)cc2)c(Br)c(OC)c1OC 1865879403 HNRZVDLMBPQODW-UHFFFAOYSA-N 460.122 4.072 10 10 JICE CC[C@@](C)(NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917518 KFVUOJQRSZMZGU-RBJSKKJNSA-N 480.653 4.003 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080054802 VTHDSDREBYEFSU-CQSZACIVSA-N 475.277 4.236 10 10 JICE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O 2294076191 WPTLBGXXIFTROC-GFCCVEGCSA-N 494.594 4.406 10 10 JICE Cn1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 2296882864 AXFFJAUETNDQGR-UHFFFAOYSA-N 472.389 4.487 10 10 JICE CCOCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 2313683419 ZNBPUYGAWWHSCQ-UHFFFAOYSA-N 450.564 4.346 10 10 JICE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314414283 VCIZKJAKLBTFDO-QGZVFWFLSA-N 484.647 4.128 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OC 2314769387 PNXONFRDOQMSEY-UHFFFAOYSA-N 474.398 4.011 10 10 JICE O=C1C[C@@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2314832338 FONDPDSSWDCAGI-OAHLLOKOSA-N 462.474 4.239 10 10 JICE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139786 RPKQIYDDILCNOO-UHFFFAOYSA-N 463.578 4.443 10 10 JICE CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 33288338 FYPDKOBTXGZSPG-UHFFFAOYSA-N 459.594 4.430 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(-c4ccccc4)on3)c3ccco3)CC2)cc1 38598193 LXEVHCSCCRDEIA-DEOSSOPVSA-N 472.545 4.237 10 10 JICE CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 40940405 UUTQHZJFFLYRAW-LFIBNONCSA-N 463.378 4.394 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S)c1ccc(Br)cc1 40940444 GLBWPCFRFZLAPD-YRNVUSSQSA-N 488.182 4.351 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)NCc1ccccc1 59109507 FNJDSHSMXARDJI-XKZIYDEJSA-N 482.496 4.053 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 1084438431 UPGVCLHGFGYSEO-UYRXBGFRSA-N 450.466 4.375 10 10 JICE COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1 1616156258 XPMOPCUTJWKAAH-GGBSJPMNSA-N 459.638 4.129 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1 1857996715 AXUFKEMQQPZYDA-UHFFFAOYSA-N 472.498 4.068 10 10 JICE Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1860587603 XRBLFRFRXCDHGA-UHFFFAOYSA-N 452.510 4.261 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(C)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864009102 ZHRYKLWJENQGJB-RUZDIDTESA-N 496.567 4.220 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(F)c(F)c1 1873883700 LJIILPINRGDOEI-UHFFFAOYSA-N 456.452 4.491 10 10 JICE CC(C)c1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2042449788 FTDSDCOGERYJMD-UHFFFAOYSA-N 454.573 4.170 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294100493 PLHRJBXKMSMDBB-UHFFFAOYSA-N 481.258 4.074 10 10 JICE CCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296053655 WZLZPIDZFGQGHK-LJQANCHMSA-N 494.642 4.150 10 10 JICE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)C1 2296706637 BQRYIMYOMVVOOV-IYBDPMFKSA-N 480.615 4.171 10 10 JICE COc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C2=O)c1 2297312785 VTXQMOQXJXFDLU-UHFFFAOYSA-N 481.508 4.395 10 10 JICE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c1C 2297345757 ZAVPRSJEZVHNDU-UHFFFAOYSA-N 483.619 4.050 10 10 JICE O=C1C[C@@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2297464222 IBIPBNNCCNTNRT-OAHLLOKOSA-N 480.464 4.378 10 10 JICE CCOCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414237 TWDCBDLAJFPNBK-UHFFFAOYSA-N 486.663 4.375 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)s1 2314578375 MEWCDLJKKMSRJV-UHFFFAOYSA-N 456.665 4.332 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817710 YMXBTTFQVRIUTP-UHFFFAOYSA-N 464.572 4.005 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 20208567 ABPCYJOMACOXPA-NWECJKKASA-N 490.010 4.067 10 10 JICE COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1OC 20236670 VOPFXSYYTAIAAP-QFDAQRMXSA-N 497.891 4.035 10 10 JICE Cc1cccc2cc(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732792 VTTNLRBTYZMXMJ-ZHZULCJRSA-N 482.675 4.492 10 10 JICE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 40847165 SCBVFRCLGCDCII-SANMLTNESA-N 495.491 4.346 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nccnc3Oc3ccccc3C)CC2)cc1 65111182 JDGYFFATQZVKQE-UHFFFAOYSA-N 450.564 4.027 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 1084481347 UISGCHYEEOIWHU-YBEGLDIGSA-N 497.935 4.416 10 10 JICE CCN(CC)CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858589464 SMRNDRUIDCMCGA-RVDMUPIBSA-N 459.431 4.096 10 10 JICE CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862147684 AYJWOXWFRXDEFE-ZLWHBRAQSA-N 463.622 4.250 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864007782 UZFBWDIHQGABDW-UPCLLVRISA-N 482.540 4.164 10 10 JICE Cc1ccc(C(=O)CCC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1867097814 TYNQTHRBLNPEQC-SFHVURJKSA-N 482.536 4.185 10 10 JICE COc1ccccc1CN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166096 BVUVIALBJKRLDA-DEOSSOPVSA-N 485.584 4.151 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873168109 JIDYPAHGMHEAQI-NRFANRHFSA-N 479.584 4.491 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c(OC)c1 1873933540 XBFIFLUORDCWEF-UHFFFAOYSA-N 480.524 4.230 10 10 JICE COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(OC)c1 1874180487 AXNVJBXJSDXEQX-UHFFFAOYSA-N 453.454 4.122 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)nc(O)c2)C1 1952863594 WHAGRIXJHALSSJ-IVZQSRNASA-N 460.486 4.280 10 10 JICE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163002558 KMLWJEZUZFHZTD-UHFFFAOYSA-N 488.551 4.455 10 10 JICE Cc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2296545998 FPVISHYGNUOBQF-UHFFFAOYSA-N 464.616 4.472 10 10 JICE CC(Nc1ccc(Cn2cnnc2)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682891 NELBXQBMMMAWRB-UHFFFAOYSA-N 479.500 4.372 10 10 JICE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OC 40940552 PECUSJUUKYROQW-YBEGLDIGSA-N 493.404 4.321 10 10 JICE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 727477333 NAIKVDYNUGPOSY-UHFFFAOYSA-N 452.599 4.461 10 10 JICE Cc1cc(CCNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)n1-c1ccccc1 729586765 ITUGIYYEFWWPHA-UHFFFAOYSA-N 450.627 4.317 10 10 JICE CCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202305 HWJZTICNOQVAJN-NRFANRHFSA-N 494.419 4.015 10 10 JICE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)CC2=O)cc1 1865925785 RFOCGXKCBOXFRB-WBVHZDCISA-N 498.601 4.218 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873170101 OFYTUMFQEJYXFZ-UHFFFAOYSA-N 497.599 4.267 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC[C@H](Cn4nnc5ccccc5c4=O)CC3)cccc21 1874016532 FRNAJMGMHMAIGU-IYARVYRRSA-N 492.535 4.012 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 2294371417 VJJOLVVXJOGENL-UHFFFAOYSA-N 489.553 4.399 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N([C@@H](C)CC)C3=O)c3ccccc32)cc1 2296711312 MBTGWVFEIUQNLS-HNNXBMFYSA-N 495.626 4.441 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2297296739 ASCMFPVCWVZFOS-UHFFFAOYSA-N 492.626 4.023 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc1OCC 2323808675 KUOQTRJRCMVJBQ-AWEZNQCLSA-N 455.623 4.282 10 10 JICE CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C(=O)N=C2S1 3864214 STTJFJGPVXEBKH-OLXQSXLYSA-N 458.883 4.190 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2c(O)ccc4ccccc24)N3)CC1 14547984 MOHOTXYWGGLLKK-VHFRWLAGSA-N 475.614 4.308 10 10 JICE Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)c1 17026513 KXVCWTHJXRKYGB-SANMLTNESA-N 463.647 4.447 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 27551227 MWVYMGKKHTVCJH-CXUHLZMHSA-N 455.253 4.385 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 33373224 FPJFAUOGVPUIOB-HEHNFIMWSA-N 470.616 4.092 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(Sc3ccccc3)nc12 33451847 SWBBLQMDUNRETL-LGMDPLHJSA-N 497.623 4.220 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OC 34865174 GBDCTUKCGKVYAK-DJTZAMBLSA-N 472.969 4.424 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989584 BPQJYZFYHIGXJX-PZZZEZCFSA-N 470.664 4.192 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3nc4ccccc4s3)C2=O)cc1 40324152 KZZRSHVXVDAVGO-PDGQHHTCSA-N 469.613 4.213 10 10 JICE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 40844956 NSFMVBZSWOBYIJ-YBEGLDIGSA-N 479.377 4.013 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210683047 AMQIKAPSKMAUJF-RCCKNPSSSA-N 498.626 4.228 10 10 JICE COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 504248935 VVEJCHSXQQKUSL-VEAWFHDZSA-N 494.547 4.266 10 10 JICE biogenic Cc1cc(C(=O)N2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)c(C)o1 917637782 GPBDXQWMKOSWNM-DEOSSOPVSA-N 485.544 4.402 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1O 1197589461 LBKWOVSTAQTMFF-BBRMVZONSA-N 450.885 4.383 10 10 JICE C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1527966658 HLRDIFKMDTZERO-SILNSSARSA-N 451.590 4.331 10 10 JICE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(I)cc2C)cc1 1860717111 UQFYKVQMUSOMTN-UHFFFAOYSA-N 451.352 4.174 10 10 JICE CCC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861967934 JVVYYPBPWVOWBK-FQEVSTJZSA-N 494.419 4.258 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013993 KUVVEYGMJWTIMX-QHCPKHFHSA-N 496.567 4.480 10 10 JICE CC(C)(C)OC(=O)N1CCSC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 2036050796 OBCRFROMARUFTM-CYBMUJFWSA-N 451.814 4.250 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079853262 DOXOIHAAYBQAAM-LBPRGKRZSA-N 484.212 4.164 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296715404 ZKWVRPLNDMPCOC-UXLLHSPISA-N 470.664 4.485 10 10 JICE CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297449860 MNFIDWVZLPLJSN-UHFFFAOYSA-N 472.633 4.052 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 2314831138 DDYMSRQZQMZURG-UHFFFAOYSA-N 460.621 4.376 10 10 JICE CCC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)[nH]c2ccccc12 1255632 HIGVRFZPACLGNT-XMHGGMMESA-N 460.559 4.217 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5C[C@@H](C)C[C@@H](C)C5)c(C)c34)CC2)cc1 10013173 MYJHESODKHVROL-HDICACEKSA-N 479.650 4.453 10 10 JICE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(Br)cc(Br)c2O)NC(=S)N1 27522702 AEWIIJASSADBES-OAHLLOKOSA-N 497.212 4.349 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 40938058 BJMRSPIPARUPPU-GDNBJRDFSA-N 488.425 4.399 10 10 JICE CC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Br 1309558527 CKSZPUYLRVUJBP-UHFFFAOYSA-N 453.141 4.143 10 10 JICE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705941122 ZJTLXSZOYVTSDI-JPYJTQIMSA-N 451.640 4.479 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cccc21 1860604529 WFAHCOFGWQIDEG-UHFFFAOYSA-N 477.520 4.434 10 10 JICE CC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862218339 FFMALBAIDWEBJC-SANMLTNESA-N 495.664 4.395 10 10 JICE CC[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866838918 CZZJUBJNCQEMIF-ZHRRBRCNSA-N 472.516 4.313 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(C(C)(C)C)n3)CC2)cc1 1869970965 VNKOYIKUQBLVBR-VAWYXSNFSA-N 466.611 4.082 10 10 JICE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ccc3[nH]2)cc1 1873508510 NAXNWLGSRINVPG-UHFFFAOYSA-N 470.533 4.167 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCOC(C)C)ncnc21 1875204891 CFBSADAHHYEVGT-UHFFFAOYSA-N 494.640 4.039 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(N)=O)c1I 2080023259 VYEWTPCTCCIXOG-ZDUSSCGKSA-N 455.340 4.206 10 10 JICE CCOC(=O)C(C)(C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326954614 GCDLPKSNUSDSHU-UHFFFAOYSA-N 460.577 4.006 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 15035713 HOUWFHJAMKFDKG-PXNMLYILSA-N 468.478 4.260 10 10 JICE O=C1c2ccccc2C(=O)C1(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 20178139 LSKXOHSZHWXBOF-UHFFFAOYSA-N 459.977 4.026 10 10 JICE O=C1/C(=C\c2ccccc2OC(F)F)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 210498572 WMKWWPARVDVDDM-XDJHFCHBSA-N 492.569 4.295 10 10 JICE CCSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(CC)CC)cc1)N(C(C)=O)c1ccccc1-2 261363228 QCOKXJMNWVGVJC-QHCPKHFHSA-O 450.588 4.008 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526478729 VGMHAIBYEBQTNF-HSZRJFAPSA-N 461.470 4.340 10 10 JICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 1084243902 MXDGEYZVUFHVOL-PDGQHHTCSA-N 480.492 4.384 10 10 JICE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 1084562821 GGKQDORXMMKUHR-JAIQZWGSSA-N 477.904 4.421 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(F)cc1 1860759304 SMRAQULBIIDQQS-UHFFFAOYSA-N 484.505 4.023 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN(CC)CC)sc(C)c1-c1ccccc1 1860759483 CDVZZPAEJCZLDB-UHFFFAOYSA-N 459.612 4.077 10 10 JICE CCCCOc1cn(CCCOC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663186 JPALYSTXARTRNF-UHFFFAOYSA-N 471.642 4.173 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(F)c(Cl)c3)cc1C2=O 1873909558 ROIHRQFANKDNMB-UHFFFAOYSA-N 495.846 4.357 10 10 JICE CCOC(=O)c1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873953269 XVMSBSFVLXWBMV-UHFFFAOYSA-N 492.535 4.390 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)c(O)c1 2080053540 ULZYXVYXFNBPER-MRXNPFEDSA-N 453.324 4.225 10 10 JICE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@@H]2OCC[C@@H]21 2146638970 QCOJBCYZRBXNMV-BPUTZDHNSA-N 461.784 4.065 10 10 JICE CCc1cccc2c(C=C3SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCOCC3)c12 2293783555 RKJOOKDPSJVZGQ-UHFFFAOYSA-N 491.638 4.468 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1 2295927348 BZYBJYIQKOBERQ-UHFFFAOYSA-N 454.573 4.402 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nnc(C)s3)C2=O)cc1OC 2296881838 CCZIYPNQXLYGLD-UHFFFAOYSA-N 492.648 4.264 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 2313682022 SWQZUGZFEMKWPZ-UHFFFAOYSA-N 461.946 4.401 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831814 SLNYQEWQXYRVFH-UHFFFAOYSA-N 470.572 4.491 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 2984662 AXQKUDMDHTZCOL-SFQUDFHCSA-N 469.316 4.191 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)c1 35625068 VOTGRTYCGOKINT-QGOAFFKASA-N 456.545 4.014 10 10 JICE CCOC(=O)c1c(/C=C/C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c(C)n(CC)c1C 110354593 LGHIGQAMKNQQSR-OUKQBFOZSA-N 453.583 4.109 10 10 JICE Cc1cc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccccc1Br 749244135 DCTCMOWZJUCLLC-UHFFFAOYSA-N 475.408 4.331 10 10 JICE Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1N1CCCC1 1084237757 WVTAESUHXWSBRC-QGOAFFKASA-N 470.392 4.189 10 10 JICE CCOC(=O)[C@@H](CC)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848065 AIBRDERYRDZYER-LJQANCHMSA-N 473.485 4.222 10 10 JICE COCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870406235 NQBWXUXIYIALAD-UHFFFAOYSA-N 498.023 4.058 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(OC(C)C)cc4)[nH]3)CC2)cc1 1871721555 UNAJRZAXMRVVTB-UHFFFAOYSA-N 491.640 4.227 10 10 JICE CC[C@@H](C)N1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167602 OWZFQSSBWSJMIS-HXUWFJFHSA-N 462.638 4.438 10 10 JICE COc1ccccc1C(=O)Oc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2C 2293854821 WQUFYZTWNMMDRC-UHFFFAOYSA-N 492.578 4.316 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl 2296398015 NIAAKOGAXDWTPT-UHFFFAOYSA-N 467.821 4.183 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 2297360209 NUJSOZITDJHDCP-UHFFFAOYSA-N 488.540 4.240 10 10 JICE CCN1C(=O)c2ccc(-c3ccc(/C=C4/C(=O)N(c5ccc(C(=O)O)cc5)N=C4C)o3)cc2C1=O 27528237 NTTXNJCLPKOFGL-DEDYPNTBSA-N 469.453 4.067 10 10 JICE N=C1/C(=C\c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC(c3cccnc3)=NN12 102470459 LWIAPYIZELVHOM-IHLSHBBNSA-N 496.581 4.398 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1 104372331 VDILCCFHOZOEMP-XTZGGVIGSA-N 466.544 4.244 10 10 JICE COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 210720551 XUGXABQCPKDOJO-QGOAFFKASA-N 456.545 4.014 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 210727508 DDYMSRQZQMZURG-SQXWLJKJSA-N 460.621 4.376 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]23)cc1 253561179 BUTSCXPKCKVBGY-WFBMQCHUSA-N 465.505 4.247 10 10 JICE O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(O[C@H]2c2ccc(F)c(Cl)c2)C(=O)c2ccccc2C1=O 253579558 ZULCMHYQZWBAGM-HBMCJLEFSA-N 475.859 4.174 10 10 JICE Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)ccc1N(C)C 1860603114 UEZXDNRHJSPJFH-UHFFFAOYSA-N 495.579 4.327 10 10 JICE CCCC[C@H](NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861945120 KYSPLANPCSYXSQ-SANMLTNESA-N 465.638 4.268 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013661 FASCCNYVJOPLCF-NRFANRHFSA-N 468.598 4.190 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017311 JMDZYFHSTSLKQH-XMMPIXPASA-N 496.567 4.165 10 10 JICE COc1ccc(N2N=C(c3ccccc3)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 1865679680 ZYABPEFLNMOYDB-MOSHPQCFSA-N 457.442 4.209 10 10 JICE CC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868731656 NJFXIGJVZTXHQQ-RUZDIDTESA-N 465.638 4.305 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174841 LGYSLQFBLDXMFU-NRFANRHFSA-N 459.594 4.012 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871652082 WMSBYFIXCYLJDT-UHFFFAOYSA-N 495.631 4.023 10 10 JICE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2079858452 QHAJRCZHGMPIDX-JTQLQIEISA-N 484.212 4.007 10 10 JICE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)cc1 2297364809 PFCIQBNSSXKGFT-UHFFFAOYSA-N 477.542 4.194 10 10 JICE C[C@H]1CN(C(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)C[C@H](C)O1 2314489214 PQBMBTRRRHBYLR-IRXDYDNUSA-N 468.600 4.107 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1OC 2314926307 GEMHJZMBIUAZBE-UHFFFAOYSA-N 458.561 4.126 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932769 PLZJJSKTCWNYFI-ZDUSSCGKSA-N 457.529 4.156 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 2331397007 YWCXDTVLNQLMOU-UHFFFAOYSA-N 460.582 4.020 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)c1 8825470 SZMQTCIZBHXMFU-LHHJGKSTSA-N 451.428 4.090 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)cc1 16908215 VKRLAJSFYJFSAH-XMHGGMMESA-N 484.599 4.384 10 10 JICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 34846350 LQCZGZGCKMRSTC-YBFXNURJSA-N 480.615 4.233 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cc4cccc(OC)c4o3)c3ccco3)CC2)cc1 38598202 MRAYRUKBHRMRDC-JOCHJYFZSA-N 475.545 4.336 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2c(C)n(C)c3ccccc23)C1=O 59249515 YFLOBZYPDSLTCE-GZTJUZNOSA-N 452.308 4.224 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 526498789 AIINPKDPKZWUTM-VWLOTQADSA-N 474.513 4.000 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526560595 HUFBXVXLVFVMHS-QFIPXVFZSA-N 455.413 4.450 10 10 JICE Cc1cc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 730770187 YKIRLAYMZIZSSC-QHCPKHFHSA-N 478.980 4.311 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(Cl)c4)n4ccccc34)CC2)cc1 1858229537 WIIMBNLNBPTGCU-UHFFFAOYSA-N 489.963 4.211 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)sc(C)c1-c1ccccc1 1860747748 UQCCFUCMVBCFAS-UHFFFAOYSA-N 466.515 4.264 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862148604 YCPMDHIIIXNPDZ-MKZVKBBESA-N 493.673 4.256 10 10 JICE CCCC[C@@H](NC(=O)CCc1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866579454 RKWOFFFGQRQEKS-JOCHJYFZSA-N 458.514 4.301 10 10 JICE COc1cccc([C@H](C)CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867096798 HEXVJMOCCWDYEN-QGZVFWFLSA-N 484.552 4.498 10 10 JICE COc1ccc(N2CCN(c3nc(N4CCCCC4)c4cnn(-c5ccc(F)cc5)c4n3)CC2)cc1 1873485713 FQTYICXBAJINML-UHFFFAOYSA-N 487.583 4.280 10 10 JICE CC[C@H](c1ccc(C)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2079023828 VNNFPYJITDTUSB-CYBMUJFWSA-N 454.308 4.339 10 10 JICE Cc1cccc(Cn2nc(Br)c(I)c2C(F)(F)F)c1O 2079161056 KQEXQYNNPSYESL-UHFFFAOYSA-N 461.019 4.331 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)c(O)c1 2080054174 ZEGJPBYFKJAIML-KRWDZBQOSA-N 467.351 4.102 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2293180145 PMOAWJRBTKDRMH-CQSZACIVSA-N 464.546 4.262 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296540700 HRKTTYVRESJCHB-HUUCEWRRSA-N 456.637 4.095 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(OC)c(Cl)c4)C3=O)c2C)cc1 2296554382 YMRQNBOYMAQMAX-UHFFFAOYSA-N 479.920 4.431 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2313499082 JDVVFCSBUBKTDF-SFHVURJKSA-N 462.546 4.024 10 10 JICE Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 2314400680 QETGAICUGFLGRF-UHFFFAOYSA-N 497.623 4.220 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(Cl)c1OCC(=O)O 33323378 FMEGWZQABHHJHT-AUWJEWJLSA-N 479.272 4.362 10 10 JICE C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC 33482426 XHFUVZJDMDYXOE-ZHZULCJRSA-N 470.572 4.205 10 10 JICE CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCN(Cc2ccc3c(c2)OCO3)CC1 254632252 SJSLGMJFVBPZOR-UHFFFAOYSA-N 453.474 4.029 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Cl)c1O 1084390833 ZCZPVFCYTRKADJ-WUXMJOGZSA-N 479.714 4.100 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3ccc(N(Cc4ccc(F)cc4)C(C)=O)cc3)CC2)cc1 1858130863 QGPWQHSAKFGRNB-UHFFFAOYSA-N 475.564 4.279 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]21 1860347552 WLCUIFGCDZNRQM-AREMUKBSSA-N 481.512 4.335 10 10 JICE CC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867671598 WNGSAWBKDJFKSG-RSXGOPAZSA-N 475.637 4.086 10 10 JICE CCN(CC)CCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166885 JSFFJMKKZNVPOP-UHFFFAOYSA-N 488.607 4.445 10 10 JICE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421113 HNEMITJFVFUJNF-UHFFFAOYSA-N 456.590 4.410 10 10 JICE CCCCN(CCCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873544297 ZMZKKZSHBSUXNN-UHFFFAOYSA-N 478.641 4.346 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2040498476 KYTDSSSMAPOSCU-UHFFFAOYSA-N 494.642 4.243 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2201734268 KTHBJYHRYWNUDZ-IFXJQAMLSA-N 461.784 4.066 10 10 JICE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNCc1cc(Br)cc(F)c1O 2234594611 MZKPAMOBUFMELV-ZDUSSCGKSA-N 453.299 4.418 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2293653476 QDRYVCYAXOCQPM-UHFFFAOYSA-N 463.471 4.169 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 2294095691 YRYWOLLJBJBQBM-UHFFFAOYSA-N 480.318 4.229 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716242 OWJHAGOQAMBXCV-IYBDPMFKSA-N 456.637 4.178 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccccc1 2297350575 BQAGCZOHPAPPRZ-UHFFFAOYSA-N 486.480 4.029 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccc(F)cc3)nc12 2314509491 UQTWXRAJMSBIRA-QGZVFWFLSA-N 497.573 4.315 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C)cc4)n(C(C)(C)C)n3)CC2)cc1 2331397134 LJXYQKTXZXBLKV-UHFFFAOYSA-N 474.609 4.329 10 10 JICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1 2997270 QZONATYFZYEZID-FCYPAOMHSA-N 497.620 4.206 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)NC2=S)cc1 6645233 ZWLUGTFPKSTLQG-MOSHPQCFSA-N 492.528 4.253 10 10 JICE Cc1[nH]cnc1CSCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 32984029 LQKHOVWDPHLAOD-FBHDLOMBSA-N 468.966 4.407 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1OC 33913995 AJOLXLUKGMSTDW-FXBPSFAMSA-N 474.513 4.013 10 10 JICE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(I)cc1 59371459 NWSWDGZOLGTLCH-OQLLNIDSSA-N 497.339 4.470 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694607 KCVRPJVIZBRXKY-UHFFFAOYSA-N 483.971 4.293 10 10 JICE CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 109179558 DXPBNCBIKIQVHZ-IUKKYPGJSA-N 458.002 4.199 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@@H](C)C2 1349305720 ZFQKLFBLTQDWKS-CABCVRRESA-N 456.564 4.050 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029667 SKFMNHCZMKSGHF-OAQYLSRUSA-N 494.979 4.206 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccccc3)CC2)cc1 1870541075 BIIGUUILAVAPQJ-UHFFFAOYSA-N 491.632 4.031 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166043 ZWSYCVYOTGJZDL-UHFFFAOYSA-N 474.580 4.055 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873167213 WOECKKWQZXUPPM-UHFFFAOYSA-N 467.573 4.291 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3CCC(C)CC3)nc12 2053515792 KJJPQMMMADRBMC-UHFFFAOYSA-N 456.637 4.096 10 10 JICE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)s1 2297321626 WGIQIFRORHYKTB-UHFFFAOYSA-N 496.618 4.237 10 10 JICE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560029 GRZHJZCFKKXDAC-UHFFFAOYSA-N 474.473 4.020 10 10 JICE CCOc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1SC(=S)NC1=O 2314486227 HLMGPSPVYOTPPK-UHFFFAOYSA-N 493.404 4.354 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OCC)c2)SC1=S 2314761896 ZUBMHYAFPHMPLZ-UHFFFAOYSA-N 488.425 4.401 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCC(=O)N=c3[nH]onc3-c3cc(C)ccc3C)C2=O)cc1 2314817702 WDPJXYROXSEBBO-UHFFFAOYSA-N 478.599 4.314 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCc1cc(-c2ccccc2)no1 2314913663 ORZOBUSDCFXUNU-UHFFFAOYSA-N 467.547 4.388 10 10 JICE CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 16041272 HFSUURRZUFQZRX-CCDWMCETSA-N 480.520 4.181 10 10 JICE biogenic COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3Br)CC2)cc1 21585350 OGBZRDIGYQGJHN-UHFFFAOYSA-N 455.352 4.339 10 10 JICE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33470189 PKPKUOUIKSJVFV-YBFXNURJSA-N 458.653 4.142 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Br)cc3)c3ccco3)CC2)cc1 38598219 PMCUWLYTDZEKPS-QFIPXVFZSA-N 484.394 4.344 10 10 JICE Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]23)c1 59443021 SMMJTBMRNQENQR-JDGBCZCZSA-N 465.505 4.247 10 10 JICE Cc1nn2c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(-c3ccccc3)nc2s1 102471209 VOYQLBTVJDFPGF-LFIBNONCSA-N 463.906 4.086 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 1087623879 PWCGKSFMEIUFDI-YCRREMRBSA-N 454.420 4.260 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862295706 WPBUTCJFKCBLNC-MHZLTWQESA-N 489.591 4.141 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(CC)cc1)=C(N)O2 1864014416 UPVVBKAQIQAUOM-QMHKHESXSA-N 490.604 4.401 10 10 JICE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1865030304 HSGKFCCBXQDTTA-HSZRJFAPSA-N 494.551 4.268 10 10 JICE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O 1865767330 UAPFABQHNPIBTC-SFHVURJKSA-N 452.510 4.324 10 10 JICE Cc1ccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c(C)c1 1866287648 NMQWJPGEZKVBMO-SANMLTNESA-N 487.648 4.181 10 10 JICE CCC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866639881 IHZLGNKWUGZWHL-LJQANCHMSA-N 483.480 4.247 10 10 JICE CCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329140 JREQYYWZMWQMJL-FTJBHMTQSA-N 464.654 4.303 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873164154 ORUVNJKJQCDMIW-UHFFFAOYSA-N 492.579 4.438 10 10 JICE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c(I)c1C(=O)OC 2079953151 SKWHILKVIUXMSA-QGZVFWFLSA-N 454.308 4.159 10 10 JICE O=C(O)COc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1 2293850313 LIUUALJBARRQLX-UHFFFAOYSA-N 450.335 4.318 10 10 JICE NC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2314539047 JREVEWJVEMEACP-UHFFFAOYSA-N 451.485 4.360 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314831499 MJUNYLZMHKBYMS-UHFFFAOYSA-N 457.533 4.224 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(C)(=O)=O 3462154 NDMRSXKQJCPIOJ-OQLLNIDSSA-N 473.956 4.232 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)ccc1OCCC(=O)O 16919674 YWVPATSTSUZRKZ-HMMYKYKNSA-N 457.573 4.383 10 10 JICE COc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 33323587 HMWXMQBDFUXVOG-MHWRWJLKSA-N 463.378 4.298 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066468 ROMUUUZBXAURHS-NDENLUEZSA-N 482.631 4.280 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1C 59858399 RWXPFZUTPLTIHD-XKZIYDEJSA-N 457.534 4.302 10 10 JICE COc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 103040848 TYCFIBNBTKJLQL-PCXKXAPESA-N 465.600 4.125 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)[C@@H](C)C1 1760607926 ZOKVSGOXIWEZQY-HNNXBMFYSA-N 477.059 4.294 10 10 JICE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422236 MRSVDCJRLDTRQO-UHFFFAOYSA-N 499.567 4.252 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=CNCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O 2042446603 SHQOBSHXLWPFNZ-UHFFFAOYSA-N 466.950 4.273 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c1 2060619966 TZCBZMFBYSSVFH-LBPRGKRZSA-N 457.272 4.163 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)c(O)c1 2080048789 XQDWGWJWGJSAKB-MRXNPFEDSA-N 453.324 4.225 10 10 JICE CC(=O)N1C(=O)C(=C2SC(=S)N(c3ccccc3F)C2=O)c2cc(Br)ccc21 2295934218 IQHANFONTWXKBO-UHFFFAOYSA-N 477.336 4.257 10 10 JICE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(=O)O)cc1 2295937235 BCRIGRIWWPGFOV-UHFFFAOYSA-N 456.292 4.415 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2296223375 BABFRVITDLMPEW-UHFFFAOYSA-N 487.990 4.378 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1O 2297307226 OWGXOPXDUDSDEQ-UHFFFAOYSA-N 463.378 4.385 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2ccc(O)cc2)cc1 2313682406 BUXNBKQTDAOGGV-UHFFFAOYSA-N 457.530 4.267 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314837178 PHPJQGWSTDVSAF-ZDUSSCGKSA-N 457.533 4.222 10 10 JICE CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N(C)C)cc3)sc12 2619138 BHDBROLWXQEBEC-FYJGNVAPSA-N 480.973 4.036 10 10 JICE CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl 95925751 NLSMDMJJDVDBGB-OVCLIPMQSA-N 493.368 4.075 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 303176767 KCCVYQVGTDAAIF-UHFFFAOYSA-N 450.608 4.008 10 10 JICE CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)C1=O 1084539806 XNZIJKCYTPFNIK-JMIUGGIZSA-N 475.501 4.414 10 10 JICE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 1084627613 QUGQWRRIECBYFF-STZFKDTASA-N 457.486 4.109 10 10 JICE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421147 IWLXXGFFVVRTDZ-UHFFFAOYSA-N 472.589 4.165 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2C)cc1 1874187319 AJENAIJTBAUNJT-UHFFFAOYSA-N 461.547 4.246 10 10 JICE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881516122 OAMGYLNTIPQNET-JIPXPUAJSA-N 452.643 4.387 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294133919 MSUSOJWPWVJREF-UHFFFAOYSA-N 473.323 4.140 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296846516 SXFCQGSABLNLGL-MRXNPFEDSA-N 474.652 4.230 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1O 2314764499 DXJHDEAFEZMIKE-UHFFFAOYSA-N 479.377 4.100 10 10 JICE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1=O)C(=O)O 2314930301 ARYDDHFBMJMFON-AWEZNQCLSA-N 484.599 4.382 10 10 JICE CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 6211314 XSEXURDSXBDYKQ-UDWIEESQSA-N 468.556 4.238 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14547940 HQSCVUDHUIDMFA-WOVHNISZSA-N 462.571 4.393 10 10 JICE CCOc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21658987 DFBQYBCXPWZXDK-HSZRJFAPSA-N 494.551 4.314 10 10 JICE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 33294125 COJOPFLITSESFD-HYARGMPZSA-N 474.513 4.347 10 10 JICE CCc1ccccc1OCCn1cccc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 33438769 QWRNCWSVDHHLGC-VNGZERMVSA-N 461.469 4.311 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc4cccc(OC)c4o3)c3ccco3)CC2)cc1 38606529 MRAYRUKBHRMRDC-QFIPXVFZSA-N 475.545 4.336 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1 108429052 HPNOVLZINMEOST-GOSISDBHSA-N 462.516 4.064 10 10 JICE CCOCCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 205961284 ZNBPUYGAWWHSCQ-LTGZKZEYSA-N 450.564 4.346 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)CC1 1612353201 GVEIDOVIMCMLAD-UHFFFAOYSA-N 458.518 4.106 10 10 JICE COc1ccc(NC(=O)c2ccc(/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1858112472 DLLKMGHNORMOLM-FZSIALSZSA-N 471.557 4.318 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc5nc(O)oc5c4)sc3C)ccc21 1859573579 MQCFLMJUWLIPPS-UHFFFAOYSA-N 484.559 4.065 10 10 JICE COC(=O)c1ccc(Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)o1 1860826527 GAQKWAGEYGVPQK-YBFXNURJSA-N 484.555 4.135 10 10 JICE CC[C@](C)(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862112665 STKFEVXKBROIOP-SANMLTNESA-N 488.028 4.140 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028730 ZCPPNYGRPXJPSS-JOCHJYFZSA-N 494.979 4.198 10 10 JICE O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1Cc1ccc(O)c(O)c1 1951601772 FPZDQCRDOCDLTI-JTSKRJEESA-N 459.498 4.222 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079854378 GITIXYXHEZPNOD-LBPRGKRZSA-N 455.218 4.048 10 10 JICE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080054801 VTHDSDREBYEFSU-AWEZNQCLSA-N 475.277 4.236 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NCc1c(O)cccc1Br)CO2 2160177029 IFHLBNNDQVSZCE-SFHVURJKSA-N 475.383 4.205 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(CN=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2180960770 GTLRBSZHTWLRME-UHFFFAOYSA-N 470.618 4.485 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 2294244438 IZVRXSOJLUUANK-UHFFFAOYSA-N 463.471 4.003 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)C1=O 2294279981 NGYFZCXCUSHLJD-UHFFFAOYSA-N 457.486 4.076 10 10 JICE COCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296703981 FIUMOGXTCIJDSS-UHFFFAOYSA-N 469.613 4.002 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 2296881595 QHJRZLKUTVTDBS-UHFFFAOYSA-N 476.649 4.365 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(OC)c4)cc3)C2=O)cc1 2297364204 MFXIVGAKYHPQDF-UHFFFAOYSA-N 470.481 4.143 10 10 JICE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1)C(=O)O 2314931414 NYUOOGJETAIKJE-AWEZNQCLSA-N 484.599 4.382 10 10 JICE Cc1noc(C)c1Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326954640 LQEXGDCZIQQZTC-UHFFFAOYSA-N 455.561 4.360 10 10 JICE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc21 11858045 VVCMQXGFPFOLPN-UHFFFAOYSA-N 457.577 4.264 10 10 JICE COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 15056081 COYCUGCUJYQZRU-JAIQZWGSSA-N 450.541 4.355 10 10 JICE COc1ccc(N2CCN(C(=O)CCn3cnc4scc(-c5ccc(C)cc5)c4c3=O)CC2)cc1 26005201 QQSUZYMHARYYJS-UHFFFAOYSA-N 488.613 4.181 10 10 JICE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1cccc(C)c1 27531693 DNOWQJABYSQJIS-RCCKNPSSSA-N 459.589 4.309 10 10 JICE CC(C)C1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=O)N=C2S1 102465244 XTPGVXYLCYOPLA-HTYYESGYSA-N 488.978 4.383 10 10 JICE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)N3CCCc4cc(S(C)(=O)=O)ccc43)c2C)cc1 206719547 ZPCQERKNEUJRSQ-OWBHPGMISA-N 463.603 4.253 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1OC 208733683 RZCIJRLAOVORDH-UUASQNMZSA-N 451.331 4.232 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)CC1 1301712462 FHOLLVQLKWDTMH-UHFFFAOYSA-N 456.541 4.066 10 10 JICE CCOc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1858074806 RQAYDZWMFTZSKQ-QHCPKHFHSA-N 459.656 4.274 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1O 1858594063 JQYPVTSDIUEGNF-KOMLCTQHSA-N 458.605 4.304 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028056 OLUNFKAKCMKQIZ-BXKMTCNYSA-N 488.588 4.055 10 10 JICE CCCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865840089 CXOZUHCSDFNBBI-OAQYLSRUSA-N 496.519 4.264 10 10 JICE COc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296091149 ABXNGQDKIIXPGT-UHFFFAOYSA-N 451.482 4.365 10 10 JICE CCn1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21 2313549025 LLJOEBQEFPNHIQ-UHFFFAOYSA-N 452.308 4.399 10 10 JICE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2314509049 RRZXSGABTMPLJW-UHFFFAOYSA-N 495.582 4.034 10 10 JICE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 33785696 DTRDUNJUCOFSCP-LWCDXBROSA-N 480.546 4.109 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCCc1ccccc1 40937785 CDLMWBYPWCZQCT-HKWRFOASSA-N 457.573 4.383 10 10 JICE COc1ccc(C2=NN(C(=O)COc3ccc(C=O)cc3OC)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413249 CBGIHXTUCNIULG-VWLOTQADSA-N 487.556 4.339 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCOc2ccccc2OC)cc1 205965464 HCHXAKDDKNUNGE-LGUFXXKBSA-N 487.556 4.406 10 10 JICE Cc1cc2c(n1-c1cc(I)cc(I)c1)CCC[C@@H]2N 709796629 BUCUPRQXHKRFLP-AWEZNQCLSA-N 478.115 4.331 10 10 JICE O=C1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(C(F)(F)F)cc2N1 1614976249 BIBKGTCWMUHVDB-JKSUJKDBSA-N 450.457 4.366 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(OCC)cc1 1860668032 RRWTVBISCSEXHN-KRWDZBQOSA-N 489.663 4.454 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1OCCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057732 BYXYUPNFHVGMAF-DEOSSOPVSA-N 467.610 4.121 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868481645 YKXSEPVPYIBJJG-UHFFFAOYSA-N 493.571 4.125 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1869139443 XRGKCLCEUKYVRD-CJFMBICVSA-N 491.611 4.480 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCCCc3ccccc3)CC2)cc1 1870554655 RVNPKHBQFDKFHU-UHFFFAOYSA-N 461.606 4.211 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccs4)c3)CC2)cc1 1874735655 QTKCPVJDUUKWTD-UHFFFAOYSA-N 450.560 4.371 10 10 JICE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106878220 VXLAPBKYDBTBCP-VWLOTQADSA-N 460.619 4.446 10 10 JICE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 2296252609 OTRUBEQSOITLKZ-UHFFFAOYSA-N 479.920 4.431 10 10 JICE O=C(NN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)c1ccc(Br)cc1 2296761489 RVTOGDHPDFFDRN-UHFFFAOYSA-N 458.362 4.477 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313557630 IABMDPJYUILQDK-UHFFFAOYSA-N 481.867 4.251 10 10 JICE Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=CN2CCN(c3ccc(F)cc3)CC2)SC1=S 2313610553 ZFOIDOCXEJERGJ-UHFFFAOYSA-N 458.540 4.071 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 2313630072 FEXUUMSDTYFOQD-HNNXBMFYSA-N 478.401 4.422 10 10 JICE O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)SC1=CC=Cc1ccc([N+](=O)[O-])cc1 2313830387 GECOJLGIEYVLGX-UHFFFAOYSA-N 452.511 4.078 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(F)cc4)[nH]c3C)CC2)cc1 9405098 RSBQIXWKEWQSBO-UHFFFAOYSA-N 450.558 4.080 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1 11730779 MGLLUOFOHMKMED-UHFFFAOYSA-N 455.337 4.112 10 10 JICE CC(C)N1CCCc2cc(CN3CCC4(CC3)C(=O)N(CCCc3ccncc3)C(=O)N4C)ccc21 14541111 UOHMPSUTKWALRP-UHFFFAOYSA-N 489.664 4.104 10 10 JICE COc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 33456828 ZLZOSHYJUCAAIR-UNOMPAQXSA-N 493.313 4.138 10 10 JICE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 33469496 QAPKSUCNWJRRMH-CJLVFECKSA-N 492.670 4.483 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526285760 CHHRRNRGCZRUQI-HSZRJFAPSA-N 489.480 4.037 10 10 JICE O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088687475 WNOCDFVYRQKETF-LKBVRNOZSA-N 473.519 4.354 10 10 JICE CCN(CC)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 1858590176 AKOQLAHPLOSSJZ-YFQSIASUSA-N 456.589 4.136 10 10 JICE COc1ccc(Cl)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866535321 HERQCNBYMMASDY-OAQYLSRUSA-N 483.012 4.213 10 10 JICE Cc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866732008 DDWXAZYVVCRNRD-ZCYQVOJMSA-N 498.579 4.016 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868838954 JJXDGQGRFCPPAI-LVXARBLLSA-N 465.638 4.412 10 10 JICE O=c1c(/N=N/c2ccc(CS(=O)(=O)O)cc2)c(-c2ccc(C[N+](=O)[O-])cc2)[nH]n1-c1ccccc1 2037834401 PFLOZNVYEFAUTK-OCOZRVBESA-N 493.501 4.413 10 10 JICE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2079987244 WKXAJPALRCYZGA-KRWDZBQOSA-N 472.323 4.357 10 10 JICE CC(C)(C)OC(=O)NCC1(NCc2cc(F)cc(F)c2O)CCN(Cc2ccccc2)CC1 2130843275 MEPYJQRVUIZIIP-UHFFFAOYSA-N 461.553 4.320 10 10 JICE COc1ccc(Br)c(CN[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1O 2227748286 MLMUVLOPJOQLPA-MRXNPFEDSA-N 477.277 4.110 10 10 JICE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 2296056395 XJAAUEDQNKHQPT-UHFFFAOYSA-N 487.585 4.206 10 10 JICE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2313548474 VVVKUPFJNJVRCW-UHFFFAOYSA-N 471.351 4.333 10 10 JICE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2314541583 OFBLDXURYQMNJB-CYBMUJFWSA-N 485.370 4.173 10 10 JICE COC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 2314759969 HRVRDBBLZAUDBE-UHFFFAOYSA-N 488.425 4.399 10 10 JICE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314832049 YPILSITTYZZPGM-HNNXBMFYSA-N 470.572 4.050 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)cc2)o1 2314913602 AMQLKVODQVUMSP-UHFFFAOYSA-N 482.562 4.338 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/NCCC(c1ccccc1)c1ccccc1 19608101 SJMCVKVOSWDRDQ-HEHNFIMWSA-N 459.546 4.269 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 20236872 RMZLTWBOIHXWFM-NMAPKEJLSA-N 468.853 4.286 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413139 PHABCNFONQNESR-RBUKOAKNSA-N 456.955 4.030 10 10 JICE CN/C(C)=C(\C(=O)Nc1ccccc1)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1O 103739950 KSVMVHPQIUYRAK-QJOMJCCJSA-N 451.548 4.091 10 10 JICE CCOc1cc(/C=C2\SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc(Br)c1O 104761589 DVBJKCXFFZRDFZ-NVNXTCNLSA-N 463.309 4.334 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 210720928 NPHSGLXMRJREIR-XDHOZWIPSA-N 465.556 4.486 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 526498457 DNGYUGAXLWYFIH-RUZDIDTESA-N 474.513 4.000 10 10 JICE COc1cccc(-n2c(C)nnc2SCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 746426181 MYFIPZZJBJBDRN-UHFFFAOYSA-N 475.618 4.443 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCCSc2nccs2)CC12CCCCC2 1706002310 ZFIUPOSFAMSZEE-UHFFFAOYSA-N 476.716 4.487 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019123 GQMQXNSSTFVUKA-ZUOKHONESA-N 482.968 4.109 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033324 XIWVQVMEAQIKED-HSZRJFAPSA-N 490.604 4.248 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900406 XALSNDMXBLNJEU-FTJBHMTQSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869969930 AMLZXEZTWLIDHK-UHFFFAOYSA-N 468.989 4.241 10 10 JICE CCOCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168622 CDSRQCANVQGQGR-UHFFFAOYSA-N 497.599 4.267 10 10 JICE O=C(O)CCCCCN1C(=O)C(=Cc2ccccc2I)SC1=S 2040447009 NXKBWFCYAWLKRG-UHFFFAOYSA-N 461.346 4.137 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080054753 VESUJDZRIXYEGY-KRWDZBQOSA-N 468.335 4.135 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296849730 HJDIOPIPAGEURW-QFBILLFUSA-N 494.642 4.148 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 2297334355 PAXALVRUZAXYST-UHFFFAOYSA-N 479.714 4.176 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O 2297341138 ZIAJXUCUJIKKPP-UHFFFAOYSA-N 455.681 4.418 10 10 JICE CCN1C(=O)C(=C2C(=O)N3c4c(cc(OC)cc42)C(CN2CCCCC2)=CC3(C)C)SC1=S 2297580275 WIABUNSDQPPWIL-UHFFFAOYSA-N 483.659 4.295 10 10 JICE COC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2314761490 UNXYNUXCEBQRAZ-UHFFFAOYSA-N 487.002 4.411 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCCc1ccccc1 2314767731 HSIRFJQIWYCULH-UHFFFAOYSA-N 471.600 4.471 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 2314930101 XPHQPUFFXQYWAD-INIZCTEOSA-N 476.963 4.128 10 10 JICE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1)C(=O)O 2314931415 NYUOOGJETAIKJE-CQSZACIVSA-N 484.599 4.382 10 10 JICE CCCN1C(=O)/C(=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 1191702 OYMOHKZQAJCCMI-QZQOTICOSA-N 468.600 4.275 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=N)N12 20114742 SJOHJWLFHVFSOE-MKBIQDCJSA-N 460.924 4.482 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33445243 HPQQGBRWTUYSBT-UYRXBGFRSA-N 462.600 4.005 10 10 JICE CCOc1ccc(C2=NC3(CCN(C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 65298114 YZCRPHLONGEJHM-OAQYLSRUSA-N 458.400 4.499 10 10 JICE biogenic O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1nc2ccccc2s1 206726375 UEGXXSUWRDMECI-FOWTUZBSSA-N 459.643 4.308 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526613515 JIGOPSZNLLVGNW-XMMPIXPASA-N 461.470 4.375 10 10 JICE CCCC[C@@H](NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862200085 YUGCTLUATWFLLS-RUZDIDTESA-N 481.637 4.023 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008029 AERSTLGKUTYELQ-OAQYLSRUSA-N 482.968 4.102 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865031723 MXADQGPDURDWSV-JTSKRJEESA-N 488.588 4.467 10 10 JICE Cc1nc2c(Br)cccn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865781671 WIIXZGLYTQTFGP-UHFFFAOYSA-N 460.287 4.433 10 10 JICE CCCc1nc(N2CCN(Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976274 GJBMYLPPCRDUSY-UHFFFAOYSA-N 486.664 4.087 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970207 FRJPWKAGHVUTSS-UHFFFAOYSA-N 481.000 4.385 10 10 JICE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc3[nH]2)cc1 1872739224 BFFWXJPWJKWSSO-UHFFFAOYSA-N 451.571 4.331 10 10 JICE O=C(C=Cc1cn(Cc2ccccc2)nn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 2040481933 DHTUAVKKPPSJAM-UHFFFAOYSA-N 458.543 4.406 10 10 JICE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NCc1cc(Cl)cc(Br)c1O)C2 2156837025 LVLQQTGOZSSBEJ-SPCQOBBISA-N 461.784 4.113 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 2293993134 JIZLZABEXUJTHJ-UHFFFAOYSA-N 489.326 4.425 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 2297306669 ZLCREGOGIPHKBX-UHFFFAOYSA-N 494.931 4.276 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C(=O)N=C2S1 2297463171 MTUNPKOWXXLYIP-UHFFFAOYSA-N 478.530 4.422 10 10 JICE CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 2313510767 OKTSJWPJFNQQFF-UHFFFAOYSA-N 451.519 4.018 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 2313631195 FRAQMTLJPNMECW-UHFFFAOYSA-N 470.913 4.450 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314508698 PZXNEEOAHNVBOW-UHFFFAOYSA-N 481.599 4.341 10 10 JICE CCN(CCN=[N+]=[N-])C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2315992026 GKMKYTKODJHYRC-UHFFFAOYSA-N 459.288 4.411 10 10 JICE Cc1ccc(CNc2cc(F)c(I)cc2N)c(O)c1Br 2380722480 PXAISLPUXJWZKI-UHFFFAOYSA-N 451.077 4.401 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 20154774 OCYCVRZNINMMTK-WPTKKBASSA-N 498.586 4.101 10 10 JICE CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 27515432 RAJXKMYYSHZUBG-WOJGMQOQSA-N 450.347 4.388 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 33414434 SEXSHNLAXDZDTE-YCWTWADVSA-N 450.520 4.182 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 83293361 OCGGWORBVHTKPW-CLCOLTQESA-N 488.540 4.021 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 101993352 IDTLYALKOGQRGH-BHIFYINESA-N 489.886 4.483 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4ccccc4F)[C@@H]3C2)cc1 169677449 BHOWXGMVVOAZTG-SQHAQQRYSA-N 475.564 4.027 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208272743 IHDOFJKWJHHOFS-PZUDMAOCSA-N 466.632 4.486 10 10 JICE CCCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OCC)cc1 586300954 CUHNASQDEVBXDH-UHFFFAOYSA-N 477.538 4.383 10 10 JICE COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)CC2)cc1 726712894 FPWYTDQDQOAMMD-LJQANCHMSA-N 479.556 4.442 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)ccc4C)c4ccccn34)CC2)cc1 1858225495 ZNWXACPSLAHIOT-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4CC)cs2)cc1 1859574070 NMMACEFWYLPVIS-UHFFFAOYSA-N 457.577 4.309 10 10 JICE CCCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1862060536 ZVILCJVGNRUHGH-HHHXNRCGSA-N 487.600 4.304 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862142817 CAHDMLAGALOWGC-CCCDLHSFSA-N 479.646 4.082 10 10 JICE CCOC(=O)c1c(NC(=O)c2ccc(O)nn2)sc(C)c1-c1ccc(Br)cc1 1866108470 QHZABSGODJPHSX-UHFFFAOYSA-N 462.325 4.411 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866205021 RWHBPNQWZKNVAD-NHCUHLMSSA-N 492.597 4.341 10 10 JICE CCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867824846 QCIZFQQOYJZIMV-UIOOFZCWSA-N 464.654 4.303 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868481582 WGVNKCMMPZUOCU-QHCPKHFHSA-N 477.524 4.277 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174858 LTQFTCQOWUGYPH-SZPZYZBQSA-N 473.621 4.401 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCc4ccccc4)cc3)CC2)cc1 1872718289 GBOTWSAEAADRBM-UHFFFAOYSA-N 466.603 4.218 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168777 JHIXOFNVZZSNBT-JOCHJYFZSA-N 475.614 4.247 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1873170066 NDXWKHIWSXCLHT-UHFFFAOYSA-N 494.680 4.312 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048681 VZZGTMLMQBSTRF-MRXNPFEDSA-N 452.292 4.065 10 10 JICE CCOc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1 2294623611 HXMVAOBETLEZFA-UHFFFAOYSA-N 462.527 4.444 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 2297347445 ODNJSTHRZVNKMZ-UHFFFAOYSA-N 453.882 4.257 10 10 JICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147722 TVFHUWKLDPZFCN-UHFFFAOYSA-N 462.477 4.387 10 10 JICE O=C(O)Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1 16922658 OOCUUVHZQUNCEC-ATVHPVEESA-N 492.525 4.145 10 10 JICE C=CCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33507188 PZWMOXASSUSVKL-RGEXLXHISA-N 462.600 4.045 10 10 JICE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 33553288 JNNKZPBLTOENIY-NISQSXRWSA-N 480.615 4.024 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 33714098 ZMQXPYILMQDTAB-LSZLNTRYSA-N 471.498 4.186 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781527 XCYSJZDAFVKIII-PDGQHHTCSA-N 468.579 4.365 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989558 OSQGJEXOHGLVHZ-ZGFXFUDXSA-N 496.633 4.342 10 10 JICE O=C(Oc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 83311606 AKKVZQZFQOPPER-LSCADSNKSA-N 470.528 4.194 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526328612 PQVBIHCFDMGICB-QHCPKHFHSA-N 479.485 4.189 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Cl)c1O 1084164218 PZXSGAGZIVBOAM-GHXNOFRVSA-N 483.677 4.012 10 10 JICE CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)ccc21 1656349164 NHQOSFVNXDGLMT-UHFFFAOYSA-N 451.592 4.180 10 10 JICE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705702539 NIDREXJLSWSDCA-SQJMNOBHSA-N 453.631 4.183 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccc(F)c1 1860343625 JYKXESJZJWSFOH-UHFFFAOYSA-N 452.489 4.030 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc4ccccc34)CC2)cc1 1862237205 JOMDMLBACQZUSL-RUZDIDTESA-N 477.630 4.049 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864014638 ZJRWSPAWPJOPQZ-WJPUGNRLSA-N 468.598 4.046 10 10 JICE CSCC[C@H](C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987054 GYCVLEGPMSDAKP-HSZRJFAPSA-N 459.571 4.216 10 10 JICE Cc1ccc(C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421469 ZQTGSHZRCRIDTG-UHFFFAOYSA-N 456.590 4.465 10 10 JICE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1873552166 NFKWPFRVIFSHJQ-UHFFFAOYSA-N 478.641 4.295 10 10 JICE O=C(CCCC(=O)N1CCO[C@H](c2ccccc2)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017343 OVUGGJQSEMWBEK-DEOSSOPVSA-N 482.536 4.171 10 10 JICE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1Cc1ccc(O)c(O)c1 1906070307 FPZDQCRDOCDLTI-HTAPYJJXSA-N 459.498 4.222 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2124510865 CAMYGFDLEOKHJH-FQEVSTJZSA-N 456.591 4.237 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(Br)o2)SC1=S)c1ccc(Br)cc1 2314764563 GLBWPCFRFZLAPD-UHFFFAOYSA-N 488.182 4.351 10 10 JICE CC[C@@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330447739 KAVIIQMWKQMSPG-JOCHJYFZSA-N 452.510 4.399 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 16192466 DZYYBRZBNQEGCC-PDGQHHTCSA-N 498.538 4.029 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 20208151 FSRBLLYSEJAGJS-UYEXWIMWSA-N 496.401 4.022 10 10 JICE CCOc1cc2c(cc1/C=C1/C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C1=O)OCO2 33333124 SZGYQYWFQAWHSE-SXGWCWSVSA-N 458.923 4.031 10 10 JICE COc1ccccc1CCC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 62694706 OWHBIINNDRTALP-UHFFFAOYSA-N 477.580 4.202 10 10 JICE N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 96460983 QWODTNOGLPMHKR-HORDIMCOSA-N 476.539 4.138 10 10 JICE CCN1C(=O)/C(=C\C=C\C=C2/C=CN(CCCS(=O)(=O)O)c3ccccc32)SC1=S 143899823 RNRVTQXYASAOGR-HHJKPDIVSA-N 462.618 4.002 10 10 JICE O=C(Nc1cccc(C(=O)NCc2cccnc2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586705129 SCCRSNRNXKTWLV-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CN(C)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1 1084489499 FHYAGCZQOPLBSJ-HHHXNRCGSA-N 463.606 4.385 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(O[C@@H](C)c4ccccc4)cc3)cc2)CC1 1638586874 DAEKHEDJQXULLL-NRFANRHFSA-N 457.574 4.425 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(Cl)c4)c4ccccn34)CC2)cc1 1858229040 MTYCPHJEMSXOLZ-UHFFFAOYSA-N 489.963 4.211 10 10 JICE CCCOc1ccc(CNCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OCC 1860720185 XGVGRCIUDOLLKR-UHFFFAOYSA-N 472.541 4.378 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864008054 AULSXZOLOLSEIY-GANZUKCXSA-N 488.588 4.041 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031937 RPYHLAUTQNWHLG-VGSWGCGISA-N 488.588 4.324 10 10 JICE C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867652280 IFVRHKXQJIVNOE-JIPXPUAJSA-N 472.633 4.368 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873164757 QPNYEEMPDWKYCT-OAQYLSRUSA-N 456.590 4.086 10 10 JICE CCCCOCCCN1C(=O)C(NCCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165723 RHNVLWBIBHDFFX-UHFFFAOYSA-N 467.610 4.007 10 10 JICE CCN(CC)CCCN1C(=O)C(NCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167272 ZBHUICPORQEYND-UHFFFAOYSA-N 450.627 4.152 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(=O)O)c1I 2080051675 CEWWAGVTIBBHKR-GFCCVEGCSA-N 458.296 4.197 10 10 JICE CC(C)(C)OC(=O)NCC(C)(C)OCCNCc1cc(Cl)cc(Br)c1O 2278398771 IBBPUDMTXSTCGX-UHFFFAOYSA-N 451.789 4.218 10 10 JICE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2297312682 PDVDANCKDQHKBW-UHFFFAOYSA-N 476.627 4.313 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N12 2297341018 DXSSORQEDLWNSS-UHFFFAOYSA-N 452.561 4.392 10 10 JICE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314827913 PCHOZJNNLHMKJX-UHFFFAOYSA-N 479.377 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)Cc4ccc(Cl)cc4)o3)CC2)cc1 9115844 RMOKAXCOCFHGGQ-YTTGMZPUSA-N 472.994 4.353 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)ccc4F)n3)cc21 11857610 BNSDGCHSJXQUAE-UHFFFAOYSA-N 461.540 4.194 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14476254 BGQRYFBYZAALOY-YDIMBITNSA-N 450.539 4.199 10 10 JICE COc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 15051109 YGCGTJXUUGHUGU-LWGZSDGXSA-N 464.568 4.175 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33740323 KLUJCOUBRIHVCO-QCTYTHNYSA-N 471.473 4.107 10 10 JICE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1C 34234804 JZPKPGFNORQKSK-MLPAPPSSSA-N 460.240 4.186 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 40938036 PWVAXELCTGMSNM-VXPUYCOJSA-N 487.002 4.411 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413708 CLMQLWDVCBGJEJ-IQDKPADRSA-N 470.554 4.450 10 10 JICE COCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N(c2ccccc2)C1=O 96484217 UNVXAGYLWUTUCK-HZHRSRAPSA-N 460.461 4.387 10 10 JICE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)n1-c1ccccn1 106074793 VZUKBFIJRYUXTM-UHFFFAOYSA-N 452.580 4.306 10 10 JICE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1ccc(S(=O)(=O)O)cc1 575731190 GXAINUJWJLZRPI-GOSISDBHSA-N 455.521 4.240 10 10 JICE COC(=O)c1c(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)sc(C)c1-c1ccc(C)cc1 1860628141 WXYVCYBGKHDYRG-LJQANCHMSA-N 470.591 4.175 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccccc4C)n3)CC2)cc1 1867959981 FCCHATWBTXQXIL-VXKWHMMOSA-N 473.621 4.401 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c3ccccc3)CC2)cc1 1868832374 WURBAYAFTXSDIG-ZONZVBGPSA-N 487.575 4.144 10 10 JICE CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870788052 DOWSFIUOFYGRKC-UHFFFAOYSA-N 462.594 4.325 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526122 FQEJNYKLTIVHLZ-UHFFFAOYSA-N 485.592 4.194 10 10 JICE COc1cc(Br)cc([C@H](CCCC(=O)O)NC(=O)OCc2ccccc2)c1O 1952142470 XWQMCXICAVMFOP-INIZCTEOSA-N 452.301 4.386 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079038497 ZOJOKPRYJOXEAO-GFCCVEGCSA-N 468.213 4.464 10 10 JICE C[C@@H](c1ccccc1O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268738287 UDFLVEASUDIYCF-IBGZPJMESA-N 454.567 4.366 10 10 JICE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 2297469800 WBSDMQDPUCAVBB-UHFFFAOYSA-N 469.592 4.441 10 10 JICE CCCOc1ccc(C=C2SC(=S)N(C3CCN(C(=O)OCC)CC3)C2=O)cc1OC 2323858193 QCABUJAISUZTPA-UHFFFAOYSA-N 464.609 4.306 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)n1-c1cccc(F)c1 8938078 ZNOXZUKQXHZUGO-VWLOTQADSA-N 485.462 4.485 10 10 JICE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 72413284 KVZADQVWVOMMIN-XMMPIXPASA-N 475.520 4.470 10 10 JICE CCCCN1C(=O)/C(=C/c2cc(I)c(O)c(OCC)c2)SC1=S 96577056 RVSUBDBZAGQVFD-LCYFTJDESA-N 463.362 4.397 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1 248119037 CSYOKZKUDYEGCH-UHFFFAOYSA-N 492.498 4.187 10 10 JICE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1C 1084175086 RJEFPYOEDUCDFI-NHDPSOOVSA-N 457.486 4.106 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013365 WOWBFSBBVVAZMC-HXOBKFHXSA-N 490.604 4.213 10 10 JICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccc(Cl)nn1 1867272031 ZGOMFLUPWBNUHR-HSZRJFAPSA-N 496.910 4.015 10 10 JICE CCCCC[C@H](CC)N1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166897 KDRZTISWDDZKQL-QHCPKHFHSA-N 478.637 4.259 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCCN(C)C)C2=O)cc1 1873421121 IBMVOBJCMNFSFC-UHFFFAOYSA-N 460.553 4.377 10 10 JICE CCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422704 KUWQQIQVNXJXBZ-UHFFFAOYSA-N 483.616 4.058 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N1C(=O)OC(C)(C)C 2106841286 METNLLZDDMHHTO-CALCHBBNSA-N 460.619 4.396 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 2296565690 JQFHUIOCQCUPSC-UHFFFAOYSA-N 490.512 4.025 10 10 JICE COCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2296705151 WNURNWMPBKNGHM-UHFFFAOYSA-N 483.640 4.392 10 10 JICE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356414 YQYGGGMNKQNCDO-ZRAMOQLOSA-N 475.574 4.207 10 10 JICE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 33604694 KPTTYHMYCVRAGU-VVEDBRRQSA-N 489.616 4.305 10 10 JICE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCCOCCOc1ccccc1 83297178 JPWOLFZOMNMLSM-NKFKGCMQSA-N 478.932 4.276 10 10 JICE Cc1ccc(C(=O)O)c(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210496296 FTCHELJHLVBCII-CXUHLZMHSA-N 478.498 4.135 10 10 JICE CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)s1 211917536 WFTMEPAHRRIRDG-XNTDXEJSSA-N 456.574 4.200 10 10 JICE Cc1noc(C)c1CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1 586194624 PJKUSGWGHBAEEU-UHFFFAOYSA-N 472.522 4.462 10 10 JICE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)cc1C 1705886136 VEHJKBYCUJKZIG-DHIUTWEWSA-N 455.647 4.258 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864014206 PJPVRJZBUSXZOT-NRFANRHFSA-N 496.995 4.321 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014332 SGGGVMWFESUEIL-JOCHJYFZSA-N 482.540 4.171 10 10 JICE CCOc1cc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 1865677415 HWFCYOOMXLDCLO-BOPFTXTBSA-N 469.504 4.132 10 10 JICE CSCC[C@H](C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)N1C(=O)c2ccccc2C1=O 1865987625 XTDJXCFPFJLYOQ-JOCHJYFZSA-N 461.543 4.418 10 10 JICE CCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870633702 GTAPZRTZGIFBRN-UHFFFAOYSA-N 477.605 4.047 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCOc4cc(C)cc(C)c4)cc3)CC2)cc1 1872884309 QCYXZMLBFVRIGB-UHFFFAOYSA-N 473.617 4.443 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873164350 XQYVCBDVUWUWRC-OAQYLSRUSA-N 461.587 4.204 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873164891 XJVPKZPOIDGGNG-UHFFFAOYSA-N 487.600 4.434 10 10 JICE O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016967 JEBWRRCEUNXSME-UHFFFAOYSA-N 495.510 4.386 10 10 JICE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c(I)c1C(=O)OC 2079953150 SKWHILKVIUXMSA-KRWDZBQOSA-N 454.308 4.159 10 10 JICE CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 2296397859 CEIGJHMFFLPSKB-GOSISDBHSA-N 461.518 4.336 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCCOc4ccccc4Cl)c3)C2=O)cc1 2297500220 SZXIWQYZLNWDLH-UHFFFAOYSA-N 492.915 4.473 10 10 JICE CCSc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)s1 2314578500 SBYHIKWTQPSRNS-UHFFFAOYSA-N 457.027 4.143 10 10 JICE CCOc1c(Br)cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1OC 2314740989 QVUCJISNWGKMIT-UHFFFAOYSA-N 488.425 4.257 10 10 JICE O=C(O)CCCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2688807 DWNKPPFBBDSPMH-QZQOTICOSA-N 466.584 4.450 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 6508471 KFBRVGDNZJIRBQ-DEDYPNTBSA-N 470.572 4.434 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 6997647 PLYKKHGPDFAEAP-YBEGLDIGSA-N 455.785 4.314 10 10 JICE O=C(Cc1c[nH]c2ccccc12)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=S 13163461 JDNWVJSFEFPEOD-JMIUGGIZSA-N 465.556 4.093 10 10 JICE CCN1C(=O)/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 1083856787 VDPJKUIGDBMGBB-WQRHYEAKSA-N 468.376 4.099 10 10 JICE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1[N+](=O)[O-] 1084617563 VYWVATMWSYKCBT-BKUYFWCQSA-N 458.474 4.319 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCC(C)C)[C@H](C)C1 1301714136 VQJILSFHEWOQGS-JOCHJYFZSA-N 492.668 4.472 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccccc3Oc3ccc(C)cc3)cc2)CC1 1638587059 JFPACFJIKHMQAY-UHFFFAOYSA-N 457.574 4.315 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860758234 HKWAXSNBSLPMQM-HNNXBMFYSA-N 480.970 4.108 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 1860827016 NXKSVTDOTBELLW-UDWIEESQSA-N 497.573 4.485 10 10 JICE CCCC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665889 QTLHBKLJRHPJNA-PTGBLXJZSA-N 463.578 4.301 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826761 HFOAGYPEPBGZHF-LBNVMWSVSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)N(c5ccccc5)[C@H](C)C4)nc(C)n3)CC2)cc1 1869294186 RWSCZZMXNPVJOB-FGZHOGPDSA-N 472.637 4.224 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 2296733037 PVUDYSUQKRFLLA-UHFFFAOYSA-N 464.547 4.428 10 10 JICE O=C1C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297295904 XPKXLEFIBHBPKU-UHFFFAOYSA-N 482.293 4.377 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(Cc4ccco4)C3=O)c2C)cc1Cl 2297463423 ZVIHCYQOEKNTOB-UHFFFAOYSA-N 453.951 4.476 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1O[C@@H](C)C(=O)O 2314936110 VIPRXAZRNKEGJO-ZDUSSCGKSA-N 489.571 4.360 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 2328574488 PTJVOIANHMAPHA-MHZLTWQESA-N 473.548 4.054 10 10 JICE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 3079147 VEDWKRKKCAFQRT-VIZOYTHASA-N 484.342 4.213 10 10 JICE CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 20238918 WRLIKXNOVXZFBJ-TUQWILOLSA-N 457.493 4.193 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 33436325 LHHTXKGWAXRVLN-CPNJWEJPSA-N 486.571 4.022 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 33931279 IABOLPMFEXXMRQ-WMUNWQNWSA-N 498.586 4.191 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2C 1859572875 OHFJLCRTMAVIQM-UHFFFAOYSA-N 492.966 4.390 10 10 JICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864012123 RQVOTTKCXGFIDT-XMMPIXPASA-N 490.604 4.125 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(OC)c(Cl)c4)ncc3[N+](=O)[O-])CC2)cc1 1871309163 QIGHPFSUPHNOES-UHFFFAOYSA-N 470.917 4.126 10 10 JICE COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C(C)C)cc1 1891477471 YZMQUISIIXPGIW-MNUJBRLQSA-N 493.673 4.394 10 10 JICE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 2293452836 WEOCWTHMIRNXAT-UHFFFAOYSA-N 476.308 4.043 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3c(C)nn(Cc4ccccc4Cl)c3C)C(=O)NC2=S)cc1 2295182066 WYMFCGHELFTUCE-UHFFFAOYSA-N 464.978 4.341 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCCC3)nc12 2296698681 DQIWWVKOIKSWRH-UHFFFAOYSA-N 476.627 4.047 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)o1 2297296634 STQJWFUIIRABQK-UHFFFAOYSA-N 484.262 4.087 10 10 JICE CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 2297332655 XSUYJRVVNLOVPG-UHFFFAOYSA-N 464.861 4.443 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837442 SHJSQIQIQAULAR-LLVKDONJSA-N 491.388 4.376 10 10 JICE COc1cc(C=CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1OC(C)=O 2325352698 BPWPUSKEWPEVLP-DEOSSOPVSA-N 465.594 4.043 10 10 JICE Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1ccc(F)c(Cl)c1 8761512 HZRZCUNCJDKNOF-UHFFFAOYSA-N 454.845 4.388 10 10 JICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 15010444 PQHZWVQVQQGTCC-ZSOIEALJSA-N 495.782 4.341 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33470599 MFLOREUEUNFIRV-NBVRZTHBSA-N 474.652 4.233 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33861228 AEKFCIVIJQKSEQ-NGYXKBBWSA-N 494.642 4.231 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccc(C(C)C)cc3)c3ccco3)CC2)cc1 56943713 VKUIPJBKPPZPAY-SANMLTNESA-N 477.605 4.470 10 10 JICE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226741862 RFJHWUUUBYSOLP-HYFFOGBASA-N 475.954 4.096 10 10 JICE COC(=O)[C@@H]1SC(c2ccccc2)(c2ccccc2)[C@H](C(=O)OC)N1c1ccc(OC)cc1 230213849 DEALLQDWYUBIHY-GOTSBHOMSA-N 463.555 4.233 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)C1 1359357100 YQTZXYYVHVUOQE-LJQANCHMSA-N 474.531 4.220 10 10 JICE COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@H]4C(=O)O)c(O)ccc3c2=O)cc1 1615247735 WNGGGYLJNNKCNU-INIZCTEOSA-N 463.408 4.242 10 10 JICE CC(C)c1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)s1 1860347478 RBXWROWUJRLKQJ-XMMPIXPASA-N 486.601 4.402 10 10 JICE O=C(C[C@H]1CCCCO1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867247454 CXKRSATZNCREQY-CJFMBICVSA-N 496.563 4.087 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccc(O)cc3)CC2)cc1 1870612421 BAKNHBLDJKSKCU-UHFFFAOYSA-N 489.616 4.278 10 10 JICE Cc1ccccc1N1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)NC1=S 2040386991 DSYDHTCEVHUCPE-UHFFFAOYSA-N 472.522 4.104 10 10 JICE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106868294 QYOPFFKEUNKMHD-NOZRDPDXSA-N 452.643 4.355 10 10 JICE CCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296053654 WZLZPIDZFGQGHK-IBGZPJMESA-N 494.642 4.150 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 2296700135 AJMISMXTYVBQLD-UHFFFAOYSA-N 451.573 4.058 10 10 JICE CCOC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2314761107 PWVAXELCTGMSNM-UHFFFAOYSA-N 487.002 4.411 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 1208759 CLHHPVRDTYDKJM-XDHOZWIPSA-N 455.923 4.362 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)c(C)c1 2533044 SPYJNJMLWFBZBD-QZQOTICOSA-N 465.600 4.269 10 10 JICE COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)cc1 20236824 NBWFCDCMZVBHHX-GUOILJMFSA-N 453.882 4.257 10 10 JICE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066426 ZELJPWHBJFQXRO-ODLFYWEKSA-N 452.605 4.270 10 10 JICE C[C@H]1CN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 211944244 SEHWRASYNAIICD-UCLBXIDTSA-N 466.628 4.180 10 10 JICE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526389164 OKABPLYROAVFSX-VWLOTQADSA-N 475.520 4.046 10 10 JICE CC(=O)N[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cccc(Br)c1 1628873853 OFRMRLVMEUJSQF-JOCHJYFZSA-N 458.400 4.275 10 10 JICE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSc2nccs2)CC1 1705784968 QLPPBNGRQYWETG-UHFFFAOYSA-N 474.681 4.311 10 10 JICE CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)sc(C(=O)OCCc2ccccc2)c1C 1865956873 KJYYPIQWEBYODB-UHFFFAOYSA-N 466.559 4.396 10 10 JICE CCC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571304 NOUOSBMWVBTWPS-FQEVSTJZSA-N 475.570 4.001 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228352 MXGJVUYMRSVKMH-GOSISDBHSA-N 499.390 4.060 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)c2C)cc1 2294106473 NGFVPBNNIHZPMR-UHFFFAOYSA-N 471.513 4.164 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC 2314769605 SNKFWXONNGUPIY-UHFFFAOYSA-N 474.398 4.011 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 21658978 MDNVVIAGDWSXGI-DEOSSOPVSA-N 477.568 4.276 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)on4)ccc3C)CC2)cc1 33173459 VKESWZZYRYJHJS-UHFFFAOYSA-N 481.496 4.188 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2cccc(F)c2)C(C)C)c(OS(=O)(=O)CC)c1 37421028 NTJSWWFMAOMIGX-UHFFFAOYSA-N 450.576 4.451 10 10 JICE COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)c1C 59104377 UVHVMWKQGDPAPM-WQRHYEAKSA-N 474.425 4.277 10 10 JICE CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 65060296 WVQXNWRNOCESCT-UHFFFAOYSA-N 473.620 4.037 10 10 JICE O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1 96544491 MVBMRUODWFNGLO-LICLKQGHSA-N 471.238 4.008 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1084468277 DWQDJLIPPHHUBL-JLHYYAGUSA-N 471.853 4.479 10 10 JICE COc1ccc(OC)c(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)c1 1857992204 NSMYGZZBXUHHKR-UHFFFAOYSA-N 451.548 4.205 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc21 1860588495 VEBNDYLZVNRJNC-UHFFFAOYSA-N 470.500 4.021 10 10 JICE Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2ccc(F)cc12 1866295360 VTAMHLHUOZVVQK-QFIPXVFZSA-N 451.542 4.264 10 10 JICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](CO)C2)n1 1868387018 OMBFPFSSCWCVQR-KRWDZBQOSA-N 456.546 4.157 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1869209283 SITNYARQACEAGM-NHCUHLMSSA-N 459.594 4.092 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCCCCO)CC2)cc1 1870484823 UKFNHRPGYWJHOI-UHFFFAOYSA-N 497.680 4.301 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)c1C 2294095481 SWQDMYVMZGOUHN-UHFFFAOYSA-N 470.481 4.247 10 10 JICE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cc1 2902516 MRDAFPKOHPHDPA-ZHZULCJRSA-N 470.597 4.038 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640913 QPEYKYRHPLSQGK-GLDPYIMESA-N 470.591 4.323 10 10 JICE O=C(O)COc1cccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1 16909559 TUUVPXOBBYHWRH-OQLLNIDSSA-N 450.335 4.318 10 10 JICE CCCCC(=O)Nc1ccc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(=O)O)c2c1 33260685 GXYNWPZSUJWVGA-UHFFFAOYSA-N 462.550 4.397 10 10 JICE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cc(C)cc(C)c4)ncn3)CC2)cc1 65133695 KAQLPLPHMIEELR-UHFFFAOYSA-N 463.607 4.159 10 10 JICE CCN(CC)P(=NN=NC1=NS(=O)(=O)c2ccccc21)(N(CC)CC)N(CC)CC 263621587 LLWWKZOSAQTNJB-UHFFFAOYSA-N 455.569 4.474 10 10 JICE C[C@@H]1CN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2F)C[C@@H](C)O1 727307182 KHLLLASAIYXRPA-NHCUHLMSSA-N 496.627 4.020 10 10 JICE COC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)sc(C)c1-c1ccc(C)cc1 1866268755 IYWYZTZBZURQRY-UHFFFAOYSA-N 493.516 4.461 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccccc4)n3)CC2)cc1 1869193687 LMGIVHXYFCZONV-UHFFFAOYSA-N 459.594 4.094 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(Br)cc4)c3C)CC2)cc1 1869931261 VPLDPSQAWPGXCJ-UHFFFAOYSA-N 483.410 4.152 10 10 JICE CCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167417 GOTFPYNVNSFEMK-UHFFFAOYSA-N 450.627 4.296 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(N4CCCCC4)cc3)CC2)cc1 1873534267 WNNVBYJVIBCBRF-UHFFFAOYSA-N 496.615 4.106 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCC(C)C)n4CC(C)C)CC2)cc1 1873576730 LYVWSTNFUBIPQU-UHFFFAOYSA-N 478.641 4.198 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079844491 NFJDOCRWCLZSSY-ZDUSSCGKSA-N 496.223 4.308 10 10 JICE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2201347454 DXKSNBDKSUMNDQ-MRDQGFSESA-N 472.630 4.303 10 10 JICE COc1cccc(C=C2SC(=S)N([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 2296885527 YQQZMIUJZMDBKE-HNNXBMFYSA-N 465.600 4.125 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccccc3OCCOCCOc3ccc(C)cc3)C(=O)N=C2S1 2297306505 CZSRKQXWILUHQI-UHFFFAOYSA-N 478.574 4.499 10 10 JICE COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)NC(=S)N(C)C4=O)c3C)cc2)cc1 2297617386 HRUQXUBMVZXXBK-UHFFFAOYSA-N 461.543 4.152 10 10 JICE Cc1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc([N+](=O)[O-])c1C 2313559550 ZRXUBPIKESXUDR-UHFFFAOYSA-N 465.462 4.442 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2cc(C)ccc2C(=O)O)C1=O 2314934624 IVYXWCGXOABFSN-UHFFFAOYSA-N 452.557 4.479 10 10 JICE CC[C@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330473457 AYJWOXWFRXDEFE-VWLOTQADSA-N 463.622 4.250 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccccc1Cl 2332141338 QMLUPXXIVKVWDA-UHFFFAOYSA-N 453.760 4.368 10 10 JICE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 3652474 VKECBDAQCCBXAG-SFQUDFHCSA-N 452.561 4.043 10 10 JICE Cc1cc(C(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 10532349 HNRXHMUERAWEIJ-UHFFFAOYSA-N 453.347 4.310 10 10 JICE COc1ccc(N2CCN(CCN[C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 22937421 SILRNLKOTYJQAQ-AREMUKBSSA-N 487.579 4.386 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OCC 27550004 KAQZSSSXUHLUDS-NVNXTCNLSA-N 465.731 4.361 10 10 JICE O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Br)cc1 33909976 LGKNDQQCIZESKD-GHXNOFRVSA-N 466.085 4.424 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 57015870 CDBIFHALWAKBEW-AFMDSPMNSA-N 495.645 4.456 10 10 JICE CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 96460195 GEEPXAFOTHCDLC-KPQKMHLXSA-N 483.619 4.229 10 10 JICE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NCCN/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 101350654 LRXWUSLJSBSVCJ-YXHOTNNGSA-N 484.604 4.012 10 10 JICE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccco2)SC1=S 208271647 YGYIPXNRUVFRPN-WOJGMQOQSA-N 456.593 4.255 10 10 JICE COc1ccc(CNc2cc(I)cc(I)c2)c(O)c1 709786756 XOTXENQBACQPMR-UHFFFAOYSA-N 481.071 4.222 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864019332 IVTPVFQDUIIXGV-HSZRJFAPSA-N 490.604 4.133 10 10 JICE CCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870371478 GZQVOMYHBBFIFT-UHFFFAOYSA-N 499.652 4.091 10 10 JICE CCCCOCCCn1cc(OCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870654751 FFXQHSXPTASTBS-UHFFFAOYSA-N 471.642 4.175 10 10 JICE COCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166217 HFHHUNUOPPYTGK-UHFFFAOYSA-N 463.965 4.264 10 10 JICE CCCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168976 SLTMJFQUNBPRFI-UHFFFAOYSA-N 473.573 4.391 10 10 JICE CC[C@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179550 JLSWOPYHWIDXRG-FYSMJZIKSA-N 452.510 4.471 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccc(OC)c4)cc3)CC2)cc1 1874740218 RJFYHENBYHYILM-UHFFFAOYSA-N 474.557 4.318 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccccc4OC)cc3)CC2)cc1 1874752819 HJOLFROKAZZSDR-UHFFFAOYSA-N 473.573 4.351 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080042851 MIUMVBJNAAKZLV-MRXNPFEDSA-N 484.334 4.285 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 2297341062 MYDASVFQTHWZBE-UHFFFAOYSA-N 482.587 4.483 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1OC 2297347457 RPLOLVNFBWTAAT-UHFFFAOYSA-N 463.490 4.002 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C(O)=NC2=S)c(OC)c1 1128483 SAUXZVNRDFGTAY-UNOMPAQXSA-N 476.558 4.486 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C)cc3)c3ccc4c(c3)OCO4)CC2)cc1 8601199 VNJDOFJAKZOUJL-VWLOTQADSA-N 473.573 4.026 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 15047121 NSTPMJRHJBUMBW-QIQQCEGHSA-N 470.572 4.100 10 10 JICE CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)SC1=S 207810089 DZVRZBSDMXJZON-ODLFYWEKSA-N 459.545 4.153 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3c(C)cc(Br)cc3C)CC2)cc1 743294131 AWSYYLFIUVSYRQ-UHFFFAOYSA-N 461.404 4.018 10 10 JICE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1460740520 IVCTVDDHRQOJJU-GXDHUFHOSA-N 456.411 4.420 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2sc(C)c(C)c2C(N)=O)sc(C)c1-c1ccc(C)c(C)c1 1860768229 XBEIWJGGHARADJ-UHFFFAOYSA-N 499.614 4.481 10 10 JICE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012339 XXHWGMLDRFACSD-XMMPIXPASA-N 488.588 4.021 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2124510859 BYXRLDBFNFCWBK-FQEVSTJZSA-N 456.591 4.095 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1=Cc1cccc(Br)c1 2294037488 KRDVBZJJFQTIOV-UHFFFAOYSA-N 458.308 4.344 10 10 JICE Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 2297334525 KNOFLZTWECXKSI-UHFFFAOYSA-N 471.469 4.457 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297511443 LMBWMODVQSVIHJ-UHFFFAOYSA-N 473.967 4.316 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)o1 2313548730 DGITVZZCZLZZSC-UHFFFAOYSA-N 461.430 4.147 10 10 JICE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314836456 FMSNWWQZVYXICQ-HNNXBMFYSA-N 470.572 4.050 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 1134104 SZJMYQJXEQHLFC-HNMKQIAWSA-N 479.583 4.175 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(O)ccc4ccccc24)N3)CC1 14547982 MOHOTXYWGGLLKK-UMTXDNHDSA-N 475.614 4.308 10 10 JICE CN(C)c1ccc(/C=C2\SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 33417554 HWOPUSHOOMYRTI-STZFKDTASA-N 473.067 4.387 10 10 JICE CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc(OC)c1O 36617119 QAMYDMMEYXBISN-PDGQHHTCSA-N 453.451 4.072 10 10 JICE Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N([C@@H](C)C45CC6CC(CC(C6)C4)C5)C3=O)c2O)cc1 101112785 JDWDBKNWRAXAFF-GZWUCHOSSA-N 488.588 4.261 10 10 JICE O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 105349555 ZOACFOCCFNDGAK-AREMUKBSSA-N 478.545 4.259 10 10 JICE COc1ccc(N2CCC(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CC2)cc1 110473298 MMFMHQDSHAIXCD-KRWDZBQOSA-N 462.516 4.111 10 10 JICE Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@@H]23)c1 253574349 SMMJTBMRNQENQR-QGENPCKLSA-N 465.505 4.247 10 10 JICE CCC(=O)N1c2ccccc2-c2c(O)nc(SC)n[n+]2[C@H]1c1ccc(N(CC)CC)cc1 261366417 ZPAJNQJHDNHBNK-QHCPKHFHSA-O 450.588 4.008 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 504485023 DLFULURRXRHXMS-QNVWVOQGSA-N 482.511 4.397 10 10 JICE biogenic CCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc1OCC 1858590340 KUOQTRJRCMVJBQ-IQGJIOQQSA-N 455.623 4.282 10 10 JICE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)n12 1858593874 BMPWHECSBKJBTB-JGWKKKPCSA-N 463.993 4.255 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 1862234572 YIMZUPKSDCMVBQ-FADXNGITSA-N 499.611 4.141 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012576 DIWBEMGVIXKXPD-HSZRJFAPSA-N 490.604 4.070 10 10 JICE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865029508 PBWRGPHBXJVRBI-DEOSSOPVSA-N 490.604 4.391 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030222 GHYCPTDEVYDHAN-JOCHJYFZSA-N 482.625 4.389 10 10 JICE CC/C(=C\C(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868664790 LMYPRBHPJGFGGH-NMUBOVIUSA-N 479.621 4.131 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873164040 JGDBUIXBYFKELO-XMMPIXPASA-N 455.558 4.143 10 10 JICE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Br)c(F)cc1F 1891941607 XFRAIVJTQGNSSG-ZFWWWQNUSA-N 457.340 4.195 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2040499482 ZJNWUYBXRDZEPZ-UHFFFAOYSA-N 496.662 4.093 10 10 JICE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 2040582366 YKFXZYBNYPFRLX-UHFFFAOYSA-N 460.559 4.241 10 10 JICE CC(C)(C)OC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2079183212 NEOIYLNANVMYHI-UHFFFAOYSA-N 486.203 4.355 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 2297560532 LUUULYXDNDGZDJ-UHFFFAOYSA-N 463.471 4.085 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314827491 GDSYCIRJVQCIBE-UHFFFAOYSA-N 454.573 4.402 10 10 JICE Cc1ccc(CN[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(O)c1Br 2327622671 ZWKLKTWVKQUZJF-HNNXBMFYSA-N 461.278 4.410 10 10 JICE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1Cl 20356365 KFFJVZIWXJYBTJ-BVDVPRQSSA-N 482.997 4.429 10 10 JICE O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35517193 BKQNGPCILFQZNE-CPNJWEJPSA-N 464.524 4.120 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c(OS(C)(=O)=O)c1 37422385 RNKLBDRHYAMUHK-UHFFFAOYSA-N 474.554 4.446 10 10 JICE CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54311046 OIWZATGICRUDJJ-GBXCKJPGSA-N 472.651 4.078 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@H](C)COc1ccccc1 101425692 ZXBMNCCZVRQNTQ-IQJJTXKVSA-N 458.514 4.251 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F 103521478 XUEXUCMYBJIFBJ-DEDYPNTBSA-N 463.412 4.246 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCc4ccccc43)CC2)cc1 248132672 LPCVFGWQESTPRX-LOSJGSFVSA-N 461.606 4.130 10 10 JICE CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084549912 XZPIWVSUOWZZJL-XFFZJAGNSA-N 483.746 4.472 10 10 JICE O=C1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(-c3cccnc3)cc2N1 1616061147 LYEMIZCHAWISLY-RBBKRZOGSA-N 459.546 4.409 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc([N+](=O)[O-])c4)c4ccccc34)[C@H]21 1860347553 WLCUIFGCDZNRQM-SANMLTNESA-N 481.512 4.335 10 10 JICE CC(C)COC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826719 JTXQJWSJVLOAEX-BKQORJHRSA-N 474.604 4.468 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864020942 ITDXUKGNNOEOPV-HSZRJFAPSA-N 484.556 4.220 10 10 JICE CCN(CC)c1ccc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866473290 RLFQKTJKWUMNOW-UHFFFAOYSA-N 465.509 4.402 10 10 JICE CCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900407 XALSNDMXBLNJEU-IZZNHLLZSA-N 464.654 4.303 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873162288 OFIQORKQAXGONO-RUZDIDTESA-N 487.575 4.324 10 10 JICE O=C(N[C@@]1(c2ccc([N+](=O)[O-])cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762863 NOOORRFARYPXMY-SQJMNOBHSA-N 460.442 4.139 10 10 JICE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079875780 ZGFCQBHZYFOOMD-OAHLLOKOSA-N 492.260 4.316 10 10 JICE Cc1cc(O)c([C@@H](C)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080042509 HWVDOUMYYCUHTK-MRVPVSSYSA-N 454.186 4.136 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1C 2293417995 RAUQQKLGGIPWNQ-UHFFFAOYSA-N 461.493 4.421 10 10 JICE CCOc1ccc(C(=O)O)cc1C=C1C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 2297336635 JCLJFOCQHKZXOC-UHFFFAOYSA-N 486.480 4.029 10 10 JICE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4cccc5ccccc45)cc3)C(=N)N21 2297345020 IJORLJWAKZMLGQ-UHFFFAOYSA-N 490.566 4.040 10 10 JICE NS(=O)(=O)c1ccc(-n2cccc2C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1 2297578337 UGYZILWRZPENMW-UHFFFAOYSA-N 494.882 4.127 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836524 GHRRRPKBPKEYCB-LBPRGKRZSA-N 451.529 4.095 10 10 JICE CCCC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105275 OPDRXHAMQXLSDR-UHFFFAOYSA-N 481.568 4.127 10 10 JICE Cc1ccc(CNC(=O)c2sccc2I)c(O)c1Br 2352634098 QLEIHSFSRGWRGJ-UHFFFAOYSA-N 452.111 4.059 10 10 JICE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1 2997272 QZONATYFZYEZID-KDSDTBODSA-N 497.620 4.206 10 10 JICE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10913908 OEGNGEHONGIWPS-AREMUKBSSA-N 496.535 4.398 10 10 JICE O=C(CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 210673368 MBVSUDGXTPQLCZ-OVCLIPMQSA-N 467.450 4.454 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526332562 DRGHODBZSWGJEN-DEOSSOPVSA-N 476.485 4.131 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 1858074107 DDZYHIQKWQVVGR-OAQYLSRUSA-N 466.445 4.021 10 10 JICE C[C@@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)C1 1860347275 HABDIEJXCCTINP-WINIVTDRSA-N 456.590 4.437 10 10 JICE O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860554342 JBVQWRAIJSZNKO-UHFFFAOYSA-N 467.506 4.352 10 10 JICE CC[C@](C)(NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862205503 RBBIFUMZOAPVTR-KMRXNPHXSA-N 481.637 4.220 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4F)n(-c4ccccn4)n3)CC2)cc1 1862338643 AZRMPHMZEVYDPN-UHFFFAOYSA-N 475.499 4.184 10 10 JICE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865768605 RYIVERAVOVKZBG-UHFFFAOYSA-N 469.009 4.434 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(C(C)(C)C)cccc3c2=O)c2nccn2C)cc1 1866434493 DRHSBUGICNXKRM-QFIPXVFZSA-N 457.578 4.145 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869264928 KUAGJGZTTCKGGP-IBGZPJMESA-N 480.012 4.357 10 10 JICE CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870776340 KAXIHFPKQGWNBK-UHFFFAOYSA-N 491.632 4.355 10 10 JICE CSc1cccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)c1 1874179329 YJFPLIDFSUAPPY-HNNXBMFYSA-N 456.523 4.176 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 2297333745 MFBLAPHZYNOWOL-UHFFFAOYSA-N 472.573 4.306 10 10 JICE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(-c4ccccc4)o3)SC2=S)s1 2314490244 WFTMEPAHRRIRDG-UHFFFAOYSA-N 456.574 4.200 10 10 JICE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836151 AQTBFJJAHYDGDI-SECBINFHSA-N 454.396 4.134 10 10 JICE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1867839 PBDGUWDFMDZZME-QZQOTICOSA-N 465.600 4.352 10 10 JICE CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1 3022215 MDKXIUDUHHNLGS-UHFFFAOYSA-N 497.592 4.160 10 10 JICE Cc1cc(/C=C/C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)n1-c1ccccc1 23013185 AXPGUVCSTGDKGZ-MDWZMJQESA-N 458.562 4.017 10 10 JICE CCCC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C(=O)[C@@H](C)O2 96773059 MZEJRHHQTPEENA-MRXNPFEDSA-N 496.519 4.197 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccc(F)cc3)nc12 213186703 UQTWXRAJMSBIRA-UEXNTNOUSA-N 497.573 4.315 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3CN(C)C3CCCCC3)CC2)cc1 743277547 AZJMNMLHFHAUKQ-UHFFFAOYSA-N 479.669 4.403 10 10 JICE CCOC(=O)c1c(CN2CCCC2)n(C)c2cc(-c3ccncc3)c(O)c(CN3CCCC3)c12 1857514857 UBOVCYPYPWTMJN-UHFFFAOYSA-N 462.594 4.314 10 10 JICE COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860551747 MJTSOPBTPMQJLV-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CCc1ccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860593077 XXZXZQLTQUYZKH-UHFFFAOYSA-N 496.563 4.281 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864012453 ACMYTKVPXWKGHY-OAQYLSRUSA-N 496.995 4.169 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](c5ccc(F)cc5)O[C@H](C)C4)nc(C)n3)CC2)cc1 1869298317 MTRVILXUDWBYJL-KBMIEXCESA-N 477.584 4.226 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970608 UMPFDWULKFTORL-UHFFFAOYSA-N 482.588 4.092 10 10 JICE CCCCCOc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678014 FKSRZHSXPWVOGE-UHFFFAOYSA-N 465.594 4.389 10 10 JICE CCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871568414 PIBUFJPEBOBAKE-UHFFFAOYSA-N 468.005 4.156 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)cc1 1874749970 MDBXXUSUODBVLX-UHFFFAOYSA-N 461.537 4.482 10 10 JICE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(F)c(Br)cc1F 1891941358 JTGZGFMWGLRVNZ-ZFWWWQNUSA-N 457.340 4.195 10 10 JICE CCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2053512377 ZZTGZDCDJISBGZ-UHFFFAOYSA-N 464.616 4.269 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(=O)NC2=S)c1 2294204790 BLNPHVRFWYOOOQ-UHFFFAOYSA-N 458.539 4.496 10 10 JICE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2313558217 VVGLULYLDDWIIJ-UHFFFAOYSA-N 498.102 4.026 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650644 TVZDWQOKTPTPRS-HNNXBMFYSA-N 468.648 4.245 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2200149 WNURNWMPBKNGHM-QGOAFFKASA-N 483.640 4.392 10 10 JICE O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2277004 RXSFNMIIAHCXFZ-LDADJPATSA-N 480.527 4.123 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)CC2)cc1 9529016 ZKDXIJNUPLELLM-UHFFFAOYSA-N 450.539 4.102 10 10 JICE Oc1cc(O)cc(C[C@H]2c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 12153205 SJCXTMZZGQRDQF-UGKGYDQZSA-N 488.492 4.394 10 10 JICE biogenic CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)SC1=S 20921905 DZVRZBSDMXJZON-YBFXNURJSA-N 459.545 4.153 10 10 JICE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccco1 33457012 XLUABFOBZAQKSY-WJDWOHSUSA-N 452.850 4.012 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccs1 35962098 HVCXGTRSCDIJNR-OAQYLSRUSA-N 485.009 4.207 10 10 JICE CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 54311028 YBRHBGWVYXOQRF-GMAHTHKFSA-N 476.614 4.045 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 59382544 FTGGWTNJLUIKFI-XPWALMASSA-N 469.468 4.138 10 10 JICE COCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 213207933 AWQCDRZDENDSFP-UYRXBGFRSA-N 481.599 4.260 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 228772819 KJSJEXHHOUIIBQ-YNJKOYDBSA-N 482.024 4.266 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 1859573907 GUZYDUYHKRMRJF-UHFFFAOYSA-N 490.538 4.221 10 10 JICE CCN(CC)c1ccc(/C=c2\sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1 1860792534 RTYUVMPXLOLBMK-ODLFYWEKSA-N 475.401 4.431 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018586 OKZOJQKLNVHPMZ-LHSJRXKWSA-N 496.995 4.168 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnc4c(c3)c(C)nn4-c3cccc(Cl)c3)CC2)cc1 1866396594 KNYAUNXHLLJNRV-UHFFFAOYSA-N 461.953 4.353 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868707609 QNNHUVPYKXWMRP-XNMGPUDCSA-N 483.628 4.454 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080042645 JKTOEUGGMYINFB-KRWDZBQOSA-N 496.345 4.430 10 10 JICE CC(C)(C)OC(=O)NCC[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106705305 LJGGXPIYJMXSSS-KRWDZBQOSA-N 460.619 4.303 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 2293296168 DTRDUNJUCOFSCP-UHFFFAOYSA-N 480.546 4.109 10 10 JICE CCCCCOC(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2295914208 PYDBMOPFFQWFGM-UHFFFAOYSA-N 453.582 4.037 10 10 JICE CC[C@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330440411 XFYXHFWHGURJET-QFIPXVFZSA-N 476.404 4.259 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356514 KBTSHRYAKMZOGG-PUBJQGJFSA-N 465.560 4.030 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N(C)Cc2ccccc2)n(C)c(=O)c1C#N 33458083 NIOBLBHGQLUHCQ-CIAFOILYSA-N 490.610 4.196 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccco3)CC2)cc1 38598170 INJGYGRPXGYCHT-AEYMSQMJSA-N 463.622 4.484 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(C)c1 47133170 ZCWXHAYPVSNENY-WQRHYEAKSA-N 480.571 4.202 10 10 JICE CC(/C=C\c1ccccc1)=C1\SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 108169079 QWXPYFKYGNJUTD-JXDXWWCBSA-N 466.628 4.245 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)CC2)cc1 1086836273 AXCSWLFTEGXFAT-VAWYXSNFSA-N 454.933 4.344 10 10 JICE CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1567315589 UPQAWSVKKHZIMU-XWALVKJWSA-N 458.630 4.046 10 10 JICE CCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870445752 JTZKBMCUNKDYQJ-UHFFFAOYSA-N 499.652 4.090 10 10 JICE CC1(C)CC(=O)c2ccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2O1 1874178917 AWFWIQHPWGUXFN-UHFFFAOYSA-N 455.466 4.223 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(F)c1 2297342117 QIWXNWBUXYHEOH-UHFFFAOYSA-N 490.487 4.478 10 10 JICE N=C1C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297346860 PZTILEAYTTWHFC-UHFFFAOYSA-N 468.258 4.421 10 10 JICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2OCC)SC1=S 2314740323 HIAZUQPOCVNRSH-UHFFFAOYSA-N 458.399 4.392 10 10 JICE Cc1ccc(CN[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(O)c1Br 2327622672 ZWKLKTWVKQUZJF-OAHLLOKOSA-N 461.278 4.410 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15044621 FJOCNOCENBITCU-QNGOZBTKSA-N 498.626 4.228 10 10 JICE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)c1 59858791 ORKVXMOAXWPZFQ-WQRHYEAKSA-N 490.432 4.121 10 10 JICE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCCN5CCCCC5)cc34)CC2)cc1 65002080 UUKIXZKDPRQYGG-UHFFFAOYSA-N 487.648 4.176 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 102440079 RQPBIINIULGMNG-LICLKQGHSA-N 484.262 4.087 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526624602 LIFYMNYUGJFVMC-RUZDIDTESA-N 475.497 4.269 10 10 JICE BrC1=CCCN(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)C1 1507514911 QNTVZKXAJWVEHP-UHFFFAOYSA-N 477.457 4.392 10 10 JICE O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860554756 UHFQXTCUKCHYFV-UHFFFAOYSA-N 467.506 4.352 10 10 JICE CC[C@@H](N[C@H]1COCCN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2095856478 HKIXESGVVSIRQE-UYAOXDASSA-N 463.372 4.233 10 10 JICE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NCc1ccc(Br)cc1O)CO2 2160194027 QREALKYRDCXOCQ-HXUWFJFHSA-N 475.383 4.205 10 10 JICE COC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297306424 HKOPHTHVMGZBJQ-UHFFFAOYSA-N 463.964 4.302 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 1792593 RJWWCSPLGJHESL-FLJQVKMMSA-N 468.556 4.267 10 10 JICE CN1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 2457246 MBPKKVLNHBPZPB-UHFFFAOYSA-N 454.486 4.263 10 10 JICE CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C 8683129 JAMPVQPJGLFSQC-UHFFFAOYSA-N 475.589 4.388 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4ccccc4F)[C@@H]3C2)cc1 35872040 BHOWXGMVVOAZTG-IGKIAQTJSA-N 475.564 4.027 10 10 JICE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C[C@@H](C)O1 257631223 HFSLUJJSCOLKMR-WOJBJXKFSA-N 492.597 4.010 10 10 JICE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 729182603 UZDGRRMZJPJCQT-GOSISDBHSA-N 495.576 4.055 10 10 JICE CC1CCN(c2ccc(CNC(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)cc2)CC1 731402357 XRUQQOVYFBHYGZ-HSZRJFAPSA-N 471.623 4.197 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1465951617 PFCNZVRJPMHIRU-GMAHTHKFSA-N 453.970 4.090 10 10 JICE COc1ccc([C@H](CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)N(C)C)cc1 1858594188 OWLZOJKYPYTLLK-LANLRWRYSA-N 488.631 4.225 10 10 JICE Cc1nc2ccc(C(=O)N3CCN(c4ccc(C(=O)Nc5cccc(N(C)C)c5)cc4)CC3)cc2[nH]1 1860900773 OAKNPLOWJPUEOM-UHFFFAOYSA-N 482.588 4.152 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864021267 OKOJLTDCMMQCCS-LAUBAEHRSA-N 470.614 4.436 10 10 JICE CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)cc2C)cc1 1866286578 UBVRZMDHPYEGNN-UHFFFAOYSA-N 454.530 4.365 10 10 JICE CCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867824843 QCIZFQQOYJZIMV-CLJLJLNGSA-N 464.654 4.303 10 10 JICE CCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870769219 JRXSYIQWJCLXAB-UHFFFAOYSA-N 491.632 4.355 10 10 JICE Cc1c(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)n(C)c2ccccc12 2287599493 PHIGGWSMERACMO-UHFFFAOYSA-N 472.630 4.433 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 2293509163 BPCPEACXZKZERQ-UHFFFAOYSA-N 480.546 4.191 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 2313549393 VBOXOEBPUNDWIR-UHFFFAOYSA-N 473.323 4.140 10 10 JICE COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 9778741 ODYVVASDQBSYRN-XZOQPEGZSA-N 475.932 4.167 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 15037820 RNUCFEAMKCQQGM-PXNMLYILSA-N 468.478 4.347 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33474093 BSFOOVOVWJFOPV-NFBGKYEXSA-N 486.663 4.375 10 10 JICE [N-]=[N+]=N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 35024284 JRYQCEUTVAAQHC-WZYRSQIMSA-N 487.468 4.330 10 10 JICE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C[C@@H](C)O1 257631221 HFSLUJJSCOLKMR-BGYRXZFFSA-N 492.597 4.010 10 10 JICE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@H](C)O1 586671939 PIMOBBMMOZJEOG-IRXDYDNUSA-N 483.524 4.355 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1084340388 FYPDBTRMEBVGRZ-KQWNVCNZSA-N 471.513 4.279 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)N3Cc4ccccc4C3=O)CC2)cc1 1860218654 DVWYLRIMKWCTOF-AREMUKBSSA-N 490.003 4.265 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011481 VASRFLRQSABWIQ-XMMPIXPASA-N 496.567 4.247 10 10 JICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031834 PGFHEBVEIPVXFQ-JOCHJYFZSA-N 488.588 4.324 10 10 JICE Cc1cccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1C 1866284113 NRRCNBKWXLIFQQ-AREMUKBSSA-N 487.648 4.181 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(NC(C)=O)c4)cc3)CC2)cc1 1872884456 STDNEYFRXFWETD-UHFFFAOYSA-N 458.562 4.228 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873166290 KFSIIVLRCKYYSD-RUZDIDTESA-N 487.575 4.324 10 10 JICE CCc1ccc([C@@H](C)NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1 1873915823 KMALRHDSDKBAPY-OAHLLOKOSA-N 499.519 4.366 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079037936 RRFVAEWLTWCJLO-LBPRGKRZSA-N 466.197 4.218 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079993917 ZFOKWNTZVBEFHP-KRWDZBQOSA-N 470.307 4.413 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(N)=O)c1I 2079997989 KSJKQQUQHFBHOP-CQSZACIVSA-N 453.324 4.176 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCc4ccccc4C3)nc12 2296056429 GBMSLAGJFLHLBA-UHFFFAOYSA-N 476.627 4.175 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 2313559363 XCFQBBUAGGUMHD-UHFFFAOYSA-N 464.474 4.094 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330081765 JVWDXDSNTDQXIF-MUUNZHRXSA-N 483.612 4.175 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989542 QEUQPTHVRPUYML-YQODDJSKSA-N 478.643 4.203 10 10 JICE CN1C(=O)C(C)(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc21 170549577 LIAVUJJWXXCYFA-UHFFFAOYSA-N 492.966 4.427 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)cc1 213148979 MRAAMTKFJBZYKM-CYVLTUHYSA-N 481.599 4.287 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526560500 ODLISHDDGXIYHF-QFIPXVFZSA-N 455.413 4.450 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N(C)C)cc1 1084494941 QINFMDGTJAUGEN-ZHZULCJRSA-N 462.550 4.131 10 10 JICE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1084604682 DJKCHZGZLWFMPW-HMAPJEAMSA-N 471.513 4.198 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)C1 1540938181 VWUCXNZCJYTONH-QDPGVEIFSA-N 492.668 4.064 10 10 JICE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc21 1667136550 IAPLMORFNPUPGT-LJQANCHMSA-N 455.624 4.262 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864014623 ZGVQZTLUSMRZAL-QHCPKHFHSA-N 490.604 4.100 10 10 JICE CC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868671368 PXDBDFKKHOPOHX-BZPZRBNMSA-N 475.633 4.349 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868842410 MPJDKCRPJBXCJD-FTJBHMTQSA-N 497.705 4.330 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868843184 COPJBOWDUIVDKJ-LEAFIULHSA-N 465.638 4.377 10 10 JICE CCCCCCOc1cn(CCCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672567 VINZWKIGKVOUMX-UHFFFAOYSA-N 471.642 4.175 10 10 JICE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)SC1=S 1871287568 QFRJSPHKRWQTHZ-VXLYETTFSA-N 471.560 4.470 10 10 JICE COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2297104890 HEERMSZFHZBWRC-UHFFFAOYSA-N 451.276 4.277 10 10 JICE CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580242 JXIKKORIONZLLT-SFHVURJKSA-N 454.573 4.322 10 10 JICE CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2F)cc1 3024695 SNRPTLMVNIMLLW-UHFFFAOYSA-N 497.592 4.160 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 20236682 PKDHYMRMBHRNAU-PABRXHDTSA-N 488.319 4.189 10 10 JICE COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=N)N2N=C(c3ccco3)SC2=NC1=O 32964276 SRNGWJGLQIRJOO-QDAPBRAVSA-N 451.895 4.400 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33459455 SXJKDJHGTMPPLN-IQFISFIMSA-N 456.637 4.239 10 10 JICE CCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OC 40937878 DZRVZPDTVUHKAW-PTNGSMBKSA-N 488.425 4.401 10 10 JICE COC(=O)/C=C/c1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 110025483 OJZUPFSIRMVGBF-VMSUTVGLSA-N 452.442 4.354 10 10 JICE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 256039121 WCAMNGZDCQBUKT-NHCUHLMSSA-N 453.410 4.480 10 10 JICE CS(=O)(=O)N(CCCOc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586185699 CLXWJOUAGWQPHW-UHFFFAOYSA-N 469.946 4.351 10 10 JICE COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 748863016 ZRRWFCHRERMJEL-UHFFFAOYSA-N 453.402 4.269 10 10 JICE CC(=O)N1Cc2ccc(NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)cc2C1 1566198424 DEVVVGNBJSBFMU-UHFFFAOYSA-N 453.340 4.366 10 10 JICE COc1ccc(CC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860505966 GBKNKFQENOSNOI-UHFFFAOYSA-N 491.503 4.299 10 10 JICE COc1ccc(Cl)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866448598 GEMXWJAPVKSQFK-UHFFFAOYSA-N 458.857 4.218 10 10 JICE Nc1ccc(NC(=O)c2cc(O)c3cc(Br)cc(I)c3n2)cc1 1866533172 LIPYTLOIBFRMAZ-UHFFFAOYSA-N 484.091 4.142 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986871 VPTUQHDARSGPCA-UHFFFAOYSA-N 490.627 4.148 10 10 JICE CCC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684863 XWUAOEBFYRBDOU-YADARESESA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3cccc(Cl)c3)C(C)C)CC2)cc1 1868954321 OSKUHVALCBQSAM-RUZDIDTESA-N 472.029 4.161 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccccc3)C2=O)cc1 1873165959 YCVHCQWHDOZWMP-UHFFFAOYSA-N 457.574 4.389 10 10 JICE CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422556 CTHMMHZIUOMTID-UHFFFAOYSA-N 460.490 4.223 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426433 YCGSVQPQQIJSHD-UHFFFAOYSA-N 469.520 4.391 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1892078958 VQTISOUQJZUDHC-NSHGMRRFSA-N 494.082 4.107 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C(N)=O)c2I)cc1C 2080002349 WGVPONGGRJOJAF-MRXNPFEDSA-N 467.351 4.206 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080052375 MOLVAXIHRDURLL-CQSZACIVSA-N 462.234 4.445 10 10 JICE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N=C2S1 2296397847 BIJKEHQOHCVYAE-UHFFFAOYSA-N 466.523 4.430 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C(=O)NC2=S)cc1 2297328749 IZCJRFBNPGNUBN-UHFFFAOYSA-N 451.331 4.232 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N21 2297345528 FKFOVFOEMBLFSH-UHFFFAOYSA-N 490.010 4.067 10 10 JICE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 2313683389 YXNSYYNKPUHFRL-UHFFFAOYSA-N 456.502 4.461 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)ccc1O 15040971 VBPGABMGSBTIQN-ZHZULCJRSA-N 456.589 4.089 10 10 JICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15048092 BNPQQRCRYYIAGJ-UXEDPAHQSA-N 475.419 4.344 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 33316888 ITNCUXODLYMCBV-QURGRASLSA-N 495.626 4.298 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066555 YXRROQBOTIORAP-BKUYFWCQSA-N 490.610 4.214 10 10 JICE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 96450461 MYDASVFQTHWZBE-ARFHJRQPSA-N 482.587 4.483 10 10 JICE COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCOC4)c(O)ccc3c2=O)cc1OC 1615247749 XTFBNAYHZGPEHW-UHFFFAOYSA-N 465.424 4.381 10 10 JICE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc(N3CCOCC3)cc2)C1=O 1860087823 VMGKONPNDOQVLG-WOJGMQOQSA-N 456.618 4.255 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(OCC)cc1 1860668033 RRWTVBISCSEXHN-QGZVFWFLSA-N 489.663 4.454 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033363 YASIHYMQQUNSRL-QHCPKHFHSA-N 488.588 4.002 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914184 BPMZKIVGRGWZQF-FTJBHMTQSA-N 494.680 4.393 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(-n4cccc4)c3)c3ccccc3)CC2)cc1 1868612325 HBSZLNNNLAXPBQ-NDEPHWFRSA-N 494.595 4.306 10 10 JICE CCC[C@@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868665817 CBQYEQFDLPUGJJ-QEBGPUIJSA-N 479.621 4.131 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(C)c3C)n4C)CC2)cc1 1873650343 JLJWRGUBCDWICO-UHFFFAOYSA-N 470.577 4.173 10 10 JICE COCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2296705015 FGBTVVGTYATOQB-UHFFFAOYSA-N 469.613 4.083 10 10 JICE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297321400 KXDSHINPCLDVPN-UHFFFAOYSA-N 490.589 4.230 10 10 JICE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1 2297511396 HUSPYQMCABGOEH-UHFFFAOYSA-N 459.742 4.013 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC 2314761887 ZQGAKJBOHUWNPC-UHFFFAOYSA-N 488.425 4.401 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)cc(Br)c1O 2332107129 RBGNRZLDXJXRBK-UHFFFAOYSA-N 450.292 4.393 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14476256 BGQRYFBYZAALOY-KHCICDEESA-N 450.539 4.199 10 10 JICE CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1=O)=C\c1ccccc1 15051078 BPUYSWFHZPOIEL-BEUYGYBQSA-N 452.532 4.305 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33670551 PBLQBRKTJDXGAN-XDHOZWIPSA-N 498.630 4.224 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 54362178 KUDANLPWLAJGBZ-HSZRJFAPSA-N 468.619 4.346 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(Br)c(Br)s3)CC2)cc1 390875148 LCJMKSJFPWZOIT-UHFFFAOYSA-N 460.191 4.244 10 10 JICE CCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OC(C)C)cc1 586308897 LKWNSIAGYRZTCN-UHFFFAOYSA-N 477.538 4.381 10 10 JICE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1C 1858004090 JHEKXFJCSPKLQE-UHFFFAOYSA-N 452.579 4.315 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)cc1OC 1859573712 YYAHNWXHBRPYMP-UHFFFAOYSA-N 487.603 4.191 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)ccc21 1860605125 XCLRYFPRHLHRRL-UHFFFAOYSA-N 477.520 4.434 10 10 JICE COc1cc(/C=C/C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(Br)c1OC 1865912333 JXHALLSQOJIDDQ-PQCZLFTGSA-N 499.409 4.185 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265967 VIBFWLWIEMUVGA-NRFANRHFSA-N 468.509 4.017 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868480970 IRDUWYAARTYOPJ-HSZRJFAPSA-N 477.524 4.277 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C(C)C)nc(C(C)C)n3)CC2)cc1 1869103624 CKDILISPEZVLRW-SANMLTNESA-N 475.641 4.418 10 10 JICE CCNC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870970315 AESGGIJFPOEUQN-UHFFFAOYSA-N 483.572 4.162 10 10 JICE CCCOC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871235310 MMYJUDUOSWJGPR-UHFFFAOYSA-N 492.620 4.488 10 10 JICE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)SC1=S 1871286977 DJBPARYXZBICEG-AWQFTUOYSA-N 470.572 4.290 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873164932 ZETLNBFONBABQJ-UHFFFAOYSA-N 473.573 4.261 10 10 JICE CCCCCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169493 OHUZKVZVICWYLD-UHFFFAOYSA-N 492.664 4.066 10 10 JICE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079978460 AUPUHWCCNUSGJK-KRWDZBQOSA-N 465.335 4.176 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 2294216875 LASHJLAEPGERTO-UHFFFAOYSA-N 491.544 4.241 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2295934226 JNBQEJNUKABFIQ-UHFFFAOYSA-N 463.924 4.184 10 10 JICE COc1ccc([C@H](CNC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)N2CCCCC2)cc1 2314625278 WKZPEEKFINBYHB-QFIPXVFZSA-N 495.670 4.240 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2314837064 NSTPMJRHJBUMBW-AWEZNQCLSA-N 470.572 4.100 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837769 WMKMMMAVLUUEBM-ZDUSSCGKSA-N 461.406 4.355 10 10 JICE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10910391 WHCILUHDXDBPIJ-RUZDIDTESA-N 460.555 4.315 10 10 JICE O=C(COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cc(F)ccc1F 12311529 RRUWISUHKTYJGI-SIARZVSRSA-N 488.537 4.294 10 10 JICE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 12354090 ALMSDZAMBRECID-QNGOZBTKSA-N 463.471 4.169 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15040198 DSEFWXKTJBLUSN-ATVHPVEESA-N 472.504 4.123 10 10 JICE C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15045448 DYVFYJQSEFBAHQ-FFCYNSPCSA-N 463.378 4.383 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1 104674106 XRRMEVNLQKSKQJ-DEOSSOPVSA-N 451.611 4.096 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)CC2)cc1 108694648 LPCVFGWQESTPRX-RPBOFIJWSA-N 461.606 4.130 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCOCC1 250233854 CHUYJGCQJNFOKE-DXIQSLLYSA-N 475.408 4.297 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)cc1 1860084572 UYKYKVIABCHFFZ-DEDYPNTBSA-N 456.589 4.348 10 10 JICE CC(C)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826791 NBBYWMGEFCTEAS-MRCUWXFGSA-N 466.584 4.403 10 10 JICE COC(=O)c1c(NC(=O)C2(C(=O)OC)CC2)sc(C)c1-c1ccc(Br)cc1 1866184474 VIZVMQDHXTYTRS-UHFFFAOYSA-N 452.326 4.164 10 10 JICE CC(C)(NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866574267 KGXURUIVLQRFSJ-UHFFFAOYSA-N 479.536 4.409 10 10 JICE CC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679104 QKGQPXRAXLKBIO-FDDCHVKYSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868707608 QNNHUVPYKXWMRP-VPUSJEBWSA-N 483.628 4.454 10 10 JICE CCc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1 1873871956 FINOXUZIXJKIPJ-UHFFFAOYSA-N 471.465 4.127 10 10 JICE CN(C)c1ccc([C@@](C)(O)[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2058200440 WDDBXMPLWVFSTR-WUFINQPMSA-N 474.557 4.342 10 10 JICE CC(C)N1C(=O)SC(=Cc2cc(Br)cc(I)c2O)C1=O 2293803481 DPLZRFMYPWHWCM-UHFFFAOYSA-N 468.110 4.204 10 10 JICE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296056492 XBCGNQRWLOHYOZ-UHFFFAOYSA-N 469.526 4.207 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2296714366 PGNOHAULFADRCM-UHFFFAOYSA-N 469.426 4.204 10 10 JICE CC[C@@]1(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O 11791009 JHBVKJQCHBPGMK-QLTYUHAQSA-N 495.693 4.186 10 10 JICE CCOc1ccccc1NC(=S)N(CCN1CCOCC1)Cc1ccc2c(c1)CCCN2CC 20729398 AOPOAMOAQUWRJV-UHFFFAOYSA-N 482.694 4.389 10 10 JICE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 27527405 RSXIHKRPDWZYHF-CXUHLZMHSA-N 455.253 4.385 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)c2)CC1 1567652868 UZGVAWVUPCGUQS-UHFFFAOYSA-N 458.562 4.198 10 10 JICE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCN(C(C)=O)CC1 1705606043 WGORVDPRXHOMAB-UHFFFAOYSA-N 458.610 4.071 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030236 GMGGLSCDAGEEQG-HSZRJFAPSA-N 490.604 4.256 10 10 JICE O=C(C[C@@H]1CCCCO1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867253790 FURPWDBKACANNU-AFMDSPMNSA-N 482.536 4.217 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871650142 MGSGHBWBBOMUFL-UHFFFAOYSA-N 495.631 4.023 10 10 JICE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106875194 AOQBCTIXNGHTRY-QGZVFWFLSA-N 460.619 4.398 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C(=N)N12 2297344968 BLAKEUZAEGJLFH-UHFFFAOYSA-N 496.570 4.333 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccccc2C(F)(F)F)SC1=S 2323809323 ZSULEWUMBKEOAH-OAHLLOKOSA-N 453.463 4.308 10 10 JICE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 208271604 UOHHRAVWUJWFNE-GIJQJNRQSA-N 456.593 4.111 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1OC 526512371 QFKIRUIXXZNUAH-XMMPIXPASA-N 490.512 4.439 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526604686 VRMMGNINCLDCOH-MHZLTWQESA-N 485.584 4.211 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCC(C)C)CC1 1705980923 LSLWSOHLTMJPCP-UHFFFAOYSA-N 492.668 4.474 10 10 JICE CCCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858695871 ZWSDWMFUMLTQTO-MRXNPFEDSA-N 490.516 4.060 10 10 JICE COC(=O)c1ccc(Cl)c(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c1 1860714905 BSQQFGZGQDXPJJ-UHFFFAOYSA-N 476.154 4.367 10 10 JICE CCCC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862041383 IXPAEMNJWCJMMR-JOCHJYFZSA-N 488.426 4.095 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(Cl)ccc3OC)c3ccccc3)CC2)cc1 1862138068 DSOIKUJZAORHBY-VWLOTQADSA-N 493.991 4.177 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027917 NPRYAIOJSWFVMK-VWLOTQADSA-N 496.567 4.004 10 10 JICE C[C@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)CCO1 1868565195 VQTFDSSGUSTNSD-KRWDZBQOSA-N 477.524 4.283 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)COc4cccc(C)c4C)n(C(C)(C)C)n3)CC2)cc1 1869969912 ABRWPXDQTLIANO-UHFFFAOYSA-N 492.624 4.003 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873164834 UYRMDVOQFYMOKD-UHFFFAOYSA-N 477.008 4.179 10 10 JICE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106877107 IMEOZDGPPPYVMO-KRWDZBQOSA-N 460.619 4.398 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2294204957 YBKZWPQIFUIJAX-UHFFFAOYSA-N 453.863 4.340 10 10 JICE COc1cc(C=C2SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)ccc1O 2296940670 WRGFJZURLJWTRU-UHFFFAOYSA-N 463.481 4.212 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1C 2313548643 ARQJYAVKHFWYHW-UHFFFAOYSA-N 452.308 4.224 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 33812162 YYDYTMZPJWBZFP-JYAVETKUSA-N 458.653 4.049 10 10 JICE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 34255919 ZGSHKWQLBLCJLV-LLAIKHIMSA-N 494.642 4.148 10 10 JICE COc1cccc(O)c1CN1CCC2(CC1)c1ccccc1[C@H](NC(=O)c1ccsc1)[C@H]2OC 206129923 VYEZFKSKAKOHRF-LOSJGSFVSA-N 478.614 4.496 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270160 KQYRWQYGKXDJTC-VCHYOVAHSA-N 456.593 4.018 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226742483 IVYJJTADMLLOAS-KHCICDEESA-N 456.564 4.135 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526525216 HXBYPPABXHDWGQ-QHCPKHFHSA-N 491.496 4.349 10 10 JICE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccnc1 1705622569 MDMWCULTAYQKAB-UHFFFAOYSA-N 454.578 4.076 10 10 JICE CCCCC1CCC(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)CC1 1858958158 LMBZFGYUYXAJHQ-UHFFFAOYSA-N 487.622 4.359 10 10 JICE O=C(Cc1ccc(F)cc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860506803 COWKANCZAAJUFR-UHFFFAOYSA-N 479.467 4.430 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861944038 VYRDWACGFBPZOJ-AVSAXJNYSA-N 483.612 4.093 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862247496 RXUCJTMZAWBNJT-NRFANRHFSA-N 484.021 4.100 10 10 JICE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080054425 PYIMUSLXSZRIEN-HNNXBMFYSA-N 475.277 4.236 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2293039540 KVETYKHCSWJCBQ-UHFFFAOYSA-N 456.545 4.014 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCc3ccco3)nc12 2296698827 ZMEVBCCFNQKGKE-UHFFFAOYSA-N 478.555 4.202 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2297019478 CIKDNNREXYGLEQ-LLVKDONJSA-N 472.327 4.383 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 2297346125 FSRBLLYSEJAGJS-UHFFFAOYSA-N 496.401 4.022 10 10 JICE COc1c(Cl)cc(Br)cc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 2297560358 DFOJYHMMMMMVMF-UHFFFAOYSA-N 465.756 4.251 10 10 JICE Cc1cc(OCC(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)no1 2297714781 INRIXIFOSXXTKE-UHFFFAOYSA-N 452.385 4.094 10 10 JICE COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 21755378 FNYDBVGGPRJKDL-RUZDIDTESA-N 479.646 4.148 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 210465608 PISRTYKQFAMGRI-ZHZULCJRSA-N 473.572 4.088 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 255945384 GFMDBTNYNHKGRF-NTEUORMPSA-N 479.584 4.364 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526333439 LDOGBDQRJSGPGX-HSZRJFAPSA-N 476.485 4.131 10 10 JICE COc1ccc(N2CCN(c3ccc(NC(=O)c4ccc(Br)cc4)cn3)CC2)cc1 1858420026 ZBBCCZNKWBAMTJ-UHFFFAOYSA-N 467.367 4.432 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010222 KMCDLYIEAVAKQS-FQEVSTJZSA-N 482.968 4.110 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011695 KAZPLTFIDHKRSR-QFIPXVFZSA-N 496.995 4.305 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992381 PPSVKTPUQHSYAW-SFTDATJTSA-N 489.620 4.101 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=N)N12 2297348053 BSCLUAMSZOCTMC-UHFFFAOYSA-N 457.493 4.193 10 10 JICE CC1=NN(c2ccc(I)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 2297550782 IAQBKPVFLMWCIH-UHFFFAOYSA-N 474.327 4.350 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC 2313560854 JFQVCLYYAMOZBN-UHFFFAOYSA-N 479.714 4.176 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 2313570587 AJNOOAKRHAZENM-UHFFFAOYSA-N 460.303 4.101 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314831413 KODFLRZIQXZWSJ-UHFFFAOYSA-N 472.588 4.420 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)cc1OC)C(=O)O 2314932272 LMJFCTVNPOBYIK-INIZCTEOSA-N 459.545 4.352 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)ccc1OCCC(=O)O 2314933599 BUTVAPMPEQIQJB-UHFFFAOYSA-N 459.545 4.353 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cc(Br)c(O)c(OC)c2)cc1 2332107484 IJKNZASANICOQO-UHFFFAOYSA-N 480.318 4.401 10 10 JICE Cc1ccc(CNC(=O)c2sccc2CNC(=O)OC(C)(C)C)c(O)c1Br 2380723732 WVCMLDCLTVBKRS-UHFFFAOYSA-N 455.374 4.479 10 10 JICE Cc1ccc(CN=c2[nH]c3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(O)c1Br 2380795451 LJPQNGZNODUSBL-UHFFFAOYSA-N 454.390 4.247 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C)cc4C)n3)cc21 11857522 CWDRCUZBJWAJIE-UHFFFAOYSA-N 457.577 4.363 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)ccc4C)n3)cc21 11857533 BCHNJSHHEAOETB-UHFFFAOYSA-N 457.577 4.363 10 10 JICE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)ccc1Cl 33333434 XSIMRXXNJYKPIQ-CPNJWEJPSA-N 494.887 4.025 10 10 JICE COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1C 33788548 WZLSVBZNQYWEFX-ODLFYWEKSA-N 487.468 4.116 10 10 JICE CCOc1ccccc1N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 205947610 LRKFYPUQWQFFIA-KGENOOAVSA-N 450.520 4.347 10 10 JICE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCCSc2nccs2)[C@H](C)C1 1286882896 MSERYRCGIJEVBH-LJQANCHMSA-N 484.695 4.149 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(C)cc(C)cc4C)c4ccccn34)CC2)cc1 1858227588 FWIBPGCUOXERAG-UHFFFAOYSA-N 497.599 4.483 10 10 JICE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4c(Cl)cccc4C(=O)O)cc3C2=O)cc1 1859547954 KCOUADOLPAMBLJ-UHFFFAOYSA-N 464.861 4.095 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1cccc(F)c1 1860344948 JTDNPDIGRDFIHP-UHFFFAOYSA-N 480.543 4.462 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864011591 VZQAIGDHUXPURX-SZNDQCEHSA-N 496.995 4.499 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(CC)cc1)=C(N)O2 1864014417 UPVVBKAQIQAUOM-WAIKUNEKSA-N 490.604 4.401 10 10 JICE CCN(CC)c1cc(C)c2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(O)c2c1 1866560862 KUOIYJKZUSFMJI-SANMLTNESA-N 486.620 4.414 10 10 JICE C[C@H](Cc1ccc(F)cc1)C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866836406 ZDOMAYPSUAKVMN-MRXNPFEDSA-N 472.516 4.313 10 10 JICE CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839876 OINYSMJLONSCAL-JOCHJYFZSA-N 492.535 4.103 10 10 JICE CCCC[C@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868940132 DAQLLVKZWKHNNF-RLWLMLJZSA-N 481.637 4.221 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(N5CCCCC5)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871306887 CIPSHHDQEHBQTR-UHFFFAOYSA-N 489.580 4.454 10 10 JICE CC(=O)NCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169356 LAEXUFMKBPGEMY-UHFFFAOYSA-N 476.621 4.013 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080022150 GIFJQXUKDMCPEE-INIZCTEOSA-N 469.367 4.452 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296698699 GDDPASFNBPRCSD-IRXDYDNUSA-N 498.674 4.150 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O)C(=O)O 2314934095 XWAZDCXKJPJLPC-QGZVFWFLSA-N 456.545 4.293 10 10 JICE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(Cl)ccc1O 2314934800 KCXHFSXTOMQNJZ-UHFFFAOYSA-N 470.906 4.487 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 20208090 LSSZYXYGYAILMH-RKQIHDTFSA-N 496.401 4.022 10 10 JICE COc1cccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nccn3n2)c1 33266480 YYEHKDIHSRVBEZ-QFIPXVFZSA-N 484.604 4.004 10 10 JICE CCOc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1 65298121 PMYWDMCWKFLZCR-JOCHJYFZSA-N 486.410 4.416 10 10 JICE biogenic O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccccc1I 1084269607 OLPCNIJMKJHCRB-DHDCSXOGSA-N 497.339 4.470 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@@](=O)C(C)(C)C 1705480879 YYLBJTHQXSPSJC-ZUQCGGBESA-N 451.640 4.358 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011654 XDNMKEJKPZNBTD-VWLOTQADSA-N 496.567 4.499 10 10 JICE C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867652282 IFVRHKXQJIVNOE-ZBLYBZFDSA-N 472.633 4.368 10 10 JICE CCOC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871147410 BDNWJJIQADSTFE-UHFFFAOYSA-N 487.560 4.112 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(NCCC5=CCCCC5)ncnc4n3C)CC2)cc1 1875197308 RIWBSKUDBRUOJE-UHFFFAOYSA-N 474.609 4.242 10 10 JICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2040499476 ZGSHKWQLBLCJLV-FUHWJXTLSA-N 494.642 4.148 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080022211 GZWGSPDKBCYVCW-QGZVFWFLSA-N 468.291 4.167 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 2313558111 SXRAFAGUXQZLML-UHFFFAOYSA-N 464.424 4.219 10 10 JICE COc1ccc(N2CCN(C(=O)CCCn3nc(C)c4sc5ccccc5c4c3=O)CC2)cc1 9252033 BOKDTKGYXXBIGL-UHFFFAOYSA-N 476.602 4.057 10 10 JICE COCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33511147 FPXQTNYVRGNRID-RGEXLXHISA-N 486.663 4.231 10 10 JICE COc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c(Br)c1 727229931 IAIVZQNQDSXIFF-UHFFFAOYSA-N 470.367 4.163 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCO[C@@H](C)C1 1705480606 WRCBVXCRALQLNN-GMAHTHKFSA-N 474.653 4.311 10 10 JICE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)CCCN2C 1705711122 BEBBKOMYCJTFKA-SANMLTNESA-N 453.631 4.152 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861923964 UDQADUSMAZBIKR-VWLOTQADSA-N 495.982 4.178 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864013540 YARPDLGFFSBQEJ-JOCHJYFZSA-N 491.592 4.022 10 10 JICE CCCCCOc1cn(Cc2ccncc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870677416 CVEXBQGBBWLLHN-UHFFFAOYSA-N 476.621 4.191 10 10 JICE CCOC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871147239 XTSPOUSWWWGNAN-UHFFFAOYSA-N 478.593 4.098 10 10 JICE COCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162273 NUJQGAOCCUYRFW-UHFFFAOYSA-N 477.992 4.306 10 10 JICE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1cc(Br)cc(Br)c1O 1952458145 VBJJQNHBCDSUIU-CYBMUJFWSA-N 450.171 4.189 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc(O)c(O)c1O 1952863346 UTQNGKKXZPDGAQ-SIKLNZKXSA-N 461.470 4.200 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 2294093702 GZZQXJVGZLOGPK-UHFFFAOYSA-N 466.453 4.264 10 10 JICE CCC[C@H](NC(=O)C=C(C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329490259 HOVIKFDMORKLAQ-SANMLTNESA-N 463.622 4.295 10 10 JICE C/C(NCCSCc1nc[nH]c1C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20288216 CKEJCWDFGCFMSA-OQKWZONESA-N 476.562 4.174 10 10 JICE C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 29954917 XHRHUPQULDFSNX-KRWDZBQOSA-N 483.556 4.021 10 10 JICE COc1ccc(CN2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)cc1 33387863 VUEMQGVJMUMEBM-CHHVJCJISA-N 481.349 4.473 10 10 JICE CCCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 33424332 AXNLYDJONGINGZ-VKXGLNTFSA-N 498.586 4.272 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1 33473056 LZJIZDZPFFUMPT-ZHZULCJRSA-N 494.617 4.471 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)c(Cl)c3)c3ccco3)CC2)cc1 38619295 AJUNVRPJGVJDFN-HSZRJFAPSA-N 490.025 4.092 10 10 JICE CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)c3ccc4oc(C5CC5)nc4c3)CC2)cc1 65005914 MFRKLODWMLYJQX-UHFFFAOYSA-N 460.578 4.330 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 102688328 GLDCVFIIBBZXEC-GMYFBSLISA-N 486.663 4.010 10 10 JICE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 206292382 RDYJEXOTAYPLNP-DEDYPNTBSA-N 457.573 4.347 10 10 JICE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206830594 HFULMJUQSOPTSS-HMMYKYKNSA-N 457.573 4.081 10 10 JICE Nc1ccc(Oc2c(I)cc(Cl)cc2I)nc1 310184916 YFGFNQPLVBKXLQ-UHFFFAOYSA-N 472.451 4.319 10 10 JICE Cc1cc2c(n1-c1cc(I)cc(I)c1)CCC[C@@H]2O 690342015 WSQWQPYZGBVBKR-HNNXBMFYSA-N 479.099 4.365 10 10 JICE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)cc1 1859573263 JFVHZVAKJOEPRQ-UHFFFAOYSA-N 470.576 4.153 10 10 JICE CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862121967 WEDXXTWIPZQNMI-SANMLTNESA-N 471.601 4.071 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCn2ccnc2)cc1OCCCO 1871267535 VENNQKUZGKULRG-UHFFFAOYSA-N 473.577 4.252 10 10 JICE CN1CCCc2cc([C@@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917165807 ZEVZEZFNGPPKIQ-IZZNHLLZSA-N 472.541 4.094 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 2293215399 LKSYYEMDAMMJDW-UHFFFAOYSA-N 487.468 4.027 10 10 JICE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294204791 BOGIPQNHQNZWSZ-UHFFFAOYSA-N 452.333 4.071 10 10 JICE COc1ccc(C(=O)NC(=Cc2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2)cc1OC 2297452752 HCPHYPKMEBJAPO-UHFFFAOYSA-N 459.546 4.488 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 2313560382 RLHRMVBZEZPPNL-UHFFFAOYSA-N 463.534 4.463 10 10 JICE CCOC(=O)c1c(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2)sc(C)c1C 2314490341 XHYGXPFIWUEAMT-UHFFFAOYSA-N 490.628 4.390 10 10 JICE O=C(O)CCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)SC1=S 2314548622 GQRZNGFIQPSPHT-UHFFFAOYSA-N 457.529 4.355 10 10 JICE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14470759 XUTQEYGCSFHVTE-GSHUGGBRSA-N 475.954 4.096 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4OC)cc3)C(=N)N12 20154842 UDGSBROQZDPONF-GETDDEKSSA-N 482.587 4.483 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 20356302 WBJYWJWQCOFMRH-ADKREUBMSA-N 475.574 4.255 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226740186 HWJWYFDNCCGFGB-ZDQHKECQSA-N 462.546 4.356 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526158217 OOWZDISYADEQIV-RUZDIDTESA-N 491.496 4.334 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526450131 ISDGSQBRTKBTRO-XMMPIXPASA-N 463.486 4.489 10 10 JICE Oc1c(Br)cc(Cl)cc1CNCCC1(O)CCN(Cc2ccccc2)CC1 717945890 PZJUDVJDUVVIKV-UHFFFAOYSA-N 453.808 4.315 10 10 JICE CC[C@H](C)[C@@H](NC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1)C(=O)O 1081156780 GIMAHZLTMPHYGX-RGKYICGUSA-N 454.573 4.322 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)cc2)CC1 1616251483 FMGKQAKZHKEUOT-NRFANRHFSA-N 458.606 4.313 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027459 YLXXWEZATIQPGN-QHCPKHFHSA-N 494.567 4.133 10 10 JICE COc1cc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1865911206 VEOHCUJWWAOUTO-VTJDKEBTSA-N 467.610 4.135 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](C)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1868765157 VHWZSCUVXILRCC-IDISGSTGSA-N 489.591 4.219 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873169751 GBKWCOPJPMPRSR-UHFFFAOYSA-N 473.573 4.043 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 2294095510 UOWNIPBTIKTRAT-UHFFFAOYSA-N 456.285 4.459 10 10 JICE COC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2297332886 UJQRVHHLPICCBP-UHFFFAOYSA-N 450.834 4.053 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314827715 KUKDIFPHQLSLGX-UHFFFAOYSA-N 485.543 4.002 10 10 JICE CC[C@](C)(NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330399556 BBJFQEIRWCXXKJ-NDEPHWFRSA-N 463.622 4.466 10 10 JICE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10910388 WHCILUHDXDBPIJ-VWLOTQADSA-N 460.555 4.315 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15039758 SJZNTSPNXMFRQW-UYRXBGFRSA-N 488.587 4.038 10 10 JICE COc1ccc(N2CCN(CCN[C@H](c3ccc(F)cc3)c3nnc(-c4ccccc4)o3)CC2)cc1 20988563 UQWMGOKYMJKSKQ-AREMUKBSSA-N 487.579 4.386 10 10 JICE O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3ccccc3O)CC2)nc1 34681715 ZQUGSNDIYWMMKT-UHFFFAOYSA-N 466.969 4.170 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 35519576 ZRMQENGPWMFYSU-JCMHNJIXSA-N 456.458 4.418 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccccc3Br)C2=O)c1 62049642 JUBJIIDUIAWVHZ-SFQUDFHCSA-N 477.405 4.089 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cccc21 170562511 FMDDFSLKJOWVLH-SFHVURJKSA-N 479.536 4.054 10 10 JICE CC(=O)c1cc(F)cc(CN2CC[C@H](Cc3cccc(I)c3)C2)c1O 1307786868 LHSKEDRVNLVTLZ-OAHLLOKOSA-N 453.295 4.403 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864009072 YTZAIDLIYYAOKU-JOCHJYFZSA-N 494.979 4.389 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2079006441 YYDRQYDOCMHBKO-INIZCTEOSA-N 465.335 4.042 10 10 JICE CC(=O)Nc1cccc2cccc(NC=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c12 2296927098 RFQUCJFINBYRLB-UHFFFAOYSA-N 464.934 4.195 10 10 JICE COc1ccc(Br)cc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 2314769173 OMQMUDNUDAWBSZ-INIZCTEOSA-N 464.362 4.485 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1)C(=O)O 2314929499 NMKNJELNTNEAPU-SFHVURJKSA-N 487.599 4.390 10 10 JICE CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 8663758 JNXQEEZYCQLCAS-NDENLUEZSA-N 475.357 4.238 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccc(F)cc2)cc1 11730781 DGYQMCJPAUVGGT-UHFFFAOYSA-N 473.327 4.251 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40315801 IQCDZZFKHNOOPT-CLJLJLNGSA-N 488.694 4.085 10 10 JICE CCNC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 59060856 AWUAWRXDUOLPPA-UHFFFAOYSA-N 478.617 4.091 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C(=O)OC)[C@H]1c1ccc(O)c(O)c1 526482396 ZHEOEVLCCHDURO-QHCPKHFHSA-N 491.496 4.349 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(Br)cc3Cl)CC2)cc1 743277555 BANDZAXNRXKCES-UHFFFAOYSA-N 467.795 4.055 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(C)(C)c3ccccc32)n1 1869111945 CBKCQGHSFXWEIC-UHFFFAOYSA-N 473.621 4.430 10 10 JICE CCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870340219 XSSITKSYHMCYGZ-UHFFFAOYSA-N 467.997 4.431 10 10 JICE COc1ccc(N2CCN(c3nc(N4CCCCC4)c4cnn(-c5ccc(C)cc5)c4n3)CC2)cc1 1873486350 MCFDTHVOZSWWRM-UHFFFAOYSA-N 483.620 4.449 10 10 JICE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079953293 VATKYTYWJSCYDP-SFHVURJKSA-N 467.351 4.422 10 10 JICE CC(C)(C)OC(=O)N1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCC1 2106803088 MWYYRUSBHDERSQ-UHFFFAOYSA-N 460.619 4.399 10 10 JICE Cc1ccc(Sc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1 2297345723 WCCDUMJFUXHSQH-UHFFFAOYSA-N 488.616 4.387 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCCOC(C)C)cc1 2313682985 PBLSBXMSASFTRP-UHFFFAOYSA-N 452.511 4.033 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OCCC(=O)O 2314934571 IJGRBMDVXRFGBI-UHFFFAOYSA-N 489.571 4.362 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)[C@H]2CC=C[C@H]32)CC1 14473103 KRIWCRHDUFGXDZ-WLENULPWSA-N 452.942 4.462 10 10 JICE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 29930298 VJGHIGZOSPQSDX-UHFFFAOYSA-N 462.569 4.247 10 10 JICE COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 33436499 AAPLGUAZOKDACP-XSFVSMFZSA-N 482.583 4.296 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 33458217 SZJMYQJXEQHLFC-AMRJIULGSA-N 479.583 4.175 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40939081 LYNFFMUKJOBAOC-CAPFRKAQSA-N 490.647 4.013 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(OC)cc23)[C@H]2CCS(=O)(=O)C2)cc1 54362134 HAFNPOAVMMZMAE-QFIPXVFZSA-N 484.618 4.046 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864022136 UKAIKRHMZLGZQO-OPAMFIHVSA-N 476.577 4.085 10 10 JICE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865923341 JRLQGFVWHFBVCX-GBXCKJPGSA-N 499.055 4.111 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCC(C)C)CC2)cc1 1870541659 NPZXTBBVVQMITD-UHFFFAOYSA-N 471.642 4.029 10 10 JICE COc1cc(Cl)cc(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1O 2271978582 VXNFWQGBPJNLCB-UHFFFAOYSA-N 486.009 4.000 10 10 JICE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2294094891 CFQBOPNVOBWKLF-UHFFFAOYSA-N 465.465 4.085 10 10 JICE COc1cc(C(=O)NC(=Cc2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 2297329439 BKZGLGWSLLCQHV-UHFFFAOYSA-N 489.572 4.496 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Cl)c1O 2313549336 TXSNHMVVWGWOIT-UHFFFAOYSA-N 479.714 4.100 10 10 JICE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314764761 LUCZNGWJQWHLFC-UHFFFAOYSA-N 463.378 4.394 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(Nc2ccc([N+](=O)[O-])cc2)C1=O)C(=O)O 2314932732 PDWMCEHVRCWUGS-OAHLLOKOSA-N 459.505 4.065 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1 11730723 HEKFHHBYNGWXES-UHFFFAOYSA-N 455.337 4.112 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 101350519 GBCIPMIVMIAZCM-RCCKNPSSSA-N 458.971 4.233 10 10 JICE CCOc1cccc(C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)c1 1869970943 UJZFCGDDZGMDPW-UHFFFAOYSA-N 478.597 4.019 10 10 JICE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546187 FZXSVVPVOUFGEZ-UHFFFAOYSA-N 464.614 4.049 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873549797 ZIFWOSDCVLDTBL-NHCUHLMSSA-N 490.652 4.295 10 10 JICE C[C@@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O 1877572042 ZQESBBKTTZTHBR-NIYFSFCBSA-N 454.567 4.413 10 10 JICE C[C@H]1C[C@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CN1Cc1ccccc1 2194863475 LLZQNTOIJODVDR-RBTNQOKQSA-N 464.654 4.456 10 10 JICE COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 2293391525 XYTXZBLYSBEIIN-UHFFFAOYSA-N 481.508 4.395 10 10 JICE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1Cl 2293631593 RTTQPVPZDAMDPG-UHFFFAOYSA-N 479.876 4.167 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(OC)c4)cc3)C(=N)N12 2297345080 PDRIJLZPMFVOMX-UHFFFAOYSA-N 482.587 4.483 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 2313630080 GPYOGCABKRHGKC-SFHVURJKSA-N 478.401 4.422 10 10 JICE CCOCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 2314647758 HBZWMDCXRIPZRZ-UHFFFAOYSA-N 457.621 4.008 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](NC(=O)c3ccco3)C(C)C)c2C)cc1C 2645197 SBHPXJRVSLBXSD-XMMPIXPASA-N 450.535 4.484 10 10 JICE COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33316097 SAJJXLHSKRQGTJ-XDHOZWIPSA-N 456.545 4.044 10 10 JICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989709 BBHJSSWSEDIJHD-UWOKGBPVSA-N 482.631 4.279 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526436000 BJWMFFKWRMHVQD-HSZRJFAPSA-N 461.470 4.375 10 10 JICE CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 1084613221 RLHRMVBZEZPPNL-XKZIYDEJSA-N 463.534 4.463 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)c(F)cc3Br)c2)CC1 1522406498 IFVVVVRPTXUJKX-UHFFFAOYSA-N 454.727 4.162 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccc(C)cc3)CC2)cc1 1861939873 BGODEFDMBNPQAT-MUUNZHRXSA-N 485.628 4.013 10 10 JICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864016476 PUWRUPLKJSHVOL-HSZRJFAPSA-N 496.567 4.149 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3ccc(Br)cc23)N2CCCCC2)cc1 1866017909 XPNDWMIYCRFACU-OAQYLSRUSA-N 470.415 4.348 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3cc(Br)ccc3OC(F)F)CC2)cc1 1891952417 MSLIIFHYQWPSOP-UHFFFAOYSA-N 469.326 4.341 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080034498 BPLPQQAOVUBEPW-QGZVFWFLSA-N 496.345 4.430 10 10 JICE CN1CCCc2cc([C@@H](O)[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2121961605 ITJYGYPVFSDUSI-UHSQPCAPSA-N 486.568 4.484 10 10 JICE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294037423 COJOPFLITSESFD-UHFFFAOYSA-N 474.513 4.347 10 10 JICE COC(=O)c1ccc(C)c(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1 2313558851 LGUIEKHFFCCENL-UHFFFAOYSA-N 464.474 4.012 10 10 JICE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OCC 33458374 SDSFXKRZXQANGK-VCHYOVAHSA-N 486.908 4.185 10 10 JICE COc1ccccc1OCCOc1ccccc1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O 33682699 RMKXVXHXGMABNI-AJEBYCSESA-N 464.547 4.428 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1cccc(F)c1 35962111 ZBOZJRZFUFUEOO-DEOSSOPVSA-N 496.970 4.284 10 10 JICE O=C(COc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(Br)cc1F 98028375 OWZWVAUIOLAGKW-CHHVJCJISA-N 467.341 4.095 10 10 JICE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 228959727 SRSFAKRJXVODQU-NBHSTLGCSA-N 470.664 4.342 10 10 JICE CS(=O)(=O)N(CCOc1cccc2ccccc12)c1cccc2c1C(=O)c1ccccc1C2=O 586186466 XSYHIMYNFMTZCF-UHFFFAOYSA-N 471.534 4.460 10 10 JICE O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 606672198 YOMNDWYXOTZKDL-TZWKYVIBSA-N 475.598 4.499 10 10 JICE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 728857304 CELNEMLSTPHJBY-XMMPIXPASA-N 454.590 4.298 10 10 JICE CCOc1cccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860601173 SQXMUEWWDXXWPJ-UHFFFAOYSA-N 482.536 4.352 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864010525 VGFZRGDGOXSYHE-NPCWYJEFSA-N 492.620 4.038 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873165960 YFBUKYSRUPFXAU-UHFFFAOYSA-N 463.965 4.264 10 10 JICE COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C2CC2)cc1 1890883922 WKSBCRIAAZEEOW-XXGRWQQESA-N 491.657 4.148 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2080005206 JIYAVYGHVGZACZ-CQSZACIVSA-N 470.307 4.255 10 10 JICE CCOC(=O)c1sc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c(C(=O)OCC)c1C 2297321380 WQADKWRJKCJLTF-UHFFFAOYSA-N 455.536 4.437 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 2297346695 RUTOYAQXEVAJGL-UHFFFAOYSA-N 471.256 4.359 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)c2C)cc1 2297353196 WAZCWDCGJDSQEZ-UHFFFAOYSA-N 476.606 4.411 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297467883 UCUYXCMTKBUNJF-UHFFFAOYSA-N 459.512 4.030 10 10 JICE O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2297578644 VGTQIRKSJRCVJI-UHFFFAOYSA-N 483.455 4.193 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1 2323675019 XTZJHSWQHMMKIV-UHFFFAOYSA-N 470.616 4.083 10 10 JICE C=CCN1C(=O)/C(=C\c2cccc(OC)c2OS(=O)(=O)c2ccc(C)cc2)SC1=S 2960382 OUFGEFAHDZBRTG-QGOAFFKASA-N 461.586 4.159 10 10 JICE COc1cc(Br)c(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 13590638 AFHAMPWBFOFAIO-WZUFQYTHSA-N 472.122 4.235 10 10 JICE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 17241476 CRYJHZNYIRFCAK-QCDXTXTGSA-N 463.671 4.336 10 10 JICE O=C1/C(=C\c2ccc(O)cc2O)SC(=S)N1c1ccc(I)cc1 33295031 ZZTMAVZEHIVOIL-VGOFMYFVSA-N 455.298 4.108 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 59822534 AVJGFCHQWWGREE-IQGLISFBSA-N 479.602 4.167 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)CC2)cc1 110581362 HCDRBAGZXYKNCR-HRNNMHKYSA-N 461.606 4.207 10 10 JICE C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCCC2=O)cc1 726613766 JYRNJPHEMLDVRE-KRWDZBQOSA-N 472.536 4.444 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCc3cscn3)c2)CC1 1616450653 FZTJSXMNNPRWTD-UHFFFAOYSA-N 452.605 4.356 10 10 JICE O=C(Cc1ccncc1)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858911374 QASLMIBOMMMGAI-UHFFFAOYSA-N 491.503 4.327 10 10 JICE CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1859466418 YEMBZEIXTNGOME-UHFFFAOYSA-N 452.466 4.109 10 10 JICE COc1ccc(OC)c(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860345025 ODKNDLINUPSBET-UHFFFAOYSA-N 480.524 4.230 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 1860758904 MUEJMYZBODDULT-UHFFFAOYSA-N 484.549 4.345 10 10 JICE CC[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156477 BFDNRZWUQJRKOD-PXWJQCMDSA-N 476.404 4.259 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864023427 YVHJLERGOBLRID-DXCKQFNASA-N 494.514 4.113 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871525874 WFCKZFQDWVHZFG-UHFFFAOYSA-N 461.614 4.057 10 10 JICE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875221158 XOHXXSFALZNSDN-UHFFFAOYSA-N 494.640 4.041 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1C 2040466431 AYLSYZOUBCZVJI-UHFFFAOYSA-N 465.556 4.142 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080002610 ACJGNXAFWGKLSD-GOSISDBHSA-N 482.318 4.255 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](CNCc2cccc(Br)c2O)(C(F)(F)F)C1 2167677171 XALVADVBPFVZJK-KRWDZBQOSA-N 453.299 4.434 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 2294093677 CQDNKXWOAPBRGG-UHFFFAOYSA-N 461.430 4.228 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 2297310432 WXJUXXKGONIQGI-UHFFFAOYSA-N 470.938 4.445 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2297468138 SGLYQJFPTLEXLV-UHFFFAOYSA-N 492.580 4.255 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314740332 HWVBLCAZEVPIBN-UHFFFAOYSA-N 474.398 4.011 10 10 JICE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)c1 14472816 RFJHWUUUBYSOLP-GSHUGGBRSA-N 475.954 4.096 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 20154726 YOTXEJRBKSDJFA-GQZSXMDHSA-N 498.586 4.101 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nccnc3Oc3ccc(C)cc3)CC2)cc1 33289097 RDOUDTKNZFABGW-UHFFFAOYSA-N 450.564 4.027 10 10 JICE Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4cccc(Br)c4)C3=O)ccc21 33421958 KXZYGTXDIFADGO-SXGWCWSVSA-N 460.378 4.045 10 10 JICE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 33720856 LNXKWXODUCICNF-FYJGNVAPSA-N 450.535 4.209 10 10 JICE Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)cc1 72092156 XAVNBJAXIKHSDW-UHFFFAOYSA-N 473.573 4.208 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 83296109 ZLCREGOGIPHKBX-BKUYFWCQSA-N 494.931 4.276 10 10 JICE COc1ccc(-c2cc3nc(CN(C)Cc4ccc(N5CCOCC5)cc4)[nH]c(=O)c3s2)cc1 795157187 NCAPADDUHSQPOI-UHFFFAOYSA-N 476.602 4.129 10 10 JICE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)NC)CC1 1705786765 XAIRTEZFNMMVEM-UHFFFAOYSA-N 475.641 4.416 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1 1858588294 XTZJHSWQHMMKIV-RCCKNPSSSA-N 470.616 4.083 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)CC1 1858591711 WOXDSYQHTWOKCX-MDWZMJQESA-N 471.029 4.180 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)c2)c1 1860869434 GDDJDKPKJOEWMN-UHFFFAOYSA-N 460.553 4.102 10 10 JICE CCC[C@H](NC(=O)[C@@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868836094 ZRZGKNLNUUTXPV-ZEQRLZLVSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871490184 ZJUWWMUVKIJXNU-UHFFFAOYSA-N 496.059 4.214 10 10 JICE CCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871552743 PZPDUEWTGMNHHA-UHFFFAOYSA-N 475.641 4.492 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)cc1 1891709653 MMFCSOXJQIGTLR-UHFFFAOYSA-N 459.262 4.319 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079993918 ZFOKWNTZVBEFHP-QGZVFWFLSA-N 470.307 4.413 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2293180143 PMOAWJRBTKDRMH-AWEZNQCLSA-N 464.546 4.262 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(=O)NC2=S)cc1 2294229097 STFBUSVLPOMWNS-UHFFFAOYSA-N 487.581 4.274 10 10 JICE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314769361 PEGXMDZKEJXOQR-LJQANCHMSA-N 473.572 4.218 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OC(C)C 2314769870 WKHQIVTWDCWJSL-UHFFFAOYSA-N 474.398 4.311 10 10 JICE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2318658505 QSXPJZHCQWYNRQ-DEOSSOPVSA-N 472.541 4.300 10 10 JICE CCCC[C@H](NC(=O)C=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330346455 LSHQFVOTFHTWLV-DEOSSOPVSA-N 470.013 4.386 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1I 33410937 PRJHTNAZIHZLKO-JYRVWZFOSA-N 482.661 4.460 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]23)cc1 59443012 BUTSCXPKCKVBGY-JDGBCZCZSA-N 465.505 4.247 10 10 JICE CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cc(Br)ccc1O)N2 65298091 KUPHKSSOJDCANN-NRFANRHFSA-N 456.384 4.325 10 10 JICE biogenic C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1c(S)nnc1-c1cccs1 110173598 ZVPGWEQBYHHUBX-ZDUSSCGKSA-N 497.568 4.028 10 10 JICE CCOc1cc(/C=C2\SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1OCCC(=O)O 210469330 HKLWTNVMYUZDHM-NDENLUEZSA-N 472.519 4.038 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C1=O 210754859 QVNHIVMZLCSNHL-WFTRPWEDSA-N 460.621 4.376 10 10 JICE Cc1cc(CCNC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c(C)n1-c1ccccc1 746424272 IIGUJDMDTXDTNR-UHFFFAOYSA-N 451.013 4.083 10 10 JICE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc21 1462755029 JEIRVRXEIKKOPC-LJQANCHMSA-N 455.624 4.358 10 10 JICE CCc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12 1858226275 BUXWZICQKPHAQC-UHFFFAOYSA-N 483.572 4.120 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)O)cc3)c3ccccc23)SC1=S 1860827073 QPIIIAKDQVBXDA-UDWIEESQSA-N 480.567 4.454 10 10 JICE CC[C@@H](NC(=O)CCCOc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862224320 PPYFCDOJCIFBEW-HHHXNRCGSA-N 489.616 4.251 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1869139444 XRGKCLCEUKYVRD-CPJSRVTESA-N 491.611 4.480 10 10 JICE CCN(CC)C(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871081241 YRYPTYRRTORATR-UHFFFAOYSA-N 478.593 4.098 10 10 JICE CCCCn1c(C(=O)NCCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580110 FRVGGYBAUHUOOV-UHFFFAOYSA-N 478.641 4.343 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2080000085 OXKYKPGVHDANPR-QGZVFWFLSA-N 468.291 4.167 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2296710651 LVHRMRMRQVSFKJ-UHFFFAOYSA-N 465.600 4.270 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)nn(-c2ccc(I)cc2)c1O 2297321132 BOXNNZUTPSPSNV-UHFFFAOYSA-N 484.297 4.297 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1142917 PWGNUGANIAQTCB-VHEBQXMUSA-N 471.991 4.307 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OCCC(=O)O 16919633 IJGRBMDVXRFGBI-UDWIEESQSA-N 489.571 4.362 10 10 JICE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCOCC1 20696475 MHIZRKNXZNZECY-YVHKJVDXSA-N 455.352 4.454 10 10 JICE COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(N2CCOCC2)cc1OC 20968625 WYAKNQNLJFOOEH-CSKARUKUSA-N 479.489 4.361 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(Sc3ccccc3)nc12 33451845 SWBBLQMDUNRETL-GHRIWEEISA-N 497.623 4.220 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 33890117 POFIWARBDHRSEW-NLPPSYTOSA-N 464.547 4.428 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)cc2)o1 40324033 AMQLKVODQVUMSP-UNOMPAQXSA-N 482.562 4.338 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@@H](c1cccc(OCC)c1O)N2 65298376 XJSUCKRUHHJDJI-QFIPXVFZSA-N 467.566 4.272 10 10 JICE biogenic COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 65329806 ULRKNZRFGIAQMF-UHFFFAOYSA-N 490.472 4.157 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)N(C)c2ccccc2C(=O)O)C1=O 210494741 HXPXUDCSHJUPLA-WAZQMIMHSA-N 452.557 4.195 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c(C)n1-c1ccccc1 727033578 VGHRYMTYYFKVJR-UHFFFAOYSA-N 479.487 4.379 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@@H](C)C2 730540158 DUPCNFSWZSPVII-OWSXEPHWSA-N 450.579 4.306 10 10 JICE CC(=O)CCc1ccc2oc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)c(C)c2c1 1460741749 PXYQHEFUWGCKMJ-UHFFFAOYSA-N 456.489 4.308 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)c1O 1654132931 IMZTXNXLFPJFNU-SCWSEQNSSA-N 450.551 4.018 10 10 JICE COc1ccc(CC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860506224 NWGRLDMBNAKWIL-UHFFFAOYSA-N 491.503 4.299 10 10 JICE COC(=O)c1cccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)c1 1860748541 FRAYBUFJYLJNSQ-UHFFFAOYSA-N 480.542 4.491 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C(C)(C)C)ccc3[nH]2)c2nccn2C)cc1 1866517636 BEMYJSNAVXJJAT-XMMPIXPASA-N 457.578 4.145 10 10 JICE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868700436 QESTXUYOTUUTFQ-LOSJGSFVSA-N 469.601 4.208 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297364315 AUMYVXBFQUODFI-UHFFFAOYSA-N 464.836 4.365 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297366486 HAXJYSXJIQRAKJ-UHFFFAOYSA-N 486.480 4.029 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2297471416 BYWCGFMGBPSTTI-UHFFFAOYSA-N 491.548 4.289 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)c(C)c1 2313548335 SNUQJHSZAMCWKV-UHFFFAOYSA-N 462.937 4.485 10 10 JICE COC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2314767940 JDUIQWIDQFUTJR-UHFFFAOYSA-N 472.975 4.021 10 10 JICE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817681 ONBRGUYNBPSCRI-UHFFFAOYSA-N 478.599 4.123 10 10 JICE C=CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(OC)cc3)c(OCC)c2)SC1=S 2938735 QHFUYHIPWZEJJS-XSFVSMFZSA-N 491.612 4.249 10 10 JICE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475828 ZBPLABDQTAQSKZ-IXFSTUDKSA-N 455.536 4.302 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 15035289 VVBBLQXMBLQWIQ-SXGWCWSVSA-N 463.378 4.303 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15047383 BGPIFNDGDSZCCH-DABDWFRDSA-N 472.588 4.331 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 226672250 QPROIBKTPDKKGT-RBODFLQRSA-N 453.608 4.036 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@H]1c1ccc(O)c(O)c1 526524760 AJOXOFOBNZVSGP-HSZRJFAPSA-N 461.470 4.340 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@H]3CN(C(=O)c4ccc(C)cc4)c4ccccc43)CC2)cc1 1858130682 QOGCQLWBTWSYQO-QHCPKHFHSA-N 469.585 4.487 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(COc4ccc(C)cc4)n4ccccc34)CC2)cc1 1858341255 UFYBJIYETYRWCP-UHFFFAOYSA-N 456.546 4.193 10 10 JICE CC[C@@](C)(NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862205506 RBBIFUMZOAPVTR-RBTNQOKQSA-N 481.637 4.220 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029266 JMPOPNPVMAZUBR-DEOSSOPVSA-N 482.540 4.062 10 10 JICE CCN(CC)CCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164003 HNOSRPBXFCHBIN-UHFFFAOYSA-N 499.659 4.481 10 10 JICE CCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421713 NCJHNIGWVCFFOA-UHFFFAOYSA-N 471.557 4.412 10 10 JICE COc1cc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc(OC)c1 1873935627 IBQMIBAKERFQJR-NDEPHWFRSA-N 496.567 4.444 10 10 JICE Cc1ccc([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079138733 LFOUWERZFLAKAA-INIZCTEOSA-N 453.324 4.114 10 10 JICE COc1ccc(C(=O)Oc2cc3c4c(c2)C(=C2SC(=S)NC2=O)C(=O)N4C(C)(C)C=C3C)cc1 2293724480 DYLPUPJLZVCZEH-UHFFFAOYSA-N 492.578 4.316 10 10 JICE O=C(Oc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 2296727437 AKKVZQZFQOPPER-SFHVURJKSA-N 470.528 4.194 10 10 JICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522567 OPCCUMXCPGSOMV-UHFFFAOYSA-N 465.556 4.116 10 10 JICE CCCC[C@H](NC(=O)C=Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328565942 JDHHFWOSNHWFPQ-DEOSSOPVSA-N 470.013 4.386 10 10 JICE CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 10911328 IKEUAMODRFMQMT-MHZLTWQESA-N 474.582 4.292 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1nccs1 15045171 UTINZEOEIPJDOB-QINSGFPZSA-N 462.578 4.452 10 10 JICE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15046533 QTJYNOZGYAXUFV-NUEDXCKTSA-N 468.478 4.345 10 10 JICE COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccc(N(C)C)cc4)CC3)[nH]c2c1 15868700 DXKGUONHZRQFNM-GOSISDBHSA-N 462.594 4.047 10 10 JICE O=C1/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 33469389 YESYMXWSXLIAPB-QGOAFFKASA-N 483.018 4.350 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38598223 MVZOPFTWOZIGKF-QFIPXVFZSA-N 484.940 4.143 10 10 JICE CCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 39983150 ONGMTLOWIAQUII-LDADJPATSA-N 450.589 4.145 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)o1 40324028 IFEYVMYGSQYROC-UYRXBGFRSA-N 464.572 4.199 10 10 JICE CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 102463869 XMHNPNZNFVOPKY-KXYLLZDBSA-N 488.617 4.288 10 10 JICE CCN1CCN(c2ccc(CNC(=O)NCc3ccc(-c4csc(C)n4)cc3)cc2F)CC1 730670862 FBRUAKOJFFDWTO-UHFFFAOYSA-N 467.614 4.399 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccc(F)c4)CC3)ccc21 1860587657 LPNHABFUVZWYIR-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1860825034 JPUPKJHXTNDZPB-DEDYPNTBSA-N 484.599 4.033 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(Cl)c([N+](=O)[O-])c4)ncc3[N+](=O)[O-])CC2)cc1 1871305154 VKJHRZLKQUORHA-UHFFFAOYSA-N 485.888 4.025 10 10 JICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427470 OJAOTJARUOIQOO-UHFFFAOYSA-N 484.600 4.389 10 10 JICE CCOC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873951706 MNWCMDHZAUNXRK-UHFFFAOYSA-N 492.535 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)CN(C)c3nc4c(C(F)(F)F)cccc4s3)CC2)cc1 1891906323 STVJXVYTQYVDTF-UHFFFAOYSA-N 464.513 4.109 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@@H](C)COc1ccccc1 2293328990 ZXBMNCCZVRQNTQ-IBGZPJMESA-N 458.514 4.251 10 10 JICE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 2297341926 ZRPCAEXMAWSOLA-UHFFFAOYSA-N 490.899 4.372 10 10 JICE COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)cc1 2297350044 PLPDSCBFFLLHOO-UHFFFAOYSA-N 450.472 4.114 10 10 JICE COc1ccc(-c2n[nH]c(=NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)s2)cc1 2297453746 WGAVXUGKEAJFKU-UHFFFAOYSA-N 470.352 4.117 10 10 JICE NC(=O)COc1ccccc1C=C1SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 2297561198 QRXDEWRUKAAJNY-UHFFFAOYSA-N 483.796 4.372 10 10 JICE CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(\C)NCCc1ccccn1 8857119 JNZZVSLTDZYWAY-LDADJPATSA-N 478.188 4.435 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCC 9260071 HPYZIPUNYWWIEG-GDNBJRDFSA-N 465.344 4.041 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnn4c(C)c(Cc5cccc(C)c5)c(C)nc34)CC2)cc1 9490879 IOMRZKSKIKJTRW-UHFFFAOYSA-N 469.589 4.216 10 10 JICE Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 9592110 HWTHTACZTHNIEJ-UHFFFAOYSA-N 465.594 4.120 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468545 DJVMZUNNPPWANT-RLSLOFABSA-N 470.591 4.478 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 15039917 FDQTWOZETZHRNM-RGEXLXHISA-N 470.572 4.189 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 15047090 WNYRUHJWRXWJED-CYUIRQCWSA-N 458.536 4.231 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc4cc(Br)ccc4c3)CC2)cc1 23471837 XRSJUKNNDNFLCL-UHFFFAOYSA-N 455.352 4.339 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(O)=NC2=S)cc1 33334272 GDKFVSLAMZTCHS-ZHZULCJRSA-N 461.499 4.246 10 10 JICE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33478715 YMUICFXRIMGSBJ-CVDCTZTESA-N 472.651 4.033 10 10 JICE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 33480613 AWRMADXHFHKPFG-HNAYVOBHSA-N 485.433 4.043 10 10 JICE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 95538823 HQHFTXJZLVRYFO-GZTJUZNOSA-N 458.417 4.448 10 10 JICE Cc1cc(C(=O)CSc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2 749751042 DPMMQAUFLKMNNT-UHFFFAOYSA-N 457.573 4.244 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011489 IHFVJRQPYHTHOD-JOCHJYFZSA-N 496.995 4.161 10 10 JICE CCCC[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865840836 JALLXCIQYUFUBZ-JOCHJYFZSA-N 496.519 4.264 10 10 JICE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857058 PAWJVVZTXZHWRO-IZZNHLLZSA-N 481.637 4.077 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580848 RSLSGXNTOXMOJU-UHFFFAOYSA-N 493.631 4.234 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422307 QDAIJGPNMSPCQD-UHFFFAOYSA-N 470.573 4.039 10 10 JICE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cc(Cl)cc(Br)c1O 2146729889 YCYFTEWCCKWPBV-JKSUJKDBSA-N 463.800 4.312 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 2313549456 WVKXDZYDENYQQZ-UHFFFAOYSA-N 487.896 4.348 10 10 JICE CCCCOC(=O)CN1C(=O)C(=Cc2cc(Br)ccc2OCC)SC1=S 2314741418 ZDXKMXIQEMVKHJ-UHFFFAOYSA-N 458.399 4.392 10 10 JICE CS(=O)(=O)Oc1ccc(Br)cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 3003189 ZSXYTSAPKQICHT-MHWRWJLKSA-N 484.418 4.189 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N5CCCC[C@@H]5C)c4c3C)CC2)cc1 10013277 IAMRHDBWKFBCEM-KRWDZBQOSA-N 465.623 4.350 10 10 JICE Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)c(C)c1 11857582 CGGXLAKCJYPWIH-OAHLLOKOSA-N 457.577 4.280 10 10 JICE CN(C)c1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 35559168 LAMKYFXKUMDWJW-VWLOTQADSA-N 498.048 4.401 10 10 JICE Cc1cc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccccc4)c3O)C2=O)ccc1Br 38177257 DZCSZWVHVRCVIV-BOPFTXTBSA-N 481.306 4.464 10 10 JICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990374 DEZHCZLIZKNQPD-JPVKTXQWSA-N 458.653 4.428 10 10 JICE CC(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586231927 IDJLAAWNEMNKHG-UHFFFAOYSA-N 464.499 4.222 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC1CCN(c3ccc(OC)cc3)CC1)O[C@H](C)C2 730540157 DUPCNFSWZSPVII-OUPRXKBMSA-N 450.579 4.306 10 10 JICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CCOCCO)C1=O 1858589031 DXWKBZJSKLVYJD-RIYZIHGNSA-N 493.960 4.340 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027292 XJNZDPJKBIQANT-QHCPKHFHSA-N 494.567 4.133 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032734 JMPQUNJEDJKXNV-NRFANRHFSA-N 494.979 4.206 10 10 JICE CCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 1869969107 FCHJRNULRWMOPL-UHFFFAOYSA-N 475.380 4.258 10 10 JICE CCOC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871145369 NFCOQAVNLWIZSP-DEOSSOPVSA-N 477.561 4.325 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873170493 BTANNJSPVINXLQ-CLOONOSVSA-N 474.649 4.437 10 10 JICE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425539 DMHKWOBZNMUNMH-UHFFFAOYSA-N 498.627 4.181 10 10 JICE COc1ccc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)sc(=O)c2c1OC 1874180049 XIQGLYZOHILBAD-UHFFFAOYSA-N 471.490 4.306 10 10 JICE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079874795 KMZIMJJDOUTBMZ-CQSZACIVSA-N 492.260 4.316 10 10 JICE COc1ccc(Br)c(CNC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c1O 2227752061 SXPNDSPHANYONS-WDALLZDZSA-N 461.356 4.100 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)cc1 2294244393 CPESSIUMSXSSAL-UHFFFAOYSA-N 460.511 4.181 10 10 JICE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(CCOc2ccccc2)C1=O 2294498859 MUKFKGYEJSBEQW-UHFFFAOYSA-N 461.362 4.052 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2296979368 KUFORZNNCJMZLU-GFCCVEGCSA-N 471.434 4.095 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)C(=O)N=C3S2)CC1 2297352617 GXGPFJIPRZNRKG-UHFFFAOYSA-N 464.507 4.163 10 10 JICE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314413638 CWOXQVNGUXXFJR-UHFFFAOYSA-N 480.590 4.225 10 10 JICE C[C@@H]1CN(C(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 2314490507 YLJYJYIFFSORSC-IAGOWNOFSA-N 474.648 4.235 10 10 JICE CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106727 ZHXFRGOENLTMAI-UHFFFAOYSA-N 483.996 4.251 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15040495 YEYHCNHFHKDNQJ-SSZFMOIBSA-N 499.452 4.192 10 10 JICE CCOc1cc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1OCCC(=O)O 16920068 HKLWTNVMYUZDHM-UDWIEESQSA-N 472.519 4.038 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33723524 HTGWEILODBERPX-FMNVXAMXSA-N 454.577 4.208 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 206457972 KAHWQILDGUBRFQ-XSFVSMFZSA-N 457.573 4.429 10 10 JICE CCN(CC)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)cc1 586199050 IQZGSBYMERVREN-UHFFFAOYSA-N 476.598 4.308 10 10 JICE Brc1cc(CNC[C@H]2CN(Cc3ccccc3)CCO2)ccc1N1CCCCC1 1177153373 MAZUMCYYLMFVIS-QFIPXVFZSA-N 458.444 4.430 10 10 JICE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012856 KXEGXHSCDCRRMU-NRFANRHFSA-N 496.995 4.168 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864016945 AQFFGCMDPFAZAE-GRWTVWFQSA-N 488.588 4.235 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026135 GKOTXQBZOFVFRB-QHCPKHFHSA-N 474.561 4.078 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316407 GNIBQBQUOABQCQ-LBNVMWSVSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCCC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867990573 RJDNWHNJWFYZBS-UHFFFAOYSA-N 459.594 4.478 10 10 JICE NC(=O)c1c(NC(=O)CN2C(=O)C(=Cc3ccccc3Cl)SC2=S)sc2c1CCCC2 2296885899 QSQKTPDXUNXBEY-UHFFFAOYSA-N 492.047 4.219 10 10 JICE Cc1ccc(C)c(OCCn2cccc2C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1 2297499516 JTJGGFDMMZEEAH-UHFFFAOYSA-N 490.633 4.493 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2313560413 SFFMZPJKWNWSMQ-UHFFFAOYSA-N 464.503 4.278 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 33318006 NJFUWCWDLWKEJQ-MOSHPQCFSA-N 460.024 4.330 10 10 JICE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 33781537 ZSRLUUKTFVRXGU-FPXKJXHESA-N 494.617 4.471 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 34847085 GGFFGMARJRHHLK-JEFAYZQISA-N 457.490 4.467 10 10 JICE COc1ccc(N2CCN(c3ncnc(N(Cc4ccccc4)c4ccccn4)c3[N+](=O)[O-])CC2)cc1 40611262 ZNCPIKJXGZYSAS-UHFFFAOYSA-N 497.559 4.453 10 10 JICE O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133696 GKNGFXQKJHUVKZ-UNOMPAQXSA-N 476.583 4.455 10 10 JICE COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 96873446 FNYDBVGGPRJKDL-VWLOTQADSA-N 479.646 4.148 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 102860119 CRCBQJZOOCQDKC-PXLXIMEGSA-N 471.586 4.015 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(CC(=O)O)cc2)C1=O 210494824 VKKRRDNGCNIDLZ-RRRJGDELSA-N 452.557 4.100 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Cl)c1OC 1084186269 IOVYTBLACBGMRT-QPEQYQDCSA-N 493.741 4.403 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)C(F)(F)F)cc1 1858901307 DWYAAPGJCHHSGD-UHFFFAOYSA-N 468.387 4.251 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860721599 XNRSWMYAVUVMAG-UHFFFAOYSA-N 499.748 4.312 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864009286 DJLUDXXYMHLLKH-OWJWWREXSA-N 488.588 4.073 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867963406 WUVDJPSVQSXKQE-UHFFFAOYSA-N 486.664 4.318 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869970906 SIFNJLXUKZWYFC-UHFFFAOYSA-N 492.624 4.166 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCCN(C)C)C2=O)cc1 1873169740 FYSLABSSMXZOMW-NTKDMRAZSA-N 462.638 4.294 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2080001417 INCUACNXRTZCRB-QGZVFWFLSA-N 457.356 4.420 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CNC(=O)OC(C)(C)C 2106844863 WYRNUQUGSUPNLF-IRXDYDNUSA-N 460.619 4.159 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 2293512329 FIGPFRJKDKSIPU-UHFFFAOYSA-N 464.547 4.409 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2296778293 FWIOEGMYKBBJMU-UHFFFAOYSA-N 451.822 4.483 10 10 JICE COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)sc2c1CCCC2 2297458270 DPUDRYQLBGTUEY-UHFFFAOYSA-N 490.006 4.119 10 10 JICE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313681901 PZGYOMCAJFCHEY-UHFFFAOYSA-N 453.470 4.288 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2314413781 HTGWEILODBERPX-AWEZNQCLSA-N 454.577 4.208 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2314414126 QGVAVSYZVLVCSN-MRXNPFEDSA-N 464.616 4.349 10 10 JICE CN1CCN(N2C(=O)C(=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)CC1 2314488841 PLNDGEZOYPQPCE-UHFFFAOYSA-N 453.511 4.329 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 15037536 DGVLMGNGGOHGJU-BOPFTXTBSA-N 478.979 4.293 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15038097 USZAJGIXELINJO-ZHZULCJRSA-N 472.588 4.420 10 10 JICE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1 33323243 LFEQFZALMRORAT-BOPFTXTBSA-N 487.306 4.206 10 10 JICE COC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 59038555 JNNDWPYQHXDYFR-WUKNDPDISA-N 479.366 4.289 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526263727 CIULDXFJVRGGGG-XMMPIXPASA-N 461.470 4.375 10 10 JICE CN(C)CCn1c(=O)oc2ccc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc21 746692803 ARFOYXDKSQPNRO-JOCHJYFZSA-N 498.543 4.316 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008689 PVYUNXNQTWESEV-XMMPIXPASA-N 490.604 4.351 10 10 JICE COc1cc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1OC(C)=O 1865912967 BPWPUSKEWPEVLP-AVRDVDJQSA-N 465.594 4.043 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873169486 CBNRPBGGGSABJS-UHFFFAOYSA-N 487.600 4.269 10 10 JICE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2053466880 VBUPOIGBWXIZNG-LJQANCHMSA-N 499.614 4.067 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080005642 HUUPULNRMMKVLD-QGZVFWFLSA-N 452.336 4.353 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](NCc2cc(Br)cc(F)c2O)(C(F)(F)F)C1 2159809418 PHOZYIHWBOWESI-MRXNPFEDSA-N 457.262 4.325 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2294253410 NYHYHCXVJZBHHX-UHFFFAOYSA-N 479.945 4.277 10 10 JICE Cc1cc(C=C2NC(=S)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2297455691 RXNNYJATMMGWEV-UHFFFAOYSA-N 450.545 4.499 10 10 JICE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)NCc1ccccc1 2314827437 DYAGNMGGQFHLIV-UHFFFAOYSA-N 477.405 4.062 10 10 JICE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccccc1 2314829017 YPIRYZKRJTULRI-UHFFFAOYSA-N 463.378 4.385 10 10 JICE CCc1nc(N2CCN(CC=Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 2330776951 QROKBYPVMHKJPC-UHFFFAOYSA-N 498.675 4.210 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C=C[N+](=O)[O-])cc4)c3)CC2)cc1 2331940067 NVXJUZFZRDGEBV-UHFFFAOYSA-N 473.529 4.484 10 10 JICE CC(C)c1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 10673105 FTDSDCOGERYJMD-UDWIEESQSA-N 454.573 4.170 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCCOc1ccccc1 20205510 RLDICPFDICCQRR-YHBINRDGSA-N 482.587 4.483 10 10 JICE N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 20356324 MHEDZLZRHSHTLY-WQCWKDQBSA-N 470.352 4.382 10 10 JICE CCN(CC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 33935713 AFURGWWEBKSSSW-LVZFUZTISA-N 478.643 4.375 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S 210753439 XFVGXGSEWCTNPZ-OBGWFSINSA-N 466.600 4.349 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226729566 COLROSMAGUYXFG-DXBVXKBHSA-N 480.678 4.295 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526277258 SMLDBBVGTFRMRV-HSZRJFAPSA-N 461.470 4.340 10 10 JICE COc1ccccc1[C@@H]1C2=C(N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n31)c1ccccc1CC2 1084151452 KDIDPEFWYHIQNB-MUUNZHRXSA-N 493.632 4.393 10 10 JICE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(O)c1 1084321588 FQYYZFLVDNREQI-BOPFTXTBSA-N 486.366 4.284 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)NCC(F)(F)F 1705711098 APHVBFAUBVINMR-UHFFFAOYSA-N 474.531 4.434 10 10 JICE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4cc(OC)ccc4OC)sc3C)ccc21 1859573878 FFFAUMAHKSYSAG-UHFFFAOYSA-N 487.603 4.236 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864014540 XTOQUNMMRIZVJZ-NRFANRHFSA-N 496.633 4.018 10 10 JICE COC(=O)c1c(NC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)cc1 1866240893 CVEWVWXCZBNLQB-UHFFFAOYSA-N 477.542 4.227 10 10 JICE CCCC[C@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309818 DMHNBRKEGWCARI-RRPNLBNLSA-N 494.680 4.393 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868748282 JVWDXDSNTDQXIF-RBZNZPAOSA-N 483.612 4.175 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)cc1 2296088709 MORZMSLCFPCUOT-UHFFFAOYSA-N 463.471 4.085 10 10 JICE COc1cccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2296754824 DBJUEYYTZAHFBT-UHFFFAOYSA-N 463.378 4.298 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2ccc3c(c2)OCO3)cc1 2313682859 MFKXOOVGZCCUHB-UHFFFAOYSA-N 486.484 4.147 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489243 NYHOBWNHRGZPRY-AREMUKBSSA-N 495.689 4.248 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 2255890 QTRCLDIGHDTLLP-XDHOZWIPSA-N 458.653 4.049 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15047375 IYEHNNALVUSTTE-QXGSTRBFSA-N 458.561 4.028 10 10 JICE COc1cccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c1OCC(=O)O 20274607 HVQUPOCLUOAHJB-NVNXTCNLSA-N 480.361 4.327 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(-c5ccc(C(C)C)cc5)no4)CC3)CC2)cc1 21650281 IHGLLXALMGOOGQ-UHFFFAOYSA-N 489.620 4.434 10 10 JICE O=C1[C@@H]2[C@@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1 253579559 ZULCMHYQZWBAGM-PWRODBHTSA-N 475.859 4.174 10 10 JICE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(C(F)(F)F)cn1 1860714954 FOCLLXSYMWGOIV-UHFFFAOYSA-N 452.658 4.340 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccccc1 1860759661 CWSFXLNYUXXSDP-UHFFFAOYSA-N 452.532 4.164 10 10 JICE CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862147683 AYJWOXWFRXDEFE-QLHJLYHHSA-N 463.622 4.250 10 10 JICE CCCC[C@@H](NC(=O)COc1ccc(CCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862197084 JHSVWWPUUWFPEL-AREMUKBSSA-N 481.637 4.050 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867385885 COUSLTIRVZLBRN-LEAFIULHSA-N 480.653 4.003 10 10 JICE COc1cc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc(OC)c1 1873935802 KLIZRNGHGIXQRB-UHFFFAOYSA-N 480.524 4.230 10 10 JICE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc(Cl)cc(Br)c1O 2084780993 WWGQBFREQXMIMA-ZIAGYGMSSA-N 451.814 4.249 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2294093683 DFSIJRYZZVEXAA-UHFFFAOYSA-N 454.797 4.104 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2296849495 BNDQRTZFGJVLNL-AWEZNQCLSA-N 467.572 4.495 10 10 JICE CCN(Cc1ccccc1)C(=O)CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296881338 BMITXCBBRXGRAO-UHFFFAOYSA-N 454.573 4.055 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(=O)OC 2297561452 CGGDLWFVORDJFE-UHFFFAOYSA-N 459.545 4.052 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1C 2313570662 CIDGINLYYIIUTQ-UHFFFAOYSA-N 458.474 4.286 10 10 JICE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S)C(=O)O 2314837789 WTMLIMXOWKHPBP-HNNXBMFYSA-N 462.637 4.335 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C\c3ccccc3OC)O4)CC2)cc1 32983711 YSGQLFWWTZQIAK-NLRVBDNBSA-N 485.540 4.038 10 10 JICE N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12 33511286 ZGIQZGWLTSGRDZ-IDSPKZQESA-N 460.446 4.305 10 10 JICE O=C1/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 35084880 MSYTWMXIVWGVEE-QCUKBLKESA-N 483.546 4.006 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)n1-c1ccc(F)cc1 62694785 JHJHKRFGMBKMBX-UHFFFAOYSA-N 496.029 4.137 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 102437540 OABTYMSOEZRSRE-BMRADRMJSA-N 474.677 4.029 10 10 JICE O=C(Nc1ccc(C(=O)NCc2cccnc2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586692955 QPXDWQLIVVCXJY-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)CCc1ccc(OCCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1137437765 CCMWOFUGBCHAEB-JOCHJYFZSA-N 458.986 4.117 10 10 JICE O=C(CCNCc1ccc(Br)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860709439 RSOFXVIGTNRGHJ-UHFFFAOYSA-N 463.331 4.343 10 10 JICE CN(C)c1ccc([C@H](NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c2nccn2C)cc1 1865875035 NBSDHPOWRDLXLV-GPQHKOMYSA-N 479.584 4.163 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873165669 OYDFEXFOEQKFOZ-UHFFFAOYSA-N 488.607 4.097 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873165922 WVIQIBAGJNVWKA-UHFFFAOYSA-N 472.589 4.174 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873165945 XNKVQVNYJVIFME-NTKDMRAZSA-N 462.638 4.294 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCC(C)C)n4Cc3ccccc3)CC2)cc1 1873582197 BUHHCFVDNBFJQB-UHFFFAOYSA-N 498.631 4.201 10 10 JICE CCCCc1ccc2nc(N(C)CC(=O)N3CCN(c4ccc(OC)cc4)CC3)sc2c1 1892000147 UUAFEONGRUFYGD-UHFFFAOYSA-N 452.624 4.433 10 10 JICE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1cc(Br)cc(Br)c1O 1952134038 BZMNECLLHBRCFF-GXFFZTMASA-N 450.171 4.317 10 10 JICE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040499243 VPMVKNZKAQPGJE-INIZCTEOSA-N 494.667 4.210 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1 2296169465 VAHOSWWFWNJHKE-UHFFFAOYSA-N 463.534 4.463 10 10 JICE Cc1c(N2C(=O)C(=Cc3ccc4c(c3)C[C@@H](C)O4)SC2=S)c(=O)n(-c2ccccc2)n1C 2296275658 GKZWIQGHBGBQNX-CQSZACIVSA-N 463.584 4.214 10 10 JICE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccccc12 2296885313 OGBCYLWYHOHVSW-UHFFFAOYSA-N 455.992 4.381 10 10 JICE CCOc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2297346709 VWUQYLZUHHAATF-UHFFFAOYSA-N 480.318 4.305 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2314414598 FMBNNFOKOZOFDX-UHFFFAOYSA-N 456.637 4.466 10 10 JICE C[C@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)C[C@@H](C)O1 2314486720 BRCSDABMFILGHF-CALCHBBNSA-N 452.601 4.184 10 10 JICE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314768705 MCTICXDRJPHCTN-MRXNPFEDSA-N 464.362 4.270 10 10 JICE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2332139795 UCJZEJIVUSOHPJ-UHFFFAOYSA-N 464.566 4.314 10 10 JICE COc1ccc(N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 39845397 ZWGFUEBSXXEJHP-UHFFFAOYSA-N 483.521 4.242 10 10 JICE CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 731356023 OKDOVOHLGXSIHT-PCCBWWKXSA-N 471.617 4.017 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865032444 CKAZRRXFFYYKSW-HSZRJFAPSA-N 490.604 4.498 10 10 JICE CCC[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868954938 XMMQYBBFOAUNNZ-XMMPIXPASA-N 472.029 4.305 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080029696 BYTCNQAPXQKEJI-GOSISDBHSA-N 456.324 4.207 10 10 JICE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080032841 HSWGYLQXQCMDMZ-AWEZNQCLSA-N 493.267 4.317 10 10 JICE O=C(N[C@@H]1C(F)(F)C12CC(NCc1cccc(Br)c1O)C2)OCc1ccccc1 2142147319 VQTHBMSXRIWRAS-VDUSKEEQSA-N 467.310 4.337 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@H](OCCNCc2cc(Cl)cc(Br)c2O)C1 2289920598 KCSUUMRWDVGJRH-HNNXBMFYSA-N 463.800 4.314 10 10 JICE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 2293625446 KPGXCEPXEDQPRA-UHFFFAOYSA-N 489.528 4.306 10 10 JICE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314414282 VCIZKJAKLBTFDO-KRWDZBQOSA-N 484.647 4.128 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934367 HFQSWTAKUUQUNV-SFHVURJKSA-N 487.599 4.477 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc(Br)ccc2O)[C@H]2CC=C[C@H]32)CC1 14461083 LJBBJQZNXOFFKN-WLENULPWSA-N 468.395 4.369 10 10 JICE Cc1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3)C2=O)o1 20073713 MGUYTZCKDQSISB-RIYZIHGNSA-N 456.330 4.463 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3nc4ccccc4s3)C2=O)cc1 40324209 JKIRHMSPLQJIJF-RGEXLXHISA-N 483.640 4.255 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1 40937895 VBKCVZBGBAFWNR-ZHZULCJRSA-N 457.573 4.429 10 10 JICE COc1cc(Br)c(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136142 YIGKRYWPCSCYDE-XFFZJAGNSA-N 465.300 4.277 10 10 JICE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc3oc(=O)ccc3c2)C1=O 103040654 RYQDUJPNAJFAMY-CPNJWEJPSA-N 466.540 4.032 10 10 JICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 205611030 GJLDDDMLMHASHP-GQBVICOWSA-N 495.670 4.162 10 10 JICE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1705708202 ZKFABPAIKFDFHY-REWPJTCUSA-N 453.631 4.282 10 10 JICE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccnc(Cl)c1 1860571398 KKCWVSCGPCABAC-UHFFFAOYSA-N 482.883 4.410 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(Cl)cc1 1860757944 CRFDCYNXFSAKKQ-APPDUMDISA-N 480.970 4.108 10 10 JICE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868386837 JAFBCRPIBYBZPE-UHFFFAOYSA-N 495.583 4.007 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@H](Oc5ccccc5)C4)nc(C)n3)CC2)cc1 1869303955 IOEUSNAOCINSTN-VWLOTQADSA-N 459.594 4.168 10 10 JICE CN(C(=O)OC(C)(C)C)C1([C@H](CN)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CC1 2194850380 XEHBXOZCLDTJSX-NRFANRHFSA-N 474.646 4.191 10 10 JICE COc1cc(C=C2C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc(OC)c1OC 2293403518 KOUZGEAZFLHCIS-UHFFFAOYSA-N 468.560 4.222 10 10 JICE COc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)c1OC 2296033225 PTVULXGJCISXAI-UHFFFAOYSA-N 479.377 4.013 10 10 JICE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccco4)cc3)C(=N)N12 2297333758 OCVQJVRXKHEICF-UHFFFAOYSA-N 454.533 4.465 10 10 JICE CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2297471319 WYNWGCBCYLFMKK-UHFFFAOYSA-N 482.953 4.039 10 10 JICE O=C1C(=Cc2ccc(Br)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 2297559096 MOZZSWSDLYSAEX-UHFFFAOYSA-N 467.410 4.491 10 10 JICE C[C@@H]1CN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 2314489605 SEHWRASYNAIICD-QZTJIDSGSA-N 466.628 4.180 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc(Cl)c4C)c3[N+](=O)[O-])CC2)cc1 40588408 SCIXMUSWMIFFBQ-UHFFFAOYSA-N 454.918 4.425 10 10 JICE Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)c1 62694753 SIMCNEFZYKYCIH-UHFFFAOYSA-N 497.636 4.348 10 10 JICE CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC 1084034413 UIQPIYAEDGJVBN-DHDCSXOGSA-N 477.286 4.052 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1C 1084207828 YENMWGIYZCFDIK-UCQKPKSFSA-N 471.469 4.457 10 10 JICE CCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860345087 SJLNQRAAUWIUFK-UHFFFAOYSA-N 470.558 4.017 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012841 KMTIHXJSOZXRHL-QHCPKHFHSA-N 490.604 4.133 10 10 JICE CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866236973 RPDJHYQKFDMOGT-UHFFFAOYSA-N 483.933 4.183 10 10 JICE CCCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871721283 HXLBTCJXWYKRLI-UHFFFAOYSA-N 491.640 4.372 10 10 JICE CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)n1 1892128536 KIQGVSOAPHCUTA-UHFFFAOYSA-N 469.596 4.180 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2c(O)cccc2Br)C1 2025244159 IKKGDKKUKGOTNV-IBGZPJMESA-N 490.442 4.366 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079844446 MNUKEVHIGHRJTB-MRXNPFEDSA-N 458.340 4.237 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080042498 HWLIALHRMAUCOA-INIZCTEOSA-N 482.318 4.039 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080042646 JKTOEUGGMYINFB-QGZVFWFLSA-N 496.345 4.430 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2297554668 QEFMHACWSYFETO-UHFFFAOYSA-N 463.924 4.184 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C=C3SC(=S)N(n4c(C)ccc4C)C3=O)o2)c1 2297561286 WCNCRSDYOFSSTK-UHFFFAOYSA-N 496.566 4.476 10 10 JICE O=C(O)CCNC(=O)CCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314828971 XMBOXZIDFFRQSE-UHFFFAOYSA-N 464.568 4.175 10 10 JICE COc1cc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)Nc2ccccc2)cc(OC)c1OC 2269170 CKDVQBUEHKSXHC-JCMHNJIXSA-N 475.545 4.188 10 10 JICE CCN1/C(=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)Sc2cc(OC)ccc21 15828400 ITNCNJZEKNQJLW-UHFFFAOYSA-O 463.626 4.406 10 10 JICE CCCN1C(=O)/C(=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 33334602 QNLLNRAYAZOBMQ-XUTLUUPISA-N 490.610 4.017 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(C)n1-c1ccccc1 62694340 AEIXAMCPHUTCPP-UHFFFAOYSA-N 491.657 4.162 10 10 JICE CC(/C=C\c1ccccc1)=C1/SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O 96297903 QWXPYFKYGNJUTD-AGXFRHCHSA-N 466.628 4.245 10 10 JICE CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 96840804 AKJSCTYQOURRTG-DHDCSXOGSA-N 476.308 4.033 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC(C)C)[C@@H]3C2)cc1 104920337 CVRMOWDAQZVOLM-GGAORHGYSA-N 461.528 4.354 10 10 JICE CC(=O)N[C@H](Nc1ccccc1N[C@H](NC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1088697625 ZKBHJYKMJVLCNA-TXEJJXNPSA-N 485.026 4.175 10 10 JICE Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860556866 ASKWNVFDTLQNJN-UHFFFAOYSA-N 491.503 4.435 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c(Br)n[nH]c23)N2CCCCC2)cc1 1866211546 LSNHCLZPOQJXCL-HXUWFJFHSA-N 470.415 4.348 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4oc(-c5ccc(C)cc5)nc4c3)CC2)cc1 1868790202 UFDCOTMMETYONQ-HXUWFJFHSA-N 498.583 4.279 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869081288 HCHWBEMTLPODOX-VXKWHMMOSA-N 473.621 4.016 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873164036 JDUQOXIOOTWKLT-UHFFFAOYSA-N 457.574 4.389 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1Cl 2293163806 DZDKVMPYFSXVPX-UHFFFAOYSA-N 479.920 4.204 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296540746 NDHGMDHSANDEMQ-IXDOHACOSA-N 470.664 4.485 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 2296705960 CTJXKXRAQVPGNN-UHFFFAOYSA-N 452.557 4.334 10 10 JICE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)CC1 2297317671 SBCGJTXEVVVOTC-UHFFFAOYSA-N 497.580 4.453 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O 2323844203 IWLVYSCGOPIRFA-UHFFFAOYSA-N 480.361 4.263 10 10 JICE Cc1ccc(CNC(=O)Cc2csc(NC(=O)OC(C)(C)C)n2)c(O)c1Br 2380756826 NYZJTTBMSLDOJM-UHFFFAOYSA-N 456.362 4.126 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)c(Cl)c4)n3)cc21 11857785 ZLGBMJWNIWMDJL-UHFFFAOYSA-N 479.967 4.018 10 10 JICE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccccc2O)c1 21659029 YCZGALXPRZGCQM-QHCPKHFHSA-N 464.525 4.224 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310979 VKYRAGSVPDCQLR-XMMPIXPASA-N 486.678 4.425 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)o1 59861968 SQXHGCNPSHSIJK-XMHGGMMESA-N 461.430 4.408 10 10 JICE C=CCN(CC=C)CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 108631024 RZZSCWHVNSVTRD-QURGRASLSA-N 477.611 4.449 10 10 JICE CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)cc2)CC1 1644038643 WWFBWVRSSLTIOE-UHFFFAOYSA-N 458.562 4.136 10 10 JICE CCOC(=O)CCOc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870873385 BXIXJEGDERUDCX-UHFFFAOYSA-N 465.550 4.182 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 2053511978 QVPKEZUIXWDLBG-UHFFFAOYSA-N 464.908 4.113 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079860660 HQBHXFLMRDAZKI-CQSZACIVSA-N 482.240 4.103 10 10 JICE COC[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCCN(C(=O)OC(C)(C)C)C1 2157560675 RVYDLNWIFAPUSP-LJQANCHMSA-N 463.800 4.314 10 10 JICE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194840859 BJZYZIJXMFWALZ-SIKLNZKXSA-N 476.662 4.342 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1ccc(I)cc1 2194916601 OYZHJNPBANFMJN-IBGZPJMESA-N 481.378 4.452 10 10 JICE COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1OC 2296033272 ZRBQGSZQSFKESV-UHFFFAOYSA-N 479.377 4.013 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 2297330297 CLHHPVRDTYDKJM-UHFFFAOYSA-N 455.923 4.362 10 10 JICE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 2297352796 XLMAIMRTNOLKCN-UHFFFAOYSA-N 462.579 4.084 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932263 LKIVHVIAKRJMHZ-ZDUSSCGKSA-N 459.545 4.352 10 10 JICE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)COc3ccccc3)CC2)cc1 9228461 YEOJAELOCRSOQE-UHFFFAOYSA-N 485.540 4.421 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(O)=NC2=S)c(OC)c1 18205410 BWRQEDOLPPUKBO-ODLFYWEKSA-N 462.531 4.178 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1ccc(O)cc1O)N2 20898562 OYADFNPWOUYHRP-XMMPIXPASA-N 494.551 4.238 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 33728354 ZFOFNOVYZRAQLN-NBVRZTHBSA-N 474.652 4.231 10 10 JICE CCCN(Cc1ccccc1O)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1 34836451 FXSRREHOQHLQLS-UHFFFAOYSA-N 451.590 4.189 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152345 BMDJDPDQWKKNHU-CYUIRQCWSA-N 457.533 4.222 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 59858385 GVKFTBXNRFCEAU-STZFKDTASA-N 496.483 4.129 10 10 JICE Cc1cc(O)ccc1NC(=O)CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 210496826 VOPKNPVTMKQKIV-CXUHLZMHSA-N 450.488 4.142 10 10 JICE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586231236 DASBHAIJXBLIKU-UHFFFAOYSA-N 464.499 4.366 10 10 JICE Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)O)cc2)cc1N=Nc1ccc(S(=O)(=O)O)cc1 606508415 GWLYOHIRRYBWCA-UHFFFAOYSA-N 476.496 4.175 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)c(C)c4)n4ccccc34)CC2)cc1 1858224584 BAOARRRQBYPDGV-UHFFFAOYSA-N 483.572 4.174 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)cc1 1859571447 HNUARAYMHQJHMY-UHFFFAOYSA-N 457.577 4.182 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCSc1ccccc1 1860343724 PEWOFBGBYRVHAS-UHFFFAOYSA-N 480.593 4.483 10 10 JICE CCc1ccc(NC(C)=O)cc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860714960 FYTRMBYARSIFAM-UHFFFAOYSA-N 468.779 4.447 10 10 JICE CCCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862264643 SRDXGNPPXPUSRZ-SANMLTNESA-N 474.605 4.123 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864013870 HWAKTTGNAYMUHT-NRFANRHFSA-N 468.598 4.190 10 10 JICE CC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866824623 DBYKKARLWVWQAF-HXUWFJFHSA-N 479.492 4.264 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4cccc(C(F)(F)F)c4)ncc3[N+](=O)[O-])CC2)cc1 1871302680 VWBPMGWTDJYIAF-UHFFFAOYSA-N 474.443 4.482 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCOC(C)C)C2=O)cc1 1873165496 LKZKCDKFQRZVSJ-UHFFFAOYSA-N 467.610 4.004 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CC2)cc1 1874721554 ZPQFNCLRTKQBRB-UHFFFAOYSA-N 461.537 4.482 10 10 JICE COc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc(O)c1O 1951592710 PUVVNAORXYMCEN-MRXNPFEDSA-N 463.486 4.203 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296560797 GKSUNQVMQWMHBH-UHFFFAOYSA-N 499.523 4.207 10 10 JICE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(CCOC)C2=O)CC1 2314648123 PKYMUYJSXZVPPL-UHFFFAOYSA-N 499.658 4.170 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)cc1 2330471372 YCPMDHIIIXNPDZ-VWLOTQADSA-N 493.673 4.256 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1 2331398686 BGUURGBCDBHRSC-UHFFFAOYSA-N 487.391 4.109 10 10 JICE O=C1/C(=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)SC(=S)N1CCN1CCOCC1 9634842 WDDKVSVHEXNCQM-ZHZULCJRSA-N 489.550 4.060 10 10 JICE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 12412750 RLNSMEANMSZBHF-UYRXBGFRSA-N 468.512 4.020 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 25844135 BQUXXQXLZJTAQY-FDFHNCONSA-N 489.886 4.483 10 10 JICE CCN(CC)c1ccc(-c2cc(C(N)=O)c(C)n2Cc2cc(OC)c(OC)c(OC)c2)cc1 96642888 PCFZMVRUBFYDOM-UHFFFAOYSA-N 451.567 4.483 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104906265 GOJDSTQWDOJIIA-QSGOVXSMSA-N 463.489 4.031 10 10 JICE CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 205730204 GEEPXAFOTHCDLC-ZEHCUALSSA-N 483.619 4.229 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 526601794 FRPRRRXPQLYWMR-QFIPXVFZSA-N 492.553 4.445 10 10 JICE Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c(C)n1-c1ccccn1 726171011 VWFGUWAKXBBSRR-UHFFFAOYSA-N 476.581 4.194 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(c2ccc(F)cc2)CC1 914046340 DRMCOEJSZISCAW-CYVLTUHYSA-N 475.636 4.217 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(F)cc2)sc(C)c1-c1ccc(F)cc1 1860758757 LWIKJAJUYDCJAT-UHFFFAOYSA-N 458.486 4.433 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)N2CCCCC2)cc1 1865977544 DRAUMAAZDNSRHZ-GMAHTHKFSA-N 458.647 4.043 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccccc4)cn3CC(C)C)CC2)cc1 1870598318 ALZOYHWOKFLAMX-UHFFFAOYSA-N 491.632 4.293 10 10 JICE CCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870612761 IALHUOBXNMDZFR-UHFFFAOYSA-N 465.569 4.307 10 10 JICE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881516124 OAMGYLNTIPQNET-ZBLYBZFDSA-N 452.643 4.387 10 10 JICE Cn1c(=O)oc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc21 1891643926 XZFNZNKLOCPLDO-UHFFFAOYSA-N 456.332 4.363 10 10 JICE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(N2CCOCC2)cc1 1951788120 ZKEQDVFAZIKTEB-NDEPHWFRSA-N 472.541 4.362 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079860659 HQBHXFLMRDAZKI-AWEZNQCLSA-N 482.240 4.103 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080005789 INBJALDWJCHFBB-QGZVFWFLSA-N 470.307 4.111 10 10 JICE Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2297350186 XSXDIHVUFXFQLV-UHFFFAOYSA-N 457.442 4.149 10 10 JICE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 2297468900 KMWBYPYXBQEXQC-UHFFFAOYSA-N 488.617 4.424 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1C 2313548311 RWXPFZUTPLTIHD-UHFFFAOYSA-N 457.534 4.302 10 10 JICE CCN(CC)c1ccc(C=C2SC(=N)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2314482837 XIWCKDVQLLOOLB-UHFFFAOYSA-N 461.591 4.386 10 10 JICE COC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2314761469 UFQFKOMBUAEDEU-UHFFFAOYSA-N 487.002 4.411 10 10 JICE CCOC(=O)c1ccc(N2N=C(c3ccccc3)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 13914039 QMJYXGWFEWCSHX-STZFKDTASA-N 487.468 4.320 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 20687115 QPROIBKTPDKKGT-XSARVHFWSA-N 453.608 4.036 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33516602 OJZDXVQBUSNPEI-XMHGGMMESA-N 464.616 4.269 10 10 JICE Cc1cccc(C(=O)Oc2cccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2)c1 102468829 MIMDNVWNRBUICN-RBRHTRMMSA-N 456.483 4.475 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 210222492 DFHPKCWWROLCFT-WQRHYEAKSA-N 451.485 4.360 10 10 JICE O=C(O)CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccco3)cc2)SC1=S 210602471 GQRZNGFIQPSPHT-AMFDFQGASA-N 457.529 4.355 10 10 JICE CC(=O)Nc1cc(N(C)C)ccc1N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)C(F)(F)F 254566514 JBKPRMFPKRTPBF-UHFFFAOYSA-N 459.406 4.328 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1866205073 SNLLYXUYSPOZFG-VQTJNVASSA-N 478.570 4.033 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCC(C)CC3)ncnc21 1873548240 OWMQEFLSKUFGFN-UHFFFAOYSA-N 476.625 4.049 10 10 JICE CN1CCCc2cc([C@@H](CN)N(CCCNC(=O)OC(C)(C)C)Cc3ccccc3)ccc21 1881188194 RQUSRJOJHHRPOF-RUZDIDTESA-N 452.643 4.486 10 10 JICE COc1ccc(C=C2C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(OC)c1OC 2293488687 QBLTUBKNNFVNNZ-UHFFFAOYSA-N 468.560 4.222 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297578649 WNIHWBQRMRHTCT-UHFFFAOYSA-N 489.509 4.014 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313560206 MQMRJPXSNOHXFF-UHFFFAOYSA-N 476.371 4.266 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33468502 ZNMRWMZIRFLJIW-SDXDJHTJSA-N 456.637 4.385 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 35385495 MLJXMLFZWXYHAN-HYARGMPZSA-N 495.491 4.307 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 97453551 CQEFQBKIYIKRLO-XMHGGMMESA-N 464.616 4.269 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(S(C)(=O)=O)cc3)c2C)cc1 749750938 ABJXTIFPLFJSGA-UHFFFAOYSA-N 457.573 4.259 10 10 JICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 1084647524 JZSHKOUBOMYAIF-AQTBWJFISA-N 462.502 4.245 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864022116 TXDUQPSDKDKCKC-NRFANRHFSA-N 496.995 4.177 10 10 JICE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865030457 KBUMZFORBDDDLW-YCAUGHHRSA-N 494.636 4.389 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869970959 VFFRRTWZYSIMGM-UHFFFAOYSA-N 468.989 4.274 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492998 QCWRJSOXYKHHCU-UHFFFAOYSA-N 496.059 4.358 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162399 TVKIVEHVVBNXIU-VWLOTQADSA-N 469.585 4.185 10 10 JICE CCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421479 AHRYKYXNCVXRJT-UHFFFAOYSA-N 457.530 4.483 10 10 JICE CCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422855 SKAPBHVGJQUQSU-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCC(C)C)C1=O 2040498223 FSTIPLHBOYQNSE-UHFFFAOYSA-N 474.652 4.089 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2297307362 YWVQTKOKFYZDBI-UHFFFAOYSA-N 498.586 4.128 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 2313556285 UPJOBOCEKSBNKQ-UHFFFAOYSA-N 486.549 4.358 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2314507532 KQCVRMPIXJNMOF-UHFFFAOYSA-N 485.562 4.172 10 10 JICE Oc1cccc(CN2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1O 23326129 XNUWPGOUCKWTNQ-SANMLTNESA-N 454.517 4.300 10 10 JICE COc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3I)CC2)cc1 108430471 VKYMPSCRFAZJOL-UHFFFAOYSA-N 470.738 4.306 10 10 JICE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731402346 XNRMBYMUVJMBEW-HSZRJFAPSA-N 471.623 4.294 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705897825 UVHFCBXCHQZPCJ-RPWUZVMVSA-N 490.652 4.295 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1858607221 HSEGYEPANAWTTG-UHFFFAOYSA-N 475.309 4.279 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864013337 WFJXMZFLSACLAP-OAQYLSRUSA-N 496.995 4.169 10 10 JICE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679830 JABHFHHADRKJOR-FYJGNVAPSA-N 460.486 4.261 10 10 JICE Cc1ccc(S(=O)(=O)n2cccc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1865961018 NNLWQOVBEZSOCE-UHFFFAOYSA-N 470.506 4.061 10 10 JICE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826459 YICFKXCFMSODSJ-IZZNHLLZSA-N 496.721 4.256 10 10 JICE CC(C)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870859283 WEMBTAFNQPWYHS-UHFFFAOYSA-N 451.567 4.248 10 10 JICE CCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871522025 FBVANJIAQYUQED-UHFFFAOYSA-N 468.005 4.238 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(N[C@@H](C)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873168077 IILWYONQWOZHLV-SFHVURJKSA-N 492.620 4.183 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873169639 DPNUZNHXPZYNMP-UHFFFAOYSA-N 487.600 4.399 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1cc2cc(F)ccc2[nH]1 2296885557 ZWXHLRFHQFACSO-UHFFFAOYSA-N 471.554 4.396 10 10 JICE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@H]2c1ccccc1O 21659061 DEACEGZIJJWMJV-QHCPKHFHSA-N 464.525 4.224 10 10 JICE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)o1 33419706 BCJHKKFVOYJZRM-RBRHTRMMSA-N 456.483 4.401 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 101993350 IDTLYALKOGQRGH-FSSWDIPSSA-N 489.886 4.483 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cccc(OC(F)(F)F)c1 205949277 BXYVZJZLFVCYLJ-XDHOZWIPSA-N 478.383 4.145 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208273214 QCDXYYFYIDAKBE-FYJGNVAPSA-N 496.658 4.114 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1cc(O)nc2ccccc12 229735496 PGRCFHFTYDOIEN-CXUHLZMHSA-N 486.372 4.249 10 10 JICE Cc1ccccc1C(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)CC1 1860844999 GADSVKWHDQUHIE-UHFFFAOYSA-N 456.590 4.271 10 10 JICE CCCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1873545830 RFIZPJPEXTYAGO-UHFFFAOYSA-N 478.641 4.439 10 10 JICE CCC[C@@H](C(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccccc1 2040490625 OTQLDBZDYUATHF-GOSISDBHSA-N 468.600 4.317 10 10 JICE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 2053513761 VMOKQYDFUYHEPJ-AWEZNQCLSA-N 462.505 4.318 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 2297057204 RTYSHOIAPNKYLB-UHFFFAOYSA-N 474.488 4.118 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)c4ccccc4F)c3)C2=O)cc1 2297364199 JFYMYUUILHVFAG-UHFFFAOYSA-N 458.445 4.274 10 10 JICE CCSC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4F)cc3)C(=O)N=C2S1 2297499548 LJZUBLQZCGULLI-UHFFFAOYSA-N 454.508 4.375 10 10 JICE COc1cccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1OC(C)C 2297556237 VGOOBTRGZXHIOR-UHFFFAOYSA-N 475.364 4.076 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C 2314509502 UUPUZMJEOQQNPA-KRWDZBQOSA-N 493.610 4.484 10 10 JICE CC(C)COC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945396 JTXQJWSJVLOAEX-OAHLLOKOSA-N 474.604 4.468 10 10 JICE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 2332139340 VVTFYWGKCDUVFU-UHFFFAOYSA-N 493.604 4.381 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)c(OC)cc4C)n3)cc21 11857731 UEYFBRZFSYOOLN-UHFFFAOYSA-N 487.603 4.372 10 10 JICE Oc1cc(O)cc(C[C@H]2c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 12153203 SJCXTMZZGQRDQF-KNQAVFIVSA-N 488.492 4.394 10 10 JICE biogenic CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=N)N12 20114704 WEIVBCRTNARSSV-JXPCMBGASA-N 472.573 4.306 10 10 JICE CCCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 34982549 KEVYJIOCEWCEQO-QGOAFFKASA-N 450.607 4.376 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40938214 OVFCFMDVJOIIJW-MRCUWXFGSA-N 466.584 4.148 10 10 JICE O=C1N=C(O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1cccc2ccccc12 59859792 YORIFEXVRNKUOF-XMHGGMMESA-N 472.457 4.091 10 10 JICE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(Cl)cc12 103525249 MKHCSRVYTWBCHN-HZHRSRAPSA-N 450.926 4.193 10 10 JICE Cc1nc2cc(N3C[C@@H](C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3=O)ccc2s1 170564228 ZLROVZBMHDZMKY-HNNXBMFYSA-N 481.533 4.372 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)c2C)C1=O 1476720207 IJOKDCGQMTVLPV-UHFFFAOYSA-N 451.310 4.118 10 10 JICE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(N(C)C(C)=O)CC1 1705826864 LSSCMGOSKBJUDU-UHFFFAOYSA-N 490.652 4.392 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(C)c1-c1ccccc1 1860747309 DFQBDUSVPPOHGA-UHFFFAOYSA-N 493.585 4.314 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CSc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869969985 BWORKPRUVHNIRF-UHFFFAOYSA-N 480.638 4.099 10 10 JICE CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870407232 SEGGXBPTPFOEDX-UHFFFAOYSA-N 467.997 4.431 10 10 JICE CC[C@@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179551 JLSWOPYHWIDXRG-GYCJOSAFSA-N 452.510 4.471 10 10 JICE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163149530 KRPHXNFDBXOHKQ-LBNVMWSVSA-N 464.654 4.499 10 10 JICE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(CCOC)C2=O)CC1 2314647796 IPENSKDIKOXKGC-UHFFFAOYSA-N 499.658 4.170 10 10 JICE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314836457 FMSNWWQZVYXICQ-OAHLLOKOSA-N 470.572 4.050 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 666899 PEUYAYRUHCXDPX-GZTJUZNOSA-N 469.316 4.191 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Br)c1 33326919 WSQCNGRKYBMSJA-RQZCQDPDSA-N 491.388 4.408 10 10 JICE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33525513 ZPBRLKRYQXPPHA-OBGWFSINSA-N 454.621 4.219 10 10 JICE O=C1N=C(O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1cc(C(F)(F)F)ccc1Cl 34234488 NXHDHWGJMNFXSE-BJMVGYQFSA-N 455.732 4.479 10 10 JICE Cc1ccc(-n2nc(C)c(N/C=C3/C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c2C)cc1C 59858411 URNSNWKSTVFYEU-BKUYFWCQSA-N 457.534 4.302 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 102464045 QUUYFIYJAARTIU-DIZYVDBLSA-N 479.949 4.232 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104352396 GOJDSTQWDOJIIA-OFIMRHAYSA-N 463.489 4.031 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(C)c1 207314649 ZCWXHAYPVSNENY-WOJGMQOQSA-N 480.571 4.202 10 10 JICE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210725395 JHPKZAWAQUPNRI-XDJHFCHBSA-N 470.572 4.051 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc1OC 210732690 JTZLNYNTMMCNSD-XSFVSMFZSA-N 456.589 4.002 10 10 JICE COc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CC2)cc1 726727653 RXZUTVVVGOIGRS-UHFFFAOYSA-N 485.890 4.013 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084303223 XFELXTPMMIOCFV-PDGQHHTCSA-N 458.517 4.434 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(F)cc1 1860652040 SMHMFQLTJNGDBT-PKOBYXMFSA-N 488.581 4.395 10 10 JICE CCCCN(C)C(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951983 QDXTZMVVGKBQAX-UHFFFAOYSA-N 492.620 4.224 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871548544 KIQNCJIWROJECG-UHFFFAOYSA-N 495.631 4.023 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 2294400565 BRPPOZVIVFYVTO-UHFFFAOYSA-N 481.302 4.347 10 10 JICE COC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 2314769884 WMJVDJRTTOOPAN-UHFFFAOYSA-N 474.398 4.009 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 2314831999 XLOIRKGRDBAGQG-UHFFFAOYSA-N 493.404 4.480 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934562 IHIUPGXCZFPLBR-HNNXBMFYSA-N 487.599 4.390 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 13644916 QPROIBKTPDKKGT-ZNNUDVHBSA-N 453.608 4.036 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356512 ASVZIBGEUNDTSN-PSNYXWAUSA-N 477.521 4.107 10 10 JICE CCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592443 WRSGTDYQTUMXSE-BUVRLJJBSA-N 493.629 4.225 10 10 JICE COc1ccc(N2CCN(c3nnc(C(=O)Nc4cc(OC)cc(OC)c4)c4ccccc34)CC2)cc1 34838547 BHARCMUCRMHEPJ-UHFFFAOYSA-N 499.571 4.235 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)NCc3ccc(Cl)cc3)c3ccco3)CC2)cc1 38620056 YZWFCYRJCSGAKV-HSZRJFAPSA-N 468.985 4.304 10 10 JICE Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 59336675 HPZAZQUFOIPSMZ-UCQKPKSFSA-N 496.498 4.394 10 10 JICE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)/C(=C\c2ccccc2O)SC1=S 205712562 WXOCMGXXTYBRSR-VIZOYTHASA-N 455.344 4.010 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526507050 OSXDHUPADVHLFU-DEOSSOPVSA-N 462.502 4.238 10 10 JICE CC(C)(C)OC(=O)NC[C@H](NCc1cc(Br)ccc1O)C(F)(F)C(F)(F)F 722713989 UYVKGVYATIFABN-LBPRGKRZSA-N 463.241 4.335 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)cc1 746218652 HJPRLLYEHIUBSK-SFHVURJKSA-N 464.532 4.239 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(I)c1 1083900335 TYQGWKPTBQKHBE-ATVHPVEESA-N 468.250 4.111 10 10 JICE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705692681 PQMCLORGYSITON-FPOVZHCZSA-N 490.446 4.147 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(CCCc4ccccc4)n4ccccc34)CC2)cc1 1858350366 FRYVFJWEFUGKSL-UHFFFAOYSA-N 454.574 4.481 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011974 OFLRCYNGZSSTNH-JOCHJYFZSA-N 496.995 4.161 10 10 JICE CCCCc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)CC2=O)cc1 1865921503 KMPWMSYCGUBCAQ-BKMJKUGQSA-N 473.621 4.087 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873167541 LTQGTZUEJKRHBF-UHFFFAOYSA-N 499.659 4.481 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H](CN)C(C)(C)NC(=O)OC(C)(C)C 1881311523 YEWGSALNEWTCFE-FQEVSTJZSA-N 462.635 4.095 10 10 JICE O=C1C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2296705079 NSHXKNKAVFRJHR-HNNXBMFYSA-N 481.624 4.226 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 2296716913 BQKIMDQWIZURCG-UHFFFAOYSA-N 469.426 4.204 10 10 JICE COc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)cc1 2297616217 WPQBZLBEKFSAGH-UHFFFAOYSA-N 465.600 4.261 10 10 JICE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2314414828 NUIUSQRHYOYFHX-UHFFFAOYSA-N 464.616 4.267 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OCC)c3ccccc3)C2=O)c2ccccc21 2314770141 ZOMBVKRCBWZKPJ-LJQANCHMSA-N 466.584 4.319 10 10 JICE O=C(O)CCNC(=O)CCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314831361 JHPKZAWAQUPNRI-UHFFFAOYSA-N 470.572 4.051 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)c3ccc(O)c(O)c3)c3ccccc23)SC1=S 2326954757 QYMJWGNPDGKFEN-UHFFFAOYSA-N 496.566 4.001 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641919 RNPAWDXGROARIG-IMWIBFENSA-N 452.551 4.305 10 10 JICE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 16915033 XFITWICYRHWGHW-DEDYPNTBSA-N 472.588 4.411 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCCC2)SC1=S 39989873 JQZAPTYYRAQFRH-RGEXLXHISA-N 458.653 4.430 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1nc(O)c2cnn(-c3ccccc3)c2n1 731034384 FNMOYFLQNQOIMG-UHFFFAOYSA-N 486.576 4.499 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033219 UVFBRZADPFHUMV-QHCPKHFHSA-N 490.604 4.248 10 10 JICE CC[C@@](C)(NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867238913 FSMCVKJANLRTBY-BJLXPSRBSA-N 494.547 4.446 10 10 JICE CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867407223 SQZZLNQWPJSYOF-RPWUZVMVSA-N 471.045 4.258 10 10 JICE CC[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869226 QEXZOWXFYKKBIM-SQHAQQRYSA-N 484.040 4.476 10 10 JICE CCCOC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871235530 RKXLXUVJAFHRBO-UHFFFAOYSA-N 478.593 4.098 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297313669 BFKPPYHEXQOHRY-UHFFFAOYSA-N 454.573 4.483 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 2297335506 YOAKYKDHZXKPGX-UHFFFAOYSA-N 458.514 4.231 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c(OC)c1 2297470477 MBVUFDQCEIOWDW-UHFFFAOYSA-N 451.552 4.387 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313558821 KNKFKKFVIXTHDC-UHFFFAOYSA-N 477.517 4.071 10 10 JICE O=C(O)COc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1 2314931183 LYAMTZARPPAGJH-UHFFFAOYSA-N 450.335 4.318 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCCC[C@H]5C)c(C)c34)CC2)cc1 10013149 HYKAIRGCOZEOOL-QGZVFWFLSA-N 465.623 4.350 10 10 JICE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N=C2S1 32964327 SYWLKYWAIJUEMY-GNMKNICSSA-N 486.513 4.392 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)ccc4C)c3[N+](=O)[O-])CC2)cc1 40592503 PQIAPWHIJBIMBN-UHFFFAOYSA-N 454.918 4.425 10 10 JICE Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)c3ccccc32)cc1 40844500 JZKUUEUXYLEJNG-DQRAZIAOSA-N 485.590 4.458 10 10 JICE O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526502712 XVGGYJVHCQQBPN-XMMPIXPASA-N 462.477 4.131 10 10 JICE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1524066466 HBUAUBOYOXADJW-XXBNENTESA-N 455.505 4.337 10 10 JICE C[C@@H]1CN(C(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)C[C@@H](C)O1 1772724911 PQBMBTRRRHBYLR-XXXRSFMGSA-N 468.600 4.107 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2C)n1 1867961292 LTEIBRAGUVKOAS-UHFFFAOYSA-N 475.637 4.386 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868837729 BXEJJCNBDKEMQF-AREMUKBSSA-N 451.611 4.023 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@]1(CN)CCN(Cc2ccccc2)C1 1881345067 HBVABFYVISHUOP-MHZLTWQESA-N 450.627 4.067 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3cc(C)cc(C)c3)C2=O)cc1 2296398122 VHGZBHCSTHZFGU-UHFFFAOYSA-N 457.530 4.413 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296716196 IGZRAKXJUFXRJB-HZPDHXFCSA-N 494.642 4.480 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1F 2297341122 ZKLUEUHCWVRRAB-UHFFFAOYSA-N 456.524 4.353 10 10 JICE CCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl 2297510453 DMYUXZXNCLFYAS-UHFFFAOYSA-N 462.289 4.139 10 10 JICE O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2314486194 BKQNGPCILFQZNE-UHFFFAOYSA-N 464.524 4.120 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2314827563 HOUWFHJAMKFDKG-UHFFFAOYSA-N 468.478 4.260 10 10 JICE C[C@@H](NC(=O)CCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314827644 JLHKWQYPYBKZGR-CQSZACIVSA-N 464.568 4.174 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc(O)cc1 2314831588 NXZPIWNPWVEPMU-UHFFFAOYSA-N 458.561 4.204 10 10 JICE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC(C)C)cc4)n3)cc21 11858068 NZJPGFYEHGQQFN-UHFFFAOYSA-N 473.576 4.143 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 15034562 DHPLHMWYKDPIHA-CCOVPTLTSA-N 490.990 4.340 10 10 JICE Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)NCc1ccc(N(C)C)cc1 33258618 BXAPWUXJMMUALB-UHFFFAOYSA-N 456.550 4.494 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(C)cc1)C(=O)c1ccccc1Cl 35960316 FZXVAEOHKNVENE-RUZDIDTESA-N 493.007 4.453 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 39836149 PWTBSJQLDVALAO-QGOAFFKASA-N 495.582 4.170 10 10 JICE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39991278 DYPOEXNMCCRVNH-RGEXLXHISA-N 458.653 4.430 10 10 JICE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 71972822 PUDYQHXQEDHJKN-ACCUITESSA-N 453.539 4.024 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C 253563716 FTGGWTNJLUIKFI-YTFSRNRJSA-N 469.468 4.138 10 10 JICE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526228721 LSCMLNLPPVBFCF-QHCPKHFHSA-N 479.485 4.189 10 10 JICE O=C(Nc1ccc(C(=O)NCc2cccnc2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692191 GYXYKNIWNANWBG-UHFFFAOYSA-N 476.492 4.431 10 10 JICE COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 750600397 OJZUPFSIRMVGBF-SECOEOQKSA-N 452.442 4.354 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(F)c3Br)c2)CC1 1523223394 JEWWYUISGBKCPN-UHFFFAOYSA-N 454.727 4.162 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861855334 FWLWTNCJEBNMHM-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CCCC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949562 OYCZPZILXJNGLB-DEOSSOPVSA-N 472.029 4.305 10 10 JICE CCCC[C@@H](NC(=O)c1ccc2nc(CCC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862106048 FPAQRJBAUDXSTG-XMMPIXPASA-N 491.636 4.161 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864023428 YVHJLERGOBLRID-MRRJBJDNSA-N 494.514 4.113 10 10 JICE CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870786505 DGMMOVMDRLGDAB-UHFFFAOYSA-N 478.574 4.298 10 10 JICE CCn1c(C(=O)NCc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570322 OOJZKEBXEGLZQO-UHFFFAOYSA-N 484.604 4.025 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(O)c1 2297322108 HVBMOYHIGUAVIK-UHFFFAOYSA-N 464.374 4.377 10 10 JICE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348231 WEWXOPNGSLBXHH-UHFFFAOYSA-N 463.431 4.124 10 10 JICE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2313538512 MELLSXIVODWPSL-UHFFFAOYSA-N 469.993 4.304 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 2314932304 LWRNACYMPSPSFD-UHFFFAOYSA-N 457.529 4.157 10 10 JICE COc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33933774 DCYODVLGXZJHMZ-HYARGMPZSA-N 495.491 4.307 10 10 JICE COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(N(C)C)cc1 54641742 IDBMABFNGLRZTA-FQEVSTJZSA-N 453.543 4.237 10 10 JICE O=C(CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210701666 PBRRAWSVUGTJLO-WOJGMQOQSA-N 452.517 4.306 10 10 JICE CCCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826257 CSBWCCUJYBLWAZ-LDADJPATSA-N 460.577 4.051 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864021266 OKOJLTDCMMQCCS-DYESRHJHSA-N 470.614 4.436 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864021286 OUSVFBBRJUQZGY-HNAUECLGSA-N 492.620 4.046 10 10 JICE CC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866792733 OOJMNRVHPYZHFX-LJQANCHMSA-N 488.565 4.410 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(n3cnnc3C)CC2)n1 1868481181 LWBKVGGKWYSOLX-UHFFFAOYSA-N 479.544 4.045 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(C)c([N+](=O)[O-])c4)c3)CC2)cc1 1872849380 XYXDGACTFPWASF-UHFFFAOYSA-N 461.518 4.453 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2)c1 1872884895 FOWGNMLIRWBRRR-UHFFFAOYSA-N 452.599 4.494 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1c1cc(Br)cc(Br)c1O 1952134039 BZMNECLLHBRCFF-MFKMUULPSA-N 450.171 4.317 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1O 2293188329 OCUBOVMZGWCREP-UHFFFAOYSA-N 486.105 4.137 10 10 JICE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 2294118707 RQPAZYYVPYMLDG-UHFFFAOYSA-N 470.481 4.193 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 2294279879 AZRGLCMEMHGHNG-UHFFFAOYSA-N 481.755 4.038 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2296565671 DVUYRHITJLAVJP-UHFFFAOYSA-N 452.875 4.130 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1 2313548930 JBUHPGPLULVHGS-UHFFFAOYSA-N 497.504 4.093 10 10 JICE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2313549062 MGABZNLCFCWYJP-UHFFFAOYSA-N 465.849 4.213 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OCC)c3ccccc3)C2=O)c2ccccc21 2314770140 ZOMBVKRCBWZKPJ-IBGZPJMESA-N 466.584 4.319 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837037 NKIINNAAOQXSDW-LLVKDONJSA-N 463.378 4.383 10 10 JICE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21 14545750 RQTHEVPAIGPIBW-PEKRRXIPSA-N 454.592 4.369 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683196 WVTOOCVUEZRZTL-PNCHPQGNSA-N 450.535 4.011 10 10 JICE CCOc1ccc(CC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694164 MSZJQBLXNKZEHQ-UHFFFAOYSA-N 459.590 4.062 10 10 JICE COc1ccc(N2CCN(C(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4)n3)CC2)cc1 255946215 VQJGVZRFWDZICV-MDWZMJQESA-N 462.575 4.198 10 10 JICE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4c(F)cc(F)cc4F)c(C)s3)ccc21 729110460 KCQKJSMACZTFQC-UHFFFAOYSA-N 467.494 4.246 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(Cl)cc4)n4ccccc34)CC2)cc1 1858229064 NJTBIJSBMNIGQG-UHFFFAOYSA-N 489.963 4.211 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864011090 ZEUAYSBKNYENCF-DYESRHJHSA-N 456.587 4.182 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864017273 IZPLTJNFMSTZCA-XDHUDOTRSA-N 496.567 4.418 10 10 JICE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(=O)O)c1 1866109169 GTVVQLYTFDIDLL-UHFFFAOYSA-N 483.274 4.097 10 10 JICE COC(=O)c1c(NC(=O)Cc2ccccc2S(C)(=O)=O)sc(C)c1-c1ccc(C)cc1 1866155130 FCWHPEGYVPPHKM-UHFFFAOYSA-N 457.573 4.403 10 10 JICE CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867331843 UQYJNLDPYVCSQM-CLJLJLNGSA-N 496.721 4.256 10 10 JICE CCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871515607 DCEHBICYOBRGPI-UHFFFAOYSA-N 465.577 4.114 10 10 JICE COCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420698 SVRREYVNGAFESY-UHFFFAOYSA-N 486.572 4.281 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421042 CZQYOGMDTFMLTR-UHFFFAOYSA-N 482.588 4.114 10 10 JICE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421263 ONVHICMEZTXSGG-UHFFFAOYSA-N 472.589 4.246 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNCCc1ccc(Cl)cc1 2042447188 MSWUTRDQNWTQTB-UHFFFAOYSA-N 454.766 4.111 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2296754916 RLKBAZHQUVNVID-UHFFFAOYSA-N 465.644 4.325 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S 2296936035 VQTKYSQZNJSBED-OAHLLOKOSA-N 453.995 4.328 10 10 JICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2297312684 SHXFNBGYHUUZHH-UHFFFAOYSA-N 494.642 4.481 10 10 JICE CCSC1=NSC2=NC(=O)C(=Cc3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C(=N)N12 2297341030 HHGHHTNBXWPYNF-UHFFFAOYSA-N 490.950 4.491 10 10 JICE COc1cc(C=C2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 2297355921 DZYYBRZBNQEGCC-UHFFFAOYSA-N 498.538 4.029 10 10 JICE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1 2313553154 NBEINBMSEXZRTF-UHFFFAOYSA-N 461.430 4.092 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 2313626202 GOJDSTQWDOJIIA-SMIHKQSGSA-N 463.489 4.031 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 2314509776 YTHHFGPNBCKQTQ-UHFFFAOYSA-N 499.545 4.000 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314761239 QMCSYBZDIGSVJY-UHFFFAOYSA-N 458.399 4.392 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc1 2323790036 ZJMVOGMSGOGRAD-UHFFFAOYSA-N 489.707 4.444 10 10 JICE CC[C@H](C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2355450 OAGAZGGQHQCTOY-YRIIZNAFSA-N 494.598 4.035 10 10 JICE O=C(CSc1nc2c(sc3ccccc32)c(=O)n1Cc1cccnc1)Nc1ccc(O)c(O)c1 2962276 BVNXNYZWNDOSRX-UHFFFAOYSA-N 490.566 4.197 10 10 JICE CCOC(=O)CCN1/C(=C/C=C2/SC(=S)N(CC)C2=O)Sc2ccc(OC)cc21 6353529 XAPWVUKIPFZSIS-WIBPKFNESA-N 450.607 4.166 10 10 JICE Cc1cc(Br)c(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1C 33438259 CONYCWGIAAZGJO-QGOAFFKASA-N 484.350 4.409 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 39989668 OWSSIANTQMDHDG-NDENLUEZSA-N 482.606 4.189 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]23)cc1 105526390 BUTSCXPKCKVBGY-OWYCYUENSA-N 465.505 4.247 10 10 JICE Cc1cc(/C=C\C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)c(C)n1-c1ccccc1 108674802 KWNDYPGGQLOBGO-SEYXRHQNSA-N 453.546 4.259 10 10 JICE CCCCCC(=O)NC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 726718236 DEKSSAJALIABEP-UHFFFAOYSA-N 466.573 4.127 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3ncc(Br)cc3C(F)(F)F)cc2)CC1 1651824859 XRWSWJDOIOTXRF-UHFFFAOYSA-N 457.294 4.144 10 10 JICE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)n2)c1 1858074472 YQIDFFCAHPQOML-UHFFFAOYSA-N 474.560 4.425 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017699 RYFDPTJBAZJNPP-QHCPKHFHSA-N 488.588 4.380 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027740 KIEBYCKAGHBKTO-FPTDNZKUSA-N 494.979 4.198 10 10 JICE CCOc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541520 ZMNMDEIVXAMXHV-VWLOTQADSA-N 480.653 4.003 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(F)ccc1NC(=O)N1CCCC1 1874179176 RZCFOBTZSOCJJM-UHFFFAOYSA-N 457.461 4.481 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 1891344623 PPJBZJCDTNJOKP-SVMVAKDDSA-N 468.395 4.107 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)C1 1951727763 YJJXCWPBYMKVKA-MHZLTWQESA-N 459.498 4.366 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079047300 KNJIJXYSQQOMQR-CQSZACIVSA-N 465.257 4.369 10 10 JICE CCOc1cccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2140602765 OBGMMLXAGKBDPO-QFIPXVFZSA-N 455.599 4.002 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2294235482 WWUQZBQMTXNXSF-UHFFFAOYSA-N 498.314 4.449 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl 2296397866 CLNRXWIYEDCSAB-UHFFFAOYSA-N 450.834 4.273 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296712280 SHKUEBLCGJTJTK-HZPDHXFCSA-N 470.664 4.487 10 10 JICE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)ccc1Br 2297335158 FSERGKMSIWILLA-UHFFFAOYSA-N 455.264 4.273 10 10 JICE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2=O)cc1 2297478002 MVVPLIMUDGBURG-INIZCTEOSA-N 492.500 4.247 10 10 JICE COc1cc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc([N+](=O)[O-])c1O 2323879634 NZLNYJAMUHKOLF-UHFFFAOYSA-N 485.587 4.175 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3)c3ccc4c(c3)OCO4)CC2)cc1 16953859 JSZJFZNFAGKIDX-DEOSSOPVSA-N 493.991 4.371 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)N[C@H]4C[C@H]5CC[C@@H]4C5)c4ccccc4n3)CC2)cc1 23431025 OVMUQDPHWLLDNR-UNVFRBQDSA-N 456.590 4.488 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)o1 27501407 STQJWFUIIRABQK-BOPFTXTBSA-N 484.262 4.087 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 33366242 RVCHYINPONAXOP-AMRJIULGSA-N 486.663 4.010 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1cccnc1 35638403 NTNBKRIZMWVXRJ-LFIBNONCSA-N 462.394 4.464 10 10 JICE OCCN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 59464865 UZWRODMDHQMURU-ISLYRVAYSA-N 493.086 4.393 10 10 JICE COc1ccc(N2CCC(NC(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 110421271 QTFQLFXHDAVEGK-RUZDIDTESA-N 458.562 4.343 10 10 JICE COc1ccc(CN2CCN(C(=O)c3cc(C)n(-c4ccccc4C)c3C)CC2)c(OC)c1OC 247842953 QUDJIVRUYJXKHL-UHFFFAOYSA-N 477.605 4.386 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526287622 UFBMBTMKUVVKTK-QHCPKHFHSA-N 489.480 4.037 10 10 JICE Cc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526604685 VRMMGNINCLDCOH-HHHXNRCGSA-N 485.584 4.211 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027009 CWJPIFTZMDOPBF-QHCPKHFHSA-N 476.577 4.244 10 10 JICE CCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665325 NHEBZOUDTBMGNI-LTGZKZEYSA-N 483.996 4.251 10 10 JICE C[C@@H](Cc1ccc(F)cc1)C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866836405 ZDOMAYPSUAKVMN-INIZCTEOSA-N 472.516 4.313 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cccc(C)c4)cc3)CC2)cc1 1872716199 PCRDRKRCCSBVFS-UHFFFAOYSA-N 452.576 4.094 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCCN(C)C)C2=O)cc1 1873169743 FYSLABSSMXZOMW-YADARESESA-N 462.638 4.294 10 10 JICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427579 QCCVMRKTXNPKRA-UHFFFAOYSA-N 484.600 4.389 10 10 JICE CCN(CC)CCCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873910210 DMRDSYBBHHPDFV-NDEPHWFRSA-N 487.648 4.026 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2296547609 LOMSZYMHXZRIEB-UHFFFAOYSA-N 488.679 4.257 10 10 JICE COc1ccc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 2297313924 XNMAMNFKEDNZPI-UHFFFAOYSA-N 465.531 4.329 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1=Cc1ccc(Br)cc1 2313510671 CMCDLNYSYLQXGQ-UHFFFAOYSA-N 456.336 4.373 10 10 JICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c(C)c1 20356290 UGNMNJGVGJHTAR-PTLCIYQVSA-N 489.601 4.434 10 10 JICE CN(C)c1ccc(CNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 32995238 UMLDJVPAMYRRKD-UHFFFAOYSA-N 457.987 4.149 10 10 JICE Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33383589 BZHFPQOHPZLMLB-DEDYPNTBSA-N 470.664 4.336 10 10 JICE O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35517196 BKQNGPCILFQZNE-UYRXBGFRSA-N 464.524 4.120 10 10 JICE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989890 FXIWHQALCWYUFB-MOSHPQCFSA-N 482.631 4.423 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)cc1 59860189 JYKMTQSZZVNGTF-RGEXLXHISA-N 450.451 4.100 10 10 JICE C[C@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586713228 VIVVTOPOWZZERR-CALCHBBNSA-N 483.524 4.355 10 10 JICE CC(C)(C)OC(=O)NC[C@H](NCc1ccc(Br)cc1O)C(F)(F)C(F)(F)F 722747830 CZNKHLYYRQGNJC-LBPRGKRZSA-N 463.241 4.335 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)c(C)c1 1084457285 SNUQJHSZAMCWKV-UDWIEESQSA-N 462.937 4.485 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cc(OC)ccc1OC 1857997061 ZAFVBEZQXYTFED-UHFFFAOYSA-N 475.498 4.127 10 10 JICE CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862119513 OURRJYHEHXGLMW-SANMLTNESA-N 457.574 4.219 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864009803 FCBFHXKIUDNGOM-HXUWFJFHSA-N 482.968 4.110 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014333 SGGGVMWFESUEIL-QFIPXVFZSA-N 482.540 4.171 10 10 JICE CCCNC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871136129 JUYMFTHEWFLDTE-UHFFFAOYSA-N 492.620 4.272 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079980466 DVTHIKXSFDTDAS-SFHVURJKSA-N 466.319 4.474 10 10 JICE CC(C)(C)OC(=O)N1CC(N(CCCC(=O)Nc2ccc(N)cc2)OCc2ccccc2)C1 2119221073 RUERDOGUFOBXLK-UHFFFAOYSA-N 454.571 4.041 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2296724057 AXYHEQTXXQPTEF-QGZVFWFLSA-N 479.583 4.175 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(=O)c1cccs1 2297534406 VZSIBLSMDMUPGO-UHFFFAOYSA-N 472.881 4.230 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(Br)cc1O 34859883 ZSYHTHCGHHHYLK-CXUHLZMHSA-N 479.377 4.100 10 10 JICE CCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC 37402167 JIJDRWCOAXBEOB-UHFFFAOYSA-N 465.591 4.132 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226695078 MVHRELOAXGMVLE-RNHFSVANSA-N 468.575 4.232 10 10 JICE O=C(NCc1ccccn1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586612778 IEYLAXOUTPXLJB-UHFFFAOYSA-N 476.492 4.431 10 10 JICE O=C(NCc1cccnc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586625591 QGILVROIOOWTLU-UHFFFAOYSA-N 476.492 4.431 10 10 JICE C[C@@H](Nc1cc(I)cc(I)c1)c1c(O)cccc1O 690406669 AHTIVZLVEJMYND-MRVPVSSYSA-N 481.071 4.480 10 10 JICE Brc1cccc(-c2nnc(N3CCOCC3)n2CCCSc2nccs2)c1 1748635902 YJSYTJOGFVLHGH-UHFFFAOYSA-N 466.430 4.183 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020677 FIICSLMECOTBRM-HSZRJFAPSA-N 484.556 4.218 10 10 JICE C[C@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867652279 IFVRHKXQJIVNOE-IDISGSTGSA-N 472.633 4.368 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867965606 ZAOXMNULGGCUGX-FGZHOGPDSA-N 473.621 4.401 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873420998 BQCWEUPNAQMWKW-UHFFFAOYSA-N 487.560 4.146 10 10 JICE CCN(C(=O)NCCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1874179167 RNNIHNBLRQTHIG-UHFFFAOYSA-N 455.514 4.417 10 10 JICE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)C1 2124506478 XRZGLWUQECZZNZ-RDPSFJRHSA-N 456.591 4.095 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc(Br)cc1 2294037608 YWABXMCUCBVHOQ-UHFFFAOYSA-N 458.308 4.344 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296848680 UAHVAYUHFONARG-KRWDZBQOSA-N 479.583 4.175 10 10 JICE O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2297350879 WXAAQMQCTYZKOD-UHFFFAOYSA-N 476.872 4.284 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1C 2313571519 YENMWGIYZCFDIK-UHFFFAOYSA-N 471.469 4.457 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 2314563170 NWNOTLCYOWDDQN-UHFFFAOYSA-N 471.585 4.153 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314827291 ATBCGUGGCUOVJZ-UHFFFAOYSA-N 493.404 4.393 10 10 JICE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837618 UYCAHPYTWKZODY-SNVBAGLBSA-N 463.924 4.182 10 10 JICE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323780774 PZODDEMNCCHQHO-LLVKDONJSA-N 450.763 4.119 10 10 JICE COc1cccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nccn3n2)c1 33266479 YYEHKDIHSRVBEZ-JOCHJYFZSA-N 484.604 4.004 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cccc(C)c4C)n3)CC2)cc1 33309913 JBPUREKISAAUII-UHFFFAOYSA-N 463.607 4.159 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066602 LEPQIVFTYVEXJH-AXLWCPOOSA-N 452.605 4.177 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5ccc(F)cc5s4)C3)CC2)cc1 90504438 AXLZOLCRUWUUOA-QGZVFWFLSA-N 454.571 4.009 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 210746283 BOYSAIGDVXWUPQ-XDHOZWIPSA-N 486.571 4.196 10 10 JICE CCc1sc(NC(=O)C(=O)N[C@@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764110 ZRSVFSXNZGTIMC-NSHDSACASA-N 467.385 4.380 10 10 JICE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873164476 DDKRKRMDTNVKDM-UHFFFAOYSA-N 471.557 4.493 10 10 JICE O=C(NC1(C(=O)O)CC(c2ccc(O)c(O)c2O)C1)OCC1c2ccccc2-c2ccccc21 1952552248 QJTGDWBYBDNSJC-UHFFFAOYSA-N 461.470 4.043 10 10 JICE CCc1nn([C@H](c2ccc(C)cc2O)C2CCC2)c(I)c1C(=O)OC 2079126427 XPBYEWOEAYIWPU-KRWDZBQOSA-N 454.308 4.240 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2296547652 UTZZSKZZKFGXBJ-UHFFFAOYSA-N 486.663 4.374 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 2296724121 VUJOYTZSASFDPJ-AWEZNQCLSA-N 494.598 4.035 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4F)c(OC)c3)C(=O)N=C2S1 2297364067 BZRRLRWIGHZDLP-UHFFFAOYSA-N 452.467 4.083 10 10 JICE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1C(=O)c1ccc(F)cc1 2297578828 PGQJAUSUTKQLBL-UHFFFAOYSA-N 469.300 4.472 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)c2C)cc1 14281161 GZBYZVLXNMQILV-VWLOTQADSA-N 484.556 4.320 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=N)N12 20114735 OBDVHIVBUSNPLF-RMXFNUKNSA-N 466.544 4.244 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 33417081 MDEWYMJWQAAVEL-JKGLIZDUSA-N 480.546 4.191 10 10 JICE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860083708 VWRYXUNQXFQFSO-CYBMUJFWSA-N 455.492 4.488 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010960 QPZDLBNBUJLNIT-QFIPXVFZSA-N 476.577 4.011 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865026392 MXKOHXQXHDHKAS-QHCPKHFHSA-N 494.567 4.133 10 10 JICE CC[C@@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867281317 PDIWAFVAGIGMNL-OAQYLSRUSA-N 492.535 4.308 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868844932 QAYRMLJQNYFLDX-RPBOFIJWSA-N 469.601 4.064 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5c[nH]nc5c4)c4ccccc34)[C@H]21 1873887991 GCYFITALZTUHBV-MHZLTWQESA-N 476.540 4.303 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc(O)c(O)c1O 1952863347 UTQNGKKXZPDGAQ-UGKGYDQZSA-N 461.470 4.200 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2053539390 NCDVOGLTGBEOTH-AWEZNQCLSA-N 464.546 4.262 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Br)cc1 2293771895 OAZRLERDZQUEPX-UHFFFAOYSA-N 494.388 4.323 10 10 JICE COc1cc(C(=O)NC(=Cc2ccc(N(C)C)cc2)C(=O)Nc2ccccc2)cc(OC)c1OC 2296644258 CKDVQBUEHKSXHC-UHFFFAOYSA-N 475.545 4.188 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1=O 2314832189 BPUYSWFHZPOIEL-GOSISDBHSA-N 452.532 4.305 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc(OC)c1O 2314837558 UIODBTKCPLAULJ-UHFFFAOYSA-N 493.632 4.266 10 10 JICE COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)c(OC)c1 756392 VWRRCAYKMYXVAP-HMMYKYKNSA-N 474.538 4.461 10 10 JICE COCCOC(=O)c1sc2ncnc(Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2c1C 19949517 NQOWLMGLHTVHEX-UHFFFAOYSA-N 473.510 4.322 10 10 JICE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCC(C)CC5)SC4=NC3=O)c2C)cc1 20356726 WAZCWDCGJDSQEZ-SMKDVUIYSA-N 476.606 4.411 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nccnc4Oc4ccc(C)cc4)C3)CC2)cc1 33168981 XYVSEJDOFMBIOM-JOCHJYFZSA-N 487.604 4.151 10 10 JICE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)c(OS(=O)(=O)CC)c1 37422455 XXAXOCBTSDZETB-OAQYLSRUSA-N 468.660 4.205 10 10 JICE CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(C)=O 37423060 HFAWJUGXPDSBKJ-SFHVURJKSA-N 462.612 4.456 10 10 JICE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 101799432 YYQNFYZFEUBMSA-BIWIXZEJSA-N 468.560 4.038 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526227392 ATKDXENTCWPLCK-XMMPIXPASA-N 479.485 4.189 10 10 JICE Cc1cc(CCNC(=O)CSc2nnc(-c3cccs3)n2C)c(C)n1-c1ccccc1 726768223 SRINWPFAKITZCB-UHFFFAOYSA-N 451.621 4.402 10 10 JICE CCN(CC)CCOc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858863220 NRUWDBCHNJSQCT-UHFFFAOYSA-N 458.518 4.222 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011243 DUHLLSYEWDXMGF-JOCHJYFZSA-N 496.995 4.305 10 10 JICE CC[C@@](C)(NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866572208 RJBNCGVKUQBTHQ-AREMUKBSSA-N 475.570 4.001 10 10 JICE CC[C@](C)(NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867330536 DRQOIEYOJFWUMD-NAKRPHOHSA-N 464.654 4.303 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccco3)CC2)cc1 1870352929 DDVGBCIQHAIYFE-UHFFFAOYSA-N 465.594 4.245 10 10 JICE COc1cc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc(O)c1O 1951857489 SSQATKWAMYXQSG-SFTDATJTSA-N 475.497 4.156 10 10 JICE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053497423 JONOARUWKWDPAU-UHFFFAOYSA-N 476.627 4.129 10 10 JICE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848757 MPWSWCBJMJSTCD-MRXNPFEDSA-N 454.308 4.311 10 10 JICE COc1ccc(Br)cc1C=C1C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O 2294593368 QEGIMWLJNLNPAK-UHFFFAOYSA-N 455.337 4.434 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296698697 GDDPASFNBPRCSD-CALCHBBNSA-N 498.674 4.150 10 10 JICE COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 2296940596 KUMZZQHEKMYZEP-UHFFFAOYSA-N 475.570 4.251 10 10 JICE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1813967 ZXIROFZCJMWMIF-QZQOTICOSA-N 465.600 4.434 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 16922708 XGWWTUOHJYOHHL-SXGWCWSVSA-N 495.485 4.132 10 10 JICE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 33366243 RVCHYINPONAXOP-HNMKQIAWSA-N 486.663 4.010 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33928625 UCUYXCMTKBUNJF-UHHWSGGGSA-N 459.512 4.030 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1 35387107 MYCOSCDLPLGARE-VYIPLNHISA-N 469.526 4.337 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)NC4CCCCC4)CC3)cccc21 1860590566 JSYIEPGEOSFCJE-UHFFFAOYSA-N 459.546 4.155 10 10 JICE CC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862215324 GNTFYOKDGKGRKL-RBTNQOKQSA-N 481.637 4.220 10 10 JICE CC[C@@](C)(NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597831 RLJDVGBRXICCJL-MUUNZHRXSA-N 472.516 4.457 10 10 JICE C[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866790808 HENXYORMIMBJKY-OAHLLOKOSA-N 474.538 4.020 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(C(C)(C)C)n3)CC2)cc1 1869176367 OEQBBZSPLLCFSP-IBGZPJMESA-N 453.631 4.113 10 10 JICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873165355 KXKRNCDDOFCJSS-UHFFFAOYSA-N 485.584 4.406 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(c2ccc(Br)cn2)CC1 1890335712 DCFVAFLMUNUCGS-AVRDEDQJSA-N 469.427 4.366 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2053539391 NCDVOGLTGBEOTH-CQSZACIVSA-N 464.546 4.262 10 10 JICE COc1ccc([C@@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080000739 YTSZXTWJEICPBZ-MRXNPFEDSA-N 471.339 4.060 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC 2294095697 ZBOMSEGKSKWIQP-UHFFFAOYSA-N 473.323 4.221 10 10 JICE CN(C)c1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2297340983 WMMSFWJVKVXICM-UHFFFAOYSA-N 495.402 4.137 10 10 JICE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)c1 2532971 XZIXEPGBAUPSIF-QZQOTICOSA-N 465.600 4.269 10 10 JICE O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccccc1 3764429 ZWBAMBNIVXERNQ-PDGQHHTCSA-N 451.485 4.401 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 14547941 HQSCVUDHUIDMFA-ISJBWFOZSA-N 462.571 4.393 10 10 JICE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 33480615 AWRMADXHFHKPFG-BEFAXECRSA-N 485.433 4.043 10 10 JICE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 726721180 ANYRDFLJHBNBTG-UHFFFAOYSA-N 464.944 4.442 10 10 JICE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N3CCSCC3)cc1)O[C@@H](C)C2 730528270 FFQSXZOKXZJIPY-JWNTYJGQSA-N 452.620 4.382 10 10 JICE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705702538 NIDREXJLSWSDCA-PXDATVDWSA-N 453.631 4.183 10 10 JICE CCCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862064375 IOMNUJSSXRMBQE-HHHXNRCGSA-N 487.600 4.304 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864007731 SVRVJQZHVWRVJL-XMMPIXPASA-N 486.572 4.293 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865035670 YWJSMLZWEIFOJI-FQEVSTJZSA-N 456.587 4.000 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c3ccccc3)CC2)cc1 1868832371 WURBAYAFTXSDIG-GMQQYTKMSA-N 487.575 4.144 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873169762 GJSXSNYQFAOVJZ-UHFFFAOYSA-N 471.601 4.433 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079038498 ZOJOKPRYJOXEAO-LBPRGKRZSA-N 468.213 4.464 10 10 JICE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106880417 JCWFHROTMUVRSL-SJORKVTESA-N 460.619 4.302 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](CNCc2c(O)cccc2Br)(C(F)(F)F)C1 2167683429 MBGAROYTKXKIHB-KRWDZBQOSA-N 453.299 4.434 10 10 JICE COc1ccc(Br)c(CN[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1O 2236057029 YTADCSROPUEPGM-NSISKUIASA-N 475.383 4.443 10 10 JICE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314741219 WKCVUNYJGGIVCA-HNNXBMFYSA-N 457.573 4.427 10 10 JICE COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc(OC)c1OC 8608768 HALUYBRGAADUKK-DEOSSOPVSA-N 475.589 4.312 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)cc3)C(=N)N12 20205568 PDRIJLZPMFVOMX-RYEIUNSYSA-N 482.587 4.483 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 20356533 ZUTXFHKOAOSHKR-DRAMHWHOSA-N 450.543 4.296 10 10 JICE Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 23512777 XOQVWQKIFSZWEK-UHFFFAOYSA-N 468.421 4.200 10 10 JICE Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(N(C)C)cc3)ccc2=O)cc1Cl 33128247 YRNUOEIVLGKRBY-INIZCTEOSA-N 456.999 4.057 10 10 JICE COc1ccccc1N1C(=O)/C(=C2/C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 34771866 OFHCMYRIVXBHPI-MRCUWXFGSA-N 465.600 4.261 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 39835616 AXYHEQTXXQPTEF-HNMKQIAWSA-N 479.583 4.175 10 10 JICE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1Cl 1083941992 FLKJUKYCZAELRM-PTNGSMBKSA-N 484.892 4.357 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC)c(C)c1 1857996800 GOJBUSVRTVVJOW-UHFFFAOYSA-N 459.499 4.427 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@H]2c1ccc(O)c(O)c1 1864020691 FJLODYSJBGBXNA-MWTRTKDXSA-N 490.604 4.401 10 10 JICE CCN(CC)c1ccc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2c1 1866560261 VZHVWNCDQIFKRN-UHFFFAOYSA-N 465.509 4.402 10 10 JICE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=C2SC(=S)N(CCC(=O)O)C2=O)cs1 2040446443 HLKNTNLIBHOKOE-UHFFFAOYSA-N 461.590 4.120 10 10 JICE CC1=NNC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O 2040465690 CBSRTPVVKOVTFU-UHFFFAOYSA-N 475.302 4.297 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2079024321 BJKIBEZDXVIGIN-QGZVFWFLSA-N 452.336 4.435 10 10 JICE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1 2293142354 AXQKUDMDHTZCOL-UHFFFAOYSA-N 469.316 4.191 10 10 JICE Cc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)s1 2296881701 WSLITZURTONYHW-UHFFFAOYSA-N 483.438 4.229 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 2296885187 HQEMEWJPCZLIDI-UHFFFAOYSA-N 459.980 4.365 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)c1C 2313548284 RAPCPNPMUUUHIT-UHFFFAOYSA-N 478.140 4.495 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 2314913662 OOYUTHOSQPVQOY-UHFFFAOYSA-N 455.586 4.311 10 10 JICE CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cc(Br)ccc2O)NC(=O)N1 823195 ZAJBAEODHDUAJH-MRXNPFEDSA-N 481.144 4.184 10 10 JICE COc1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)c(C(=O)O)c1OC 16906370 XJNBTBYDGIPCMX-NTEUORMPSA-N 463.309 4.247 10 10 JICE CCn1c(/C=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 96765770 KDJKDSKWTVLVRH-POHAHGRESA-N 468.457 4.494 10 10 JICE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C2=O)c1C 103555734 PGSXRZLJQANRDS-HAHDFKILSA-N 498.583 4.183 10 10 JICE Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)c2)n1 108612079 KBYOSYWVIACAAI-UHFFFAOYSA-N 456.502 4.176 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O[C@H](C)CC 1084362636 LHXWMCGNJYPVCU-KHAFMBKQSA-N 486.908 4.311 10 10 JICE O=C1/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088669598 YYJXOFVJQWKKJS-XYHYMSPGSA-N 475.457 4.113 10 10 JICE COc1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@H]4CNCc3ccc(N(C)C)cc3)n(C)n2)cc1OC 1616152458 HXMWNBSMNSZWFP-GVXSCFBNSA-N 489.664 4.138 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc(OC)c1OC 1860086990 UQXARUNAZYOWIM-LDADJPATSA-N 455.561 4.033 10 10 JICE CCCC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665767 KOHLXMDNINFUNE-OQKWZONESA-N 481.568 4.127 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873165189 HSIMOACEUICVGT-UHFFFAOYSA-N 477.992 4.306 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c(C)c1 1873425495 BFLVJGUYIVUQJV-UHFFFAOYSA-N 498.627 4.235 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4cccs4)cc3)CC2)cc1 1874739570 MFHRCBWAOUGVCT-UHFFFAOYSA-N 464.587 4.300 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2cc(Br)ccc2O)C1 2025234436 SSRCXGFLTUJOAW-OAQYLSRUSA-N 490.442 4.366 10 10 JICE O=C(N[C@H]1C(F)(F)C12CC(NCc1c(O)cccc1Br)C2)OCc1ccccc1 2142147870 ACCNLFUIUNZBIS-RPLTXICNSA-N 467.310 4.337 10 10 JICE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C(C(=O)OC)=C1C 2294082188 OMIKFRVBDWAANC-UHFFFAOYSA-N 473.367 4.176 10 10 JICE O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294095318 POHUFQRPWREKFE-UHFFFAOYSA-N 454.255 4.045 10 10 JICE COc1ccc(C=C2SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 2297335128 NJFUWCWDLWKEJQ-UHFFFAOYSA-N 460.024 4.330 10 10 JICE Cc1ccc(-c2c(S(=O)(=O)c3ccc(Br)cc3)nnn2-c2ccc(N)cc2)cc1 11730657 JUMMTIXDNYMOJW-UHFFFAOYSA-N 469.364 4.420 10 10 JICE O=C(COC(=O)c1cccc(OCc2cscn2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 17738382 YOHSSUBXAPWBPD-UHFFFAOYSA-N 498.516 4.293 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)cc1 33391554 YGQSUWHXWGPSIS-QTKYHAHDSA-N 452.601 4.303 10 10 JICE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 33480610 AWRMADXHFHKPFG-DNVCBOLYSA-N 485.433 4.043 10 10 JICE CN(C)c1ccc(CN(C[C@H](O)COc2ccccc2Br)c2ccccn2)cc1 40317176 GUIAHSOAZDCHED-FQEVSTJZSA-N 456.384 4.357 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NC2CC(C)(C)NC(C)(C)C2)cc1 103578279 HJAACQGWQRQAJL-CJLVFECKSA-N 477.565 4.137 10 10 JICE O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)NC(=O)NCCc1cccs1 109622697 ZEFGFFGXJVFCGP-UHFFFAOYSA-N 468.526 4.335 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 748720798 ARENXFBCQPNHAJ-UHFFFAOYSA-N 467.366 4.468 10 10 JICE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)cc2)C1 918117477 FYEYEVZMDWZYOX-NRFANRHFSA-N 476.552 4.319 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)c2)CC1 1128040920 VTIDHWMFVNXWAL-UHFFFAOYSA-N 451.958 4.063 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1O 1654726105 RJZIZHOKTUCNAK-CTNGQTDRSA-N 450.551 4.018 10 10 JICE COc1cc(/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)ccc1OCCN1CCOCC1 1865665799 MNYTURVXJMLTEO-HKOYGPOVSA-N 471.557 4.366 10 10 JICE CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2C1=O 1865767108 IYVFJGQJBRJNBD-UHFFFAOYSA-N 452.466 4.109 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873168660 FBGXXEKQWFLEHX-UHFFFAOYSA-N 483.547 4.069 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2294199302 PPLGCCHOKBFWOM-UHFFFAOYSA-N 485.776 4.491 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1O 2294244442 JCRIVGUQNKAXDA-UHFFFAOYSA-N 475.364 4.002 10 10 JICE CCCC[C@@H](CC)COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819109 JKMCGPMYIWZPKS-OSPHWJPCSA-N 472.534 4.436 10 10 JICE O=C1C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296705080 NSHXKNKAVFRJHR-OAHLLOKOSA-N 481.624 4.226 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N(C)Cc3ccccc3)nc12 2296755609 QZGQZJFTDQFHBM-UHFFFAOYSA-N 464.616 4.249 10 10 JICE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 2297307927 MRIZTZSLVFFPTN-UHFFFAOYSA-N 456.340 4.270 10 10 JICE N=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352793 XCWRLLJKQQDDEN-UHFFFAOYSA-N 476.345 4.162 10 10 JICE CCOc1cc(C=C2SC(=S)N(C)C2=O)c(Br)c(Br)c1O 2297577583 AXJIJASKWCWEBF-UHFFFAOYSA-N 453.177 4.147 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)NCc1ccccc1 2314836937 MBQHQNOQJZQVGO-UHFFFAOYSA-N 456.589 4.176 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33511181 CNQVNJHDKRLTGS-LDADJPATSA-N 450.589 4.226 10 10 JICE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCc1ccc(N2CCOCC2)cc1 108805552 REOODXQIWAIRQF-UHFFFAOYSA-N 472.511 4.203 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)c2)CC1 1616450826 JFGKEUBGGZBEFP-UHFFFAOYSA-N 450.926 4.448 10 10 JICE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705731082 RWWRNHPHZBNGRM-XUZZJYLKSA-N 479.625 4.185 10 10 JICE CCCC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702885 MNDBIDKUGBSVKV-AZGAKELHSA-N 497.595 4.378 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867330534 DRQOIEYOJFWUMD-LEAFIULHSA-N 464.654 4.303 10 10 JICE CCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867850926 JZKWWEHMOAWWDG-DQEYMECFSA-N 468.617 4.134 10 10 JICE CCCCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162243 MDLLYGFWYHBNJK-UHFFFAOYSA-N 492.620 4.185 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873167015 ONDVLGLULOBGHK-UHFFFAOYSA-N 453.546 4.249 10 10 JICE Cc1ccc([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079141126 YBUCODVVNQLTTI-INIZCTEOSA-N 455.340 4.360 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294204784 AODNDOZXWAGNBK-UHFFFAOYSA-N 452.875 4.130 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 2314836478 FRFZFOOOWQBUBA-UHFFFAOYSA-N 470.616 4.479 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15040014 XUZUZPCTCSWPIY-BOPFTXTBSA-N 476.963 4.364 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 33438193 YTCCRLREHWSFKK-XLSLOCCASA-N 486.663 4.008 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33723528 LYFOMRJXWGRZOX-XGHPXPSOSA-N 454.577 4.208 10 10 JICE O=C1[C@H]2[C@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 35531475 ZULCMHYQZWBAGM-HKBOAZHASA-N 475.859 4.174 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3c(F)cccc3Cl)c3ccco3)CC2)cc1 38598149 QTVGXYDPJDSSLO-NRFANRHFSA-N 457.933 4.374 10 10 JICE COC(=O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 40938543 UNXYNUXCEBQRAZ-VXPUYCOJSA-N 487.002 4.411 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C=O)cc2OC)c2ccccn2)cc1 54120923 OGMDOZPWWOSDTR-XMMPIXPASA-N 463.578 4.195 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210717994 SJZNTSPNXMFRQW-CPNJWEJPSA-N 488.587 4.038 10 10 JICE O=C(NCc1ccccn1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586624997 LDDQIUBRIJYQRJ-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 1858591957 DMWCOHXXFLBSPQ-ALDSOSFCSA-N 487.599 4.477 10 10 JICE CC[C@](C)(NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861905370 KOPBESVELDWMGI-NDEPHWFRSA-N 459.590 4.404 10 10 JICE CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370850 LUNZBKJOHDJAKF-DNQXCXABSA-N 471.045 4.258 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1 1868879071 UZUBMKIXTNHDIZ-FNZWTVRRSA-N 481.612 4.037 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(C)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970397 PYUIHMCPWGANOX-UHFFFAOYSA-N 498.587 4.172 10 10 JICE CCOCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162479 XNJZNWRQZQDEGJ-UHFFFAOYSA-N 471.601 4.433 10 10 JICE CC(C)OC(=O)Cc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873993467 KJBOVLAMRVHLRT-UHFFFAOYSA-N 466.493 4.461 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1 1891866880 DHXAEFZJPXNQQJ-RDPSFJRHSA-N 450.542 4.304 10 10 JICE Cc1nn(Cc2cccc(Br)c2O)c(I)c1C(F)(F)F 2079673767 VYRZLAMQFUPPLR-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)C)c(C(=O)OC)c1I 2079983518 FAIRXFRLSJRFOK-CYBMUJFWSA-N 458.296 4.111 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(F)F 2163121179 QGUNHLYZPQYYPX-WMZOPIPTSA-N 482.572 4.157 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 2293374337 RNJWADZZUUZFLM-UHFFFAOYSA-N 480.546 4.191 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(C)c1 2293806396 KMXOHLZGTUYVLE-UHFFFAOYSA-N 487.468 4.157 10 10 JICE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)C1 2296716220 MCKWWAQNADCFEH-HOTGVXAUSA-N 468.648 4.321 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 2296777464 HJKZPYIZQLCQOV-UHFFFAOYSA-N 480.549 4.111 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 2313558482 BXDUERLPOGYLNQ-UHFFFAOYSA-N 450.466 4.375 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)ccc1Br 2313630049 BMTSRJNKURULKP-SFHVURJKSA-N 486.366 4.021 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1O[C@H](C)C(=O)O 2314936109 VIPRXAZRNKEGJO-CYBMUJFWSA-N 489.571 4.360 10 10 JICE CCOC(=O)c1c(COc2ccccn2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393672 GZJQILAJPNROLR-UHFFFAOYSA-N 460.534 4.158 10 10 JICE CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)CC(=O)O)c(O)ccc3c2=O)cc1 94993356 JEFIEKNGTXCYJO-UHFFFAOYSA-N 495.406 4.003 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCc1ccccc1 104757047 VNESVQKVANSNLU-HYARGMPZSA-N 478.526 4.327 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccc4)c4ccccc34)[C@@H]21 504472996 ZJTSHDKGUZMHHN-MUUNZHRXSA-N 464.569 4.495 10 10 JICE biogenic CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029533 PLGLQIKRMPYHSC-OAQYLSRUSA-N 494.979 4.206 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc([N+](=O)[O-])c(C)c4)c3)CC2)cc1 1872848388 ARJAHSWQYWUKIA-UHFFFAOYSA-N 461.518 4.453 10 10 JICE CCOC(=O)Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884063 JEOVLGJZMXQNDK-UHFFFAOYSA-N 487.600 4.375 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873167741 VSIDGDPEIGSKJO-UHFFFAOYSA-N 492.664 4.065 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)cccc21 1874180079 ZAQKMTKBOSTSAM-MRXNPFEDSA-N 458.901 4.103 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 2313630081 GRQHINITKZRCGC-INIZCTEOSA-N 478.401 4.422 10 10 JICE COc1ccc(Br)cc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 2314769174 OMQMUDNUDAWBSZ-MRXNPFEDSA-N 464.362 4.485 10 10 JICE CCOc1cc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1O 2323879825 JQYPVTSDIUEGNF-SFHVURJKSA-N 458.605 4.304 10 10 JICE COC(=O)[C@@H]1[C@@H](c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2158032 ORNWOBUOFMEOMA-SDHSZQHLSA-N 465.505 4.302 10 10 JICE biogenic COc1cccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 33430025 KKCBNUOMWGUQDN-RELWKKBWSA-N 481.643 4.025 10 10 JICE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40315799 IQCDZZFKHNOOPT-FTJBHMTQSA-N 488.694 4.085 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(C)cc3)C2)sc2c1CCCC2 40325343 VVSSPFHJLCCQIO-GOSISDBHSA-N 454.592 4.142 10 10 JICE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CCN1N=Nc1ccc(F)cc1 254870333 VIFZJUSCGVOCJB-AWEZNQCLSA-N 494.483 4.291 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526624605 LIFYMNYUGJFVMC-VWLOTQADSA-N 475.497 4.269 10 10 JICE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 727974792 BRDSMFQIYUWWRK-CQSZACIVSA-N 465.531 4.036 10 10 JICE Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1857992785 WZVQEZCTHVAKEX-UHFFFAOYSA-N 466.541 4.402 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 1858590640 CATCNGQCMMZVRQ-XNTDXEJSSA-N 473.428 4.085 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864020693 FJLODYSJBGBXNA-WAIKUNEKSA-N 490.604 4.401 10 10 JICE CC[C@](C)(NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867238916 FSMCVKJANLRTBY-ZQHDKMAOSA-N 494.547 4.446 10 10 JICE CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905649 XVWGGUFYWRCWOD-FTJBHMTQSA-N 496.721 4.256 10 10 JICE CC[C@@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2079035331 BZAMLVXMHYYWFW-JTQLQIEISA-N 468.213 4.307 10 10 JICE C[C@H]1C[C@@](CN)(N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)CN1Cc1ccccc1 2194863472 LLZQNTOIJODVDR-KMRXNPHXSA-N 464.654 4.456 10 10 JICE C[C@H]1N(Cc2ccccc2)CC[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2194864572 SOIRKEDJLLKSCZ-PIKZIKFNSA-N 464.654 4.456 10 10 JICE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 2296759636 RAJXKMYYSHZUBG-UHFFFAOYSA-N 450.347 4.388 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2296808078 QDGKYWVWPHKVKP-UHFFFAOYSA-N 476.440 4.492 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 2297346539 ZDVADGNODJQEDN-UHFFFAOYSA-N 490.010 4.067 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 2297358436 UBLIFNJDAKOIQP-UHFFFAOYSA-N 460.461 4.075 10 10 JICE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323780775 PZODDEMNCCHQHO-NSHDSACASA-N 450.763 4.119 10 10 JICE COc1ccc2c(c1)c(C=C1SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C1=O)cn2C 2323865815 FXMCGDCYQGEGRD-LJQANCHMSA-N 452.557 4.084 10 10 JICE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)c2C)cc1 14370907 PLLACGPDVHYTCU-AREMUKBSSA-N 463.509 4.282 10 10 JICE O=C(O)c1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCc1ccccc1 33456410 ONOUEYDMSQXEBP-DEDYPNTBSA-N 487.424 4.379 10 10 JICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 39836055 YEDPFFWJHIRVMS-LDADJPATSA-N 495.582 4.088 10 10 JICE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989720 HQJLEPJEMQDNRS-GEYIUBJWSA-N 470.664 4.428 10 10 JICE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029630 RVKQAXJJORFVBB-HSZRJFAPSA-N 488.588 4.252 10 10 JICE COC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C)c1-c1ccc(C)c(C)c1 1865768924 YADIIPINXDTQET-UHFFFAOYSA-N 462.618 4.316 10 10 JICE CC[C@@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866597028 GPQFWCJXPNKERU-OAQYLSRUSA-N 458.489 4.067 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245755 NAICGOYOEUCVGO-IBGZPJMESA-N 480.012 4.357 10 10 JICE CC[C@@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2079035714 JSWRUDZQLNRDMH-VIFPVBQESA-N 454.186 4.218 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2297453393 UTBPSPAIKHECJY-UHFFFAOYSA-N 480.615 4.235 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 2297462782 IJKNNMOYPFGRDC-UHFFFAOYSA-N 466.497 4.317 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2ccc(Cn3cnnc3)cc2)cc1 2313682691 IQWYUYXDKQVWEF-UHFFFAOYSA-N 464.529 4.472 10 10 JICE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OC 2314766717 BKTNUJKJMQDJFF-UHFFFAOYSA-N 474.398 4.313 10 10 JICE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 2314827540 HCLAAIVHVJZSGI-UHFFFAOYSA-N 479.377 4.090 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccccc1F 2332141086 GFVSJZLAJVPNGI-UHFFFAOYSA-N 459.433 4.335 10 10 JICE CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)ccc3OCC(=O)OC)C2=O)cc1 1160831 CVUNTAUMCRKCGU-GZTJUZNOSA-N 487.306 4.070 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15047371 IYEHNNALVUSTTE-CQLSMYGBSA-N 458.561 4.028 10 10 JICE COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1cccc(C(=O)O)c1 17145766 QNZCHPQGYATHMP-UHFFFAOYSA-N 460.438 4.155 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152282 HMPYZXWHNHHNIV-UNOMPAQXSA-N 487.559 4.406 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C(=N)N12 96459468 BLAKEUZAEGJLFH-JBMLUDNBSA-N 496.570 4.333 10 10 JICE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526565573 DDISOUFBQNYXOP-QFIPXVFZSA-N 481.526 4.410 10 10 JICE CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C(=O)NC1=S 1084425668 LJSQRXAZKGCEPS-YVLHZVERSA-N 460.397 4.120 10 10 JICE CC(=O)N1CCN(Cc2ccc(NCc3cc(Cl)cc(Br)c3O)cc2)CC1 1657038601 BKQKYJNIRHHLCS-UHFFFAOYSA-N 452.780 4.084 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCC(C)CC2)cc1 1705575647 RKAZRIRSICCMRL-UHFFFAOYSA-N 491.437 4.393 10 10 JICE CCOC(=O)C(C)(C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858863046 MCIWCYGDIJYSDX-UHFFFAOYSA-N 473.485 4.222 10 10 JICE C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865927128 JEJHBPRCKVERRA-LJGDZFJRSA-N 462.638 4.006 10 10 JICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)CC1 1867972568 TZCOKMCGLVUELD-UHFFFAOYSA-N 472.637 4.011 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979099 GHTZZWNOFTUNFR-HXUWFJFHSA-N 494.039 4.341 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1873164584 IHZGFVNIASWPCQ-UHFFFAOYSA-N 450.627 4.296 10 10 JICE CCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422524 BLWDULXWGGCFDS-UHFFFAOYSA-N 457.530 4.022 10 10 JICE CN(C)Cc1cc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1951703567 RVVKZEXVAXTAJO-RUZDIDTESA-N 474.557 4.378 10 10 JICE COC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079215958 TVBPTDGOXVLKBC-UHFFFAOYSA-N 494.129 4.066 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294095089 INEVCCUQJDEUCE-UHFFFAOYSA-N 464.821 4.102 10 10 JICE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297321376 UOCCPSIYQWVIGQ-UHFFFAOYSA-N 473.967 4.316 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccn1 2297366432 FCHLKQPJFIPFPQ-UHFFFAOYSA-N 455.301 4.462 10 10 JICE CC[C@H](Oc1cccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1)C(=O)O 2314932859 ZVFXNPPASVRXBP-SFHVURJKSA-N 487.599 4.390 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Cl)ccc1O)N2 65298041 VYOBYLQTSCFVMZ-LJQANCHMSA-N 471.941 4.247 10 10 JICE biogenic O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 207317627 GKNGFXQKJHUVKZ-XDHOZWIPSA-N 476.583 4.455 10 10 JICE CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 1631425783 OQSPVGCDFCJDSK-GCJKJVERSA-N 458.986 4.115 10 10 JICE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)C(C)=O 1772763196 WYNPPWMDGYDTSI-GBOCSCABSA-N 455.557 4.460 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 1858592860 ZSULEWUMBKEOAH-VGVSSDJJSA-N 453.463 4.308 10 10 JICE CC[C@H](C)OC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857879 JYWQDTIUXFYGNT-HNNXBMFYSA-N 473.485 4.222 10 10 JICE Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1860591678 XXPCEDAHTXAGBL-UHFFFAOYSA-N 496.563 4.335 10 10 JICE CCC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862109768 CZJVJRZVEMSPQR-QHCPKHFHSA-N 488.028 4.140 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013611 DKXVKAVNDDIQGO-ZHRRBRCNSA-N 476.577 4.229 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019118 GQFFYZXLWMCUGX-SPLOXXLWSA-N 496.995 4.168 10 10 JICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864021605 QMIILUKSEGNODH-NYHFZMIOSA-N 476.577 4.011 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969621 GUDGYBPQEJXSLV-UHFFFAOYSA-N 482.588 4.472 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873166817 IJFFFSXBNNNBLQ-UHFFFAOYSA-N 471.557 4.349 10 10 JICE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873167358 CQDZEVBUTOXMQV-UHFFFAOYSA-N 485.632 4.091 10 10 JICE CN[C@H](c1ccc2c(c1)CCCN2C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163149531 KRPHXNFDBXOHKQ-LEAFIULHSA-N 464.654 4.499 10 10 JICE O=C(CN1C(=O)C(=Cc2c(Cl)cccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2296879997 PHLWNCYRCOWVBW-UHFFFAOYSA-N 484.342 4.447 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2297349543 RNXLYKURKRLGQJ-UHFFFAOYSA-N 487.559 4.232 10 10 JICE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313559900 AYMCXFPYXJIQIM-UHFFFAOYSA-N 457.486 4.109 10 10 JICE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 33904130 NPRWFGAKPCMZNY-TVQWTUMOSA-N 481.637 4.125 10 10 JICE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 34781410 HRBBWJLUABYFCD-WUKNDPDISA-N 497.436 4.422 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)n1-c1ccc(F)cc1 62694827 DCYIHMUUMWXXHF-UHFFFAOYSA-N 490.000 4.076 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(F)cc1 96450521 MWQUVMAPQHPCOV-MRDWGVERSA-N 456.524 4.353 10 10 JICE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 504693230 BRUAMEXMFBBSCU-LUFNOOMBSA-N 470.550 4.319 10 10 JICE COc1ccccc1-n1c(C)nnc1SCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 746425496 UPMSMFAOSQMMFV-UHFFFAOYSA-N 475.618 4.443 10 10 JICE CCOc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)c1O 1858594286 SNCFVQSQCBRPGL-JZQBQCRLSA-N 458.605 4.304 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1860075384 RXYQDRKQSWUFFX-XSFVSMFZSA-N 456.589 4.348 10 10 JICE CCCC[C@@H](NC(=O)c1ccccc1OCCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057735 BYXYUPNFHVGMAF-XMMPIXPASA-N 467.610 4.121 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(Cl)cc(Cl)cc3c2=O)c2nccn2C)cc1 1866079526 BRBGAPRHLZCNBH-IBGZPJMESA-N 470.360 4.154 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)N2CCCCC2)cc1 1866141661 ZHLMGAADSCRLTA-GOTSBHOMSA-N 458.647 4.185 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868704372 HSSBOORMSQSVOT-NTKDMRAZSA-N 472.029 4.332 10 10 JICE CC[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869224 QEXZOWXFYKKBIM-RPLLCQBOSA-N 484.040 4.476 10 10 JICE COC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 2296933512 QRELAZPIOQBALA-UHFFFAOYSA-N 464.861 4.361 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2297366184 OVLLCANZXQPQGM-UHFFFAOYSA-N 478.892 4.318 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314769668 UAPQVQQKPQPSTE-GOSISDBHSA-N 488.543 4.205 10 10 JICE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836218 BNPQQRCRYYIAGJ-LLVKDONJSA-N 475.419 4.344 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)Cc2ccc3cc(Br)ccc3n2)c2nccn2C)cc1 1866167610 YPALMJNDVJKVPN-HSZRJFAPSA-N 478.394 4.245 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600675 PWCUCDXKZNSJSJ-UHFFFAOYSA-N 485.636 4.097 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)C12CCC2 1881482699 KBUOUNPQHPHOQS-RUZDIDTESA-N 460.619 4.018 10 10 JICE CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(N(C)C)cc1)C[C@H](C)C2 2040843775 XOECVPBJORHTQE-SFHVURJKSA-N 456.590 4.242 10 10 JICE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 2296885292 NIHVUOABEMMUTK-UHFFFAOYSA-N 462.021 4.443 10 10 JICE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 2297345289 IZJVFNNPEOGOLX-UHFFFAOYSA-N 496.401 4.022 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)o2)cc1 2314433819 UTJCMOZABSJTSF-CQSZACIVSA-N 450.563 4.205 10 10 JICE C[C@@H](C[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335651954 HBJVPNUXZPBYEI-FXAWDEMLSA-N 462.635 4.095 10 10 JICE Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)no1 33323567 UCUXRMJGDLBKNH-GXDHUFHOSA-N 466.382 4.366 10 10 JICE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33351478 HOZBCNJCQYQMGA-RQZCQDPDSA-N 454.577 4.065 10 10 JICE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989708 BBHJSSWSEDIJHD-PFHZTYADSA-N 482.631 4.279 10 10 JICE O=C(NCc1cccnc1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586612411 DIXPABCHCASGGL-UHFFFAOYSA-N 476.492 4.431 10 10 JICE C[C@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@H](C)O1 586717799 FSNRLKVSMBXZPD-IRXDYDNUSA-N 483.524 4.355 10 10 JICE CCC[C@H](NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904433 DXTGSGIUTCOEIM-VWLOTQADSA-N 459.590 4.404 10 10 JICE CC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868885783 NHXMSKCSHPSKTP-RRPNLBNLSA-N 493.648 4.221 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170568 FYDUIYSIYFVXGM-UHFFFAOYSA-N 493.611 4.362 10 10 JICE CN(C)c1ccc([C@@H](O)[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2008878912 JYIKZFAHRJZCHV-SQHAQQRYSA-N 460.530 4.168 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040498218 FPMIRZQHMSJAAK-UHFFFAOYSA-N 488.704 4.338 10 10 JICE COc1ccc(OCCOc2c(Br)cc(C=C3SC(=S)NC3=O)cc2OC)cc1 2293509354 KLCKOPWQQHOVBP-UHFFFAOYSA-N 496.404 4.413 10 10 JICE Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)cc1 2296879972 NZHRRGJRJNRMPM-UHFFFAOYSA-N 459.401 4.397 10 10 JICE O=C1C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1Cc1ccccc1 2297295885 QJEDCWHSEASSRX-UHFFFAOYSA-N 451.323 4.464 10 10 JICE CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2297451572 JESBGZZJSJXZSM-UHFFFAOYSA-N 453.454 4.164 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313547931 GVKFTBXNRFCEAU-UHFFFAOYSA-N 496.483 4.129 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1811562 PMOAWJRBTKDRMH-KWZJRMENSA-N 464.546 4.262 10 10 JICE COc1cccc2c1O[C@H](C)C(/C=C1/SC(N3CCN(Cc4ccccc4)CC3)=NC1=O)=C2 33523490 BEYPFBSEUVKIAK-OZHVRZOASA-N 461.587 4.191 10 10 JICE N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(Br)c2)C(=O)N=C2SC=NN12 33746487 XKFDGKSPNNZDLJ-FYZBCYFQSA-N 486.307 4.185 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 526160733 QJKXHNKWXNEVOX-DEOSSOPVSA-N 491.496 4.334 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c(C)c1 727248859 GGQPNZWGGLFYCO-UHFFFAOYSA-N 454.476 4.307 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 1084421002 OCMAYCLIXJDRGS-JCMHNJIXSA-N 471.513 4.198 10 10 JICE CC(=O)c1cc(Cl)cc(CN(CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c1O 1652724441 SSPRKBVFRYVUCE-UHFFFAOYSA-N 452.938 4.315 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1857997576 FLMXYXWGEVIVBF-UHFFFAOYSA-N 460.443 4.018 10 10 JICE COC(=O)c1c(NC(=O)[C@H](N)CCSC)sc(C)c1-c1ccc(Br)cc1 1865920662 OYRNZRVLIYLEKK-CYBMUJFWSA-N 457.415 4.292 10 10 JICE CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867055690 BWKYOYKJQMFEGL-RTWAWAEBSA-N 452.510 4.099 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc(C)cc1 2293582612 OAKWKRDLXKOETK-UHFFFAOYSA-N 486.524 4.436 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1O 2314754608 WSJZOXCAPSHSAF-UHFFFAOYSA-N 488.425 4.488 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 2314827405 DGVLMGNGGOHGJU-UHFFFAOYSA-N 478.979 4.293 10 10 JICE CCN(CC)c1ccc(C=c2sc3nc(COc4ccc(Cl)cc4Cl)nn3c2=O)cc1 2326167086 RTYUVMPXLOLBMK-UHFFFAOYSA-N 475.401 4.431 10 10 JICE CC[C@@](C)(NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330110762 FLIKXPVXPPIIBM-AREMUKBSSA-N 470.013 4.386 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141335 QJLHGGZZQMQEMY-UHFFFAOYSA-N 489.459 4.344 10 10 JICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc2N(C)C1=O 11857493 UXVISFVMPQOSJO-NSHDSACASA-N 494.392 4.117 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)n1-c1cccc(F)c1 21374689 UKSAJLTZOKJHML-HHHXNRCGSA-N 459.521 4.372 10 10 JICE Cc1ccccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N(C)C)cc1 39919763 AVPURRFAFRMPBE-DEOSSOPVSA-N 464.953 4.391 10 10 JICE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990406 NYTICWJJNOABCF-CCRNYGKSSA-N 458.653 4.286 10 10 JICE CCNC(=O)N1c2cc(C)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 59060862 BKTGZNGMMUYXJG-UHFFFAOYSA-N 492.644 4.399 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c(C)n1-c1ccccc1 62694448 XMTUPLYMQQKGNP-UHFFFAOYSA-N 495.645 4.071 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1 104371890 KLXVNXOGLYPZLD-KEBSVHQNSA-N 468.560 4.093 10 10 JICE O=C(O)CN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)cc([N+](=O)[O-])c2O)SC1=S 207098634 NDIPHFOTILUNBJ-ZWSORDCHSA-N 474.560 4.054 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 526513152 VUWBCZNURHXUAM-DEOSSOPVSA-N 460.486 4.430 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc([N+](=O)[O-])c1O 1860074682 CPMFLQQHXTUPBV-VCHYOVAHSA-N 455.517 4.234 10 10 JICE CC[C@@](C)(NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862199455 NBVMLWUMOZZOLF-XMMPIXPASA-N 494.419 4.015 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864018040 BEYMNQWXPGDPLG-JOCHJYFZSA-N 494.567 4.045 10 10 JICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679399 LKPSXBGEMMBTPX-CIAFOILYSA-N 489.459 4.344 10 10 JICE CCCn1c(C(=O)NCc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572223 SXCGVFVQVMQGIB-UHFFFAOYSA-N 498.631 4.415 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080002782 CPUBJQSQVRHRGI-QGZVFWFLSA-N 451.352 4.320 10 10 JICE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163136735 WJKCZJJZUHCICC-LSYYVWMOSA-N 464.654 4.499 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)cc1O 2293779464 LMTRVWFCCDWXNG-UHFFFAOYSA-N 475.364 4.002 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 2294279966 LXRAHKBXEADANO-UHFFFAOYSA-N 482.359 4.080 10 10 JICE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2295934272 STKFSTCELGJOPA-UHFFFAOYSA-N 471.991 4.305 10 10 JICE COc1ccc(C=CC(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 2296056377 QFUIIMIXXMJLDL-UHFFFAOYSA-N 472.522 4.006 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2297560470 YXRWUFOUGUQYDJ-UHFFFAOYSA-N 460.740 4.415 10 10 JICE N=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N=C2SC(c3ccco3)=NN12 3005473 CGQDULVAFWOAQM-ODJOWLHGSA-N 473.470 4.434 10 10 JICE COc1cc([C@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469301 BGPABRCJPDRRHB-KWALNSLNSA-N 462.546 4.356 10 10 JICE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCc3ccccc32)cc1 15780711 JYOWJPWLCCRWPO-DEOSSOPVSA-N 456.011 4.488 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 33458388 GICDFZYFYUSPKZ-JXAWBTAJSA-N 454.621 4.075 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1Br 40940500 BMEZRTIIDZJKPX-MHWRWJLKSA-N 463.378 4.312 10 10 JICE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 95471052 HUSPYQMCABGOEH-JYRVWZFOSA-N 459.742 4.013 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1OCC(=O)N1CCCCCC1 96464992 BNGBAKGMUDBXOL-UHFFFAOYSA-N 482.536 4.496 10 10 JICE C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(N2CCOCC2)cc1 726707876 GRBBHZGMKWAXQS-GHTZIAJQSA-N 479.556 4.363 10 10 JICE CC(C)COC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858855513 LHLJATUBDJFWTB-MRXNPFEDSA-N 487.512 4.468 10 10 JICE COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860505258 PVCILVKVVFQBEG-UHFFFAOYSA-N 477.476 4.370 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n(-c4ccccn4)n3)CC2)cc1 1862376585 COBSAIBNAIAJRV-UHFFFAOYSA-N 453.546 4.214 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864019476 ZRDBEAWYEBPRJW-NRFANRHFSA-N 496.995 4.169 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868872427 OFPPJUINRHXKAL-CLOONOSVSA-N 484.040 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3sc(C)nc3C(C)C)c3ccccc3)CC2)cc1 1868977175 WXNOPSWQVIAHAG-XMMPIXPASA-N 492.645 4.403 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(C)c(Cl)c4)ncc3[N+](=O)[O-])CC2)cc1 1871302351 NSSLLMYDYWYASC-UHFFFAOYSA-N 454.918 4.425 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164832 UWPQRYYWRPRNMC-UHFFFAOYSA-N 492.579 4.438 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164998 CDPYDWYAQCBRGO-UHFFFAOYSA-N 467.610 4.004 10 10 JICE COc1cc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)cc(O)c1O 1952679558 DHKYDYRDNRPHDJ-UHFFFAOYSA-N 475.497 4.346 10 10 JICE O=C(N[C@]1(c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762860 NOOORRFARYPXMY-BWKNWUBXSA-N 460.442 4.139 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079007239 PHMHTGYGHJORBQ-KRWDZBQOSA-N 453.324 4.114 10 10 JICE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c(I)c1C(=O)OC 2079952149 DPVZLNCCUFOWSQ-QGZVFWFLSA-N 456.324 4.405 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)OCC1(C)C 2165620110 BZSUHFFUUCQQLP-CQSZACIVSA-N 463.800 4.312 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCCCC2)cc1 2294095689 YPXWOPOENHNCCF-UHFFFAOYSA-N 454.324 4.106 10 10 JICE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(F)cc1 2296538507 TVUHCGKTUZXUJY-UHFFFAOYSA-N 493.541 4.176 10 10 JICE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2313548685 CBLCPWDDNPHCMY-UHFFFAOYSA-N 464.861 4.003 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N([C@H](C)CC)C3=O)c3ccccc32)cc1 2509080 MBTGWVFEIUQNLS-UCMDFWOYSA-N 495.626 4.441 10 10 JICE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33330606 HZUANCGKECARJE-CPNJWEJPSA-N 474.567 4.301 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39989737 ZAPHLDSXCJKLDR-JYAVETKUSA-N 458.653 4.142 10 10 JICE CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 40940471 WXIIZQIJZGBBCH-LFIBNONCSA-N 462.394 4.061 10 10 JICE CS(=O)(=O)Nc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913098609 BOOAEDJYYZPLCW-NRFANRHFSA-N 463.519 4.218 10 10 JICE CCc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 1084269557 UPJOBOCEKSBNKQ-JCMHNJIXSA-N 486.549 4.358 10 10 JICE CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1301698681 ALSCOHDFJSZACD-UHFFFAOYSA-N 466.674 4.210 10 10 JICE C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1741008562 SCKHTLWCEZCPTP-POWXATIXSA-N 468.652 4.408 10 10 JICE O=C(CNCc1ccc(Br)cc1F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860720923 BKXQBBQXRHCUKH-UHFFFAOYSA-N 467.294 4.092 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012452 ACMYTKVPXWKGHY-NRFANRHFSA-N 496.995 4.169 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865026755 AAKGNLBILXUZJL-DEOSSOPVSA-N 488.588 4.057 10 10 JICE O=C1C(=O)[C@@H](N[C@@H]2CCCC[C@H]2N2CCCC2)[C@@H]1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395932 YPXGJWCPLUUHRX-BDXSIMOUSA-N 477.449 4.022 10 10 JICE COC(=O)C=Cc1ccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 2053539706 QJXZUEMKORVLHN-QGZVFWFLSA-N 452.442 4.354 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079956238 DNRHPYWTGIFBSR-INIZCTEOSA-N 470.307 4.077 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052593 OCWIACQSNRNUTJ-CQSZACIVSA-N 465.257 4.287 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)c(O)c1 2080054900 XCGYVHNRDDEGNI-QGZVFWFLSA-N 468.335 4.135 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 2294093749 LMYNHFMSMIRVAC-UHFFFAOYSA-N 495.285 4.162 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 2296881403 FPJFAUOGVPUIOB-UHFFFAOYSA-N 470.616 4.092 10 10 JICE COCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N(c2ccccc2)C1=O 2297556233 UNVXAGYLWUTUCK-UHFFFAOYSA-N 460.461 4.387 10 10 JICE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cs1)c1ccccc1F 12813048 VJSBTBWJMYQUSA-DHDCSXOGSA-N 465.553 4.033 10 10 JICE C[C@@H]1C(=O)Nc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)cc21 1859572897 PQUSYBPLPAYUIW-VIFPVBQESA-N 464.912 4.228 10 10 JICE COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1 1860502283 QAZRUKPDQPKLBW-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)N2CCCCC2)cc1 1866498278 FVGMXOMPBUEMSV-QHCPKHFHSA-N 452.986 4.205 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)N(c5ccccc5)[C@@H](C)C4)nc(C)n3)CC2)cc1 1869294188 RWSCZZMXNPVJOB-VXKWHMMOSA-N 472.637 4.224 10 10 JICE CCCCCCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673542 PLLDVFABXJQMMH-UHFFFAOYSA-N 498.712 4.480 10 10 JICE CCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC 1873578234 XSDDAYRRAPWXPA-UHFFFAOYSA-N 464.614 4.097 10 10 JICE CC1(C)CC(NC=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)CC(C)(C)N1 2297734919 NDZXGEYGHJQFCB-UHFFFAOYSA-N 451.518 4.344 10 10 JICE CCCOC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945448 XAWPOXBTRAXJDA-CQSZACIVSA-N 460.577 4.222 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2930255 FPCUCJCVPAQPDX-GZTJUZNOSA-N 497.326 4.239 10 10 JICE CCN(CC)c1ccc([C@@H]2N(C(=O)C(F)(F)F)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 20070088 YBAJZEIEQTUPJF-UTKZUKDTSA-N 483.556 4.324 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 22748139 LMLVQVOIYWXYFS-BHIFYINESA-N 489.886 4.483 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413143 PXOMAVWGKHWXJD-DEOSSOPVSA-N 486.959 4.313 10 10 JICE CC(=O)c1ccc(SCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1 107980277 XUSCWSAZNDWBGU-UHFFFAOYSA-N 470.488 4.292 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)CC1 1749773549 SYZDIORANVHYSR-UHFFFAOYSA-N 491.684 4.140 10 10 JICE CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3ccc(O)c(O)c3)c(Cl)cc12 1860264290 QDQFEYOZYWUNBN-CQSZACIVSA-N 459.926 4.326 10 10 JICE CCSc1ccc(Cl)cc1CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861908245 KQYSSVCXJZVRDN-UHFFFAOYSA-N 490.069 4.247 10 10 JICE CCCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258199 XEHVWIUYWQQHIQ-SANMLTNESA-N 481.637 4.367 10 10 JICE COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)CCN1C(=O)CSC1=S 1865768200 MLHFKYVMKVGVCF-UHFFFAOYSA-N 474.629 4.269 10 10 JICE CCCCCOC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870844101 RAQNHYSDNDGEDV-UHFFFAOYSA-N 479.577 4.309 10 10 JICE CCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165779 VDRLFVYRHSIPHI-UHFFFAOYSA-N 473.573 4.261 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)CC2)cc1 1874736026 MAFCDWXCUUBZEN-UHFFFAOYSA-N 489.528 4.218 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)ccc(N)c2C1 2106811623 HROLAWXSPNEWKN-CALCHBBNSA-N 458.603 4.150 10 10 JICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 2293771922 ULRCIPIKQIAZOG-UHFFFAOYSA-N 495.490 4.478 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313559939 CEKUEKXEZDKKRJ-UHFFFAOYSA-N 458.474 4.319 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c1 2313560505 VZQLNRIITDIZJN-UHFFFAOYSA-N 464.861 4.395 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccccc3Br)C2=O)c1 2320656207 JUBJIIDUIAWVHZ-UHFFFAOYSA-N 477.405 4.089 10 10 JICE COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4F)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659261 JUWDHQCQFLTOHW-QFIPXVFZSA-N 498.514 4.063 10 10 JICE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1OC 33333056 ZXOKIELTXREPQR-OVCLIPMQSA-N 492.912 4.101 10 10 JICE O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccc(C(F)(F)F)cc1 95538842 ZSGAEDGUZAUJPR-UHFFFAOYSA-N 456.468 4.381 10 10 JICE Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 95927047 UGSJJPVTQISIMX-JJFYIABZSA-N 475.526 4.498 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 206845243 OVFCFMDVJOIIJW-QZQOTICOSA-N 466.584 4.148 10 10 JICE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3NCc3ccco3)SC2=S)cc1 208270712 WFVPQBXUYHOQSS-SRZZPIQSSA-N 490.610 4.480 10 10 JICE O=C(c1ccc(F)cc1)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 913102528 GBKJGSPHGUPJEN-DEOSSOPVSA-N 485.519 4.331 10 10 JICE Brc1cc(CN2CCC(CCN3CCOCC3)CC2)ccc1N1CCCCC1 1205830884 FISCJRLFNINPAE-UHFFFAOYSA-N 450.465 4.374 10 10 JICE COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860552282 YPVCRNUZSSSTMX-UHFFFAOYSA-N 477.476 4.370 10 10 JICE Cc1cccc(OCCCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860827084 QXNMOPFUPXZNOU-DQRAZIAOSA-N 496.610 4.247 10 10 JICE CC[C@](C)(NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867888519 KHCNQMCQGISGFM-WNJJXGMVSA-N 493.696 4.061 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5F)CC4)nc(C(C)C)n3)CC2)cc1 1867950132 JRSURTNJUTYHPO-UHFFFAOYSA-N 490.627 4.401 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869182809 BPOJDQOUGLYNFN-XMMPIXPASA-N 488.636 4.082 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3cccc(Cl)c3)C4=O)CC2)cc1 1891871778 KRBVEUHJEALYGS-UHFFFAOYSA-N 475.932 4.112 10 10 JICE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2154541108 KWNYCWRHQOXXAT-NQIIRXRSSA-N 451.792 4.331 10 10 JICE COc1ccc2ccc(OC)c(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 2294095342 QMPDEPNFLZHRAU-UHFFFAOYSA-N 481.302 4.286 10 10 JICE CCOC(=O)c1c(NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)sc(C)c1C 2296885106 CWKWZIFVWQEDHZ-UHFFFAOYSA-N 466.631 4.443 10 10 JICE CCCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 2318683478 DMWCOHXXFLBSPQ-GOSISDBHSA-N 487.599 4.477 10 10 JICE Cc1ccccc1OCCCCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326944895 AQLQBTMPOQSCBW-UHFFFAOYSA-N 496.610 4.247 10 10 JICE O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2cc1-c1nc2ccccc2o1 15225981 PQKWOZRMUAKGGF-AEFFLSMTSA-N 481.508 4.088 10 10 JICE biogenic COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c(Br)c(Br)c1O 16194696 ZWFIMXWOBSEVGL-XFFZJAGNSA-N 496.111 4.433 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)SC1=S 40888814 DBLIXGRZMBUQFM-UVTDQMKNSA-N 474.398 4.098 10 10 JICE CCc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 606618887 ADBIZHRQPZTJQJ-UNOMPAQXSA-N 472.588 4.115 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O 1167006938 RLDOYBIHEAWZPE-MRXNPFEDSA-N 454.958 4.485 10 10 JICE CC[C@](C)(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861925781 OOGNVOMAXLMKKR-QHCPKHFHSA-N 464.393 4.249 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864012702 HDGDCABSASHNTG-HSZRJFAPSA-N 490.604 4.214 10 10 JICE CCOC(=O)CCCOc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870797664 FSCMILKCZXDFMU-FQEVSTJZSA-N 479.577 4.307 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COCc4ccccc4)cc3)CC2)cc1 1874757090 ZBRHBWBQYCKFNE-UHFFFAOYSA-N 487.600 4.246 10 10 JICE CC[C@H](c1ccc(OC)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2080041931 DISXFRPKUVRZHT-CYBMUJFWSA-N 470.307 4.039 10 10 JICE CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C1=O 2294276903 NKHBTVCRSUHUPP-UHFFFAOYSA-N 487.512 4.166 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccnc1 2313466200 ZFQCGKFBIAHMSQ-UHFFFAOYSA-N 455.301 4.462 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2314414163 RDTYPFLESUSFEN-HNNXBMFYSA-N 450.589 4.397 10 10 JICE CCC[C@@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329517847 CBQYEQFDLPUGJJ-AREMUKBSSA-N 479.621 4.131 10 10 JICE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1C 20356215 VVXCBUPVMZPQRQ-JRNAOYQWSA-N 489.601 4.434 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33796000 IXKNXWMWCRXPRS-LICLKQGHSA-N 471.007 4.490 10 10 JICE CC1(c2ccccc2)OC(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)O1 58833755 WXCFHCFFBPXEGT-UHFFFAOYSA-N 468.097 4.274 10 10 JICE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@@H]21 226876707 RQTHEVPAIGPIBW-XVIHEJCXSA-N 454.592 4.369 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 250756698 LTPKMFRRZGBUPH-RNHFSVANSA-N 450.535 4.213 10 10 JICE CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2ccc(N3CCC(O)CC3)cc2)cs1 1621016666 RZDJLVSWEKODQK-UHFFFAOYSA-N 454.571 4.218 10 10 JICE CC(=O)Nc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347294 INDOWXQARHSPGN-MUUNZHRXSA-N 493.567 4.385 10 10 JICE Cc1cccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1 1860895531 FFDAOBBNOPZFDA-UHFFFAOYSA-N 456.590 4.271 10 10 JICE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012550 CXOUKDSBPMQFNX-IVZQSRNASA-N 494.567 4.044 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cccc(C(F)(F)F)c3n2)c2nccn2C)cc1 1866533920 NIGMIOAMUGBXKX-HXUWFJFHSA-N 469.467 4.278 10 10 JICE CC(C)(NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867055691 BWKYOYKJQMFEGL-SFTDATJTSA-N 452.510 4.099 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969581 FNADXAKNOSMUGP-UHFFFAOYSA-N 460.582 4.040 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1C 2040565417 MRHIRDGTGIVFTR-UHFFFAOYSA-N 460.559 4.159 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2053493798 FXTLNZXNLAPPGW-UHFFFAOYSA-N 480.615 4.234 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)NC1=S 2293311875 ZCDALFUIUIVSDG-UHFFFAOYSA-N 474.380 4.172 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 2293345733 QFINEBURWHPUPH-UHFFFAOYSA-N 480.546 4.109 10 10 JICE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2294581375 MZQZXABLVSLBPY-UHFFFAOYSA-N 469.497 4.284 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC 2296412427 UXXXFCGEVJYIHC-UHFFFAOYSA-N 489.391 4.386 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1C 2297341080 RMRGQLKJZOKFQO-UHFFFAOYSA-N 482.587 4.401 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 2297468892 DURBTTJWCPBQKD-UHFFFAOYSA-N 486.557 4.174 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313546017 WIYYYJPNEWIZDC-UHFFFAOYSA-N 480.771 4.127 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20696950 HFRQFDIZLRLUKQ-PLXFJCCSSA-N 467.635 4.380 10 10 JICE O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33712866 KBCKASLYTVBHMV-ZSOIEALJSA-N 484.296 4.311 10 10 JICE COCCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 213210656 SVENJGAVLLAKSX-RGEXLXHISA-N 481.599 4.341 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCc4cccnc4)[C@H]3C2)cc1 245279958 LCQQBSDQSFFKDT-ILBGXUMGSA-N 496.533 4.293 10 10 JICE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCN(c2nc3ccccc3s2)CC1 727483897 UEVCDTKGYPWNND-UHFFFAOYSA-N 464.635 4.038 10 10 JICE Cc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1S(=O)(=O)N(C)C 1857991673 HSXQPFQSPDFDEI-UHFFFAOYSA-N 476.602 4.198 10 10 JICE COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nnc(C4=S=CC=C4)s3)oc2c1 1859762177 KJEFFAAWDYQBBZ-UHFFFAOYSA-N 461.524 4.198 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864014126 NXJAGDUWHBXLBL-HNAUECLGSA-N 492.620 4.046 10 10 JICE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034969 ILLFUWPURBXDKJ-OAQYLSRUSA-N 496.995 4.121 10 10 JICE CCN(CC)c1cc(C)c2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(O)c2c1 1866560861 KUOIYJKZUSFMJI-AREMUKBSSA-N 486.620 4.414 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCOC(C)C)CC2)cc1 1870612269 UPPVZRZYLRGROG-UHFFFAOYSA-N 483.653 4.339 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccccc4OC)cc3)CC2)cc1 1874750965 YKNMQCUIAYNACK-UHFFFAOYSA-N 487.600 4.280 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1cc(Br)cc(Br)c1O 1952607807 MOUVECAYUOKQQX-CHWSQXEVSA-N 450.171 4.317 10 10 JICE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2053498080 HMXYRCKAERNGHO-INIZCTEOSA-N 480.615 4.105 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1 2294124613 FVFURKJOHOFILN-UHFFFAOYSA-N 488.500 4.240 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296546110 NUVGZZSFJUSOFV-INIZCTEOSA-N 474.652 4.230 10 10 JICE COc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2)cc1OC 729288 HCPHYPKMEBJAPO-KQWNVCNZSA-N 459.546 4.488 10 10 JICE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 2253000 OCNGFISUPCEGTA-RBYWHNRPSA-N 464.616 4.128 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 20236631 ZFJLQCPNJONLKQ-KUYAPCGNSA-N 451.866 4.408 10 10 JICE CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(I)ccc1O 101549708 VTMLZPUZHYWPKJ-WJDWOHSUSA-N 476.270 4.281 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226746606 LTPKMFRRZGBUPH-UMEGOILYSA-N 450.535 4.213 10 10 JICE O=C(NC[C@@H]1CCCO1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586614731 NYESSBZSXFAYQN-IBGZPJMESA-N 469.497 4.015 10 10 JICE Cc1cc2c(n1-c1cc(I)cc(I)c1)CCC[C@H]2N 709796633 BUCUPRQXHKRFLP-CQSZACIVSA-N 478.115 4.331 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3C)c(C)s1 1859573821 ULLDINKIJTUBLR-UHFFFAOYSA-N 463.968 4.100 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868481581 WGVNKCMMPZUOCU-HSZRJFAPSA-N 477.524 4.277 10 10 JICE O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017933 YQDKTXMEWUHBFV-UHFFFAOYSA-N 485.499 4.478 10 10 JICE C[C@H](NCc1cc(Cl)cc(Br)c1O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1918985119 TYYSKIWDRFDKDB-LBPRGKRZSA-N 463.800 4.048 10 10 JICE CC(C)(C(=O)O)[C@@H](NC(=O)OCc1ccccc1)c1cc(I)ccc1O 1951857917 VCBZQECDNRTDGT-INIZCTEOSA-N 469.275 4.075 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2294216446 BFKGTVZVIGKVDR-UHFFFAOYSA-N 479.945 4.277 10 10 JICE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 2294253441 UDZLOHSTKQOKOE-UHFFFAOYSA-N 466.902 4.438 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2297322280 ZZLXGNVDQCVFKS-UHFFFAOYSA-N 480.933 4.487 10 10 JICE Cc1ccc(CN(C)C(=O)c2csc(I)c2)c(O)c1Br 2380778304 RQUKEXZMBNKRJA-UHFFFAOYSA-N 466.138 4.401 10 10 JICE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 1164845 UQHDRDNIBDZZFL-HMMYKYKNSA-N 488.594 4.344 10 10 JICE COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18122478 IBLDWEXCXNOAAC-FSSWDIPSSA-N 487.895 4.044 10 10 JICE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 20718042 VWVBPTFXXFZMDU-XSARVHFWSA-N 454.592 4.369 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 33751729 MIBITAXKRWCAGP-WQRHYEAKSA-N 450.589 4.145 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 39885905 WMINKQVSQGHIAR-QBFSEMIESA-N 450.636 4.270 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152238 HGBTXSYLISOHOX-UYRXBGFRSA-N 487.559 4.319 10 10 JICE COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1 96450559 JDDLCXQQMSNCCA-IMIHHMTGSA-N 482.587 4.483 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206468868 XAIBTUXGLXRPSZ-LTGZKZEYSA-N 471.600 4.471 10 10 JICE Cc1csc([C@@H](C)NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n1 727669848 TXWHOXMIESPIKQ-DKTFCQPKSA-N 482.450 4.293 10 10 JICE CC(=O)c1ccc2c(c1)CN(C(=O)CCCN1C(=O)/C(=C\c3cccs3)SC1=S)C2 1436689352 DASVTVJZGGNXCQ-YBFXNURJSA-N 456.614 4.475 10 10 JICE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)C1 1540938686 YZDWSLPFNFOHQL-QHCPKHFHSA-N 478.641 4.082 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](c5ccc(F)cc5)C4)nc(C)n3)CC2)cc1 1869298316 MTRVILXUDWBYJL-DFBJGRDBSA-N 477.584 4.226 10 10 JICE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)CC1 1892105826 BKTNZMIANFTWHU-URXFXBBRSA-N 467.635 4.026 10 10 JICE COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1OC(=O)c1cc(O)c(O)c(O)c1 2069501286 RSJRCGFMAPFKMY-UHFFFAOYSA-N 457.523 4.420 10 10 JICE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 2297341103 WTEYVWREUIMVCM-UHFFFAOYSA-N 496.570 4.253 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1C 2314506521 FGNOZWLGMPGDDL-UHFFFAOYSA-N 495.582 4.170 10 10 JICE O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11158524 WOFJJYGXRORZLL-OAQYLSRUSA-N 482.989 4.203 10 10 JICE COc1ccc(N2CCN([C@@H](c3ccco3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852632 PBWZCDHUUDBBKY-FQEVSTJZSA-N 477.546 4.270 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccccc4Cl)n3)CC2)cc1 33309934 GYDCSPMLMOJKIK-UHFFFAOYSA-N 469.998 4.196 10 10 JICE CCCCOC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 40888799 CHVKWRPCZQEQLM-GDNBJRDFSA-N 488.425 4.401 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)CCOc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694613 GQEZCGZSAGJWDE-UHFFFAOYSA-N 463.553 4.029 10 10 JICE CCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 95927357 BYRPFTUIAQUCMW-WUKNDPDISA-N 457.964 4.013 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)c(Br)c(Cl)c3)c2)CC1 1537424636 ZCJZPWWTVIKJOC-UHFFFAOYSA-N 454.727 4.162 10 10 JICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014175 OSGOUHIQAKTFIS-QHCPKHFHSA-N 494.551 4.232 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033250 VQDIUCNFMHCMHM-GAJHUEQPSA-N 488.588 4.001 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426081 NHMVADPADGRMNO-UHFFFAOYSA-N 451.530 4.252 10 10 JICE Cc1c(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc2c3c(c(=O)oc12)CCC3 1874016969 JFQNOBBBWKFXOZ-UHFFFAOYSA-N 479.488 4.383 10 10 JICE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccnc3)ncnc21 1875212730 FGUZHXHXGOEJPI-UHFFFAOYSA-N 499.619 4.210 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC4(CCCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2163000993 BJTIJUGHSXNGEB-UHFFFAOYSA-N 472.630 4.399 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 2293199807 GADMRFJECPELOO-UHFFFAOYSA-N 480.546 4.109 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 2296777119 JSRMMFQHUYGHMB-UHFFFAOYSA-N 463.471 4.085 10 10 JICE CC[C@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 2297345256 GEEPXAFOTHCDLC-ZDUSSCGKSA-N 483.619 4.229 10 10 JICE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 2297499680 UJNJRIWBMGRQOI-UHFFFAOYSA-N 475.574 4.125 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 2297511397 HVARKFFXFLPRFD-UHFFFAOYSA-N 452.580 4.197 10 10 JICE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(I)cc1 2313501916 NWSWDGZOLGTLCH-UHFFFAOYSA-N 497.339 4.470 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15049030 WMKMMMAVLUUEBM-GPLLRDDGSA-N 461.406 4.355 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1cccc(Br)c1 16401627 DPRDVKLYIYJISY-JOCHJYFZSA-N 470.323 4.100 10 10 JICE N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 33419960 WBEKNKOUGPQWGM-DWCAQMBTSA-N 488.550 4.122 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33458393 OMFLJBSTRMAYOV-CPNJWEJPSA-N 468.648 4.383 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33780906 PLDQDSCIBPWQNM-XMHGGMMESA-N 486.663 4.375 10 10 JICE CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)C1=O 103555512 BFLUXAAIWKQUEY-UYRXBGFRSA-N 451.910 4.164 10 10 JICE CC[C@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466337 QKFUOLPVDJTQPB-WNSKOXEYSA-N 466.493 4.111 10 10 JICE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cccc(Br)c1 1862354131 UNXVFSXEXFVUFK-UHFFFAOYSA-N 469.383 4.304 10 10 JICE CCC[C@@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867536648 JLOCNTSCXKGPDB-KAYWLYCHSA-N 494.680 4.393 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCOC)[C@H](C)C2)n1 1868274540 DQLMTEPTXVQIDP-KDURUIRLSA-N 499.615 4.103 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 1869223005 ZQLVRICJKHVEBS-SANMLTNESA-N 486.664 4.257 10 10 JICE COCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420754 UTLCUJDYKBLGET-UHFFFAOYSA-N 487.556 4.094 10 10 JICE COc1ccc(C(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874730177 PZTIDNNRQPJHEO-UHFFFAOYSA-N 474.557 4.318 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2079006443 YYDRQYDOCMHBKO-MRXNPFEDSA-N 465.335 4.042 10 10 JICE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 2296885538 ZDTGYHDIDJSAHZ-UHFFFAOYSA-N 466.540 4.032 10 10 JICE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 2297364189 CCNRDLRWIRKNLU-UHFFFAOYSA-N 474.420 4.096 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1cc(O)c(O)c(O)c1 2308895793 GANXNYRPSRVFSF-OHXAEJIZSA-N 473.481 4.200 10 10 JICE COc1cccc2c1OCC(C=C1SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 2314450540 BZTSGBVECXXRBW-UHFFFAOYSA-N 491.594 4.218 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1)C(=O)O 2314929619 PEQOXUNUAZHAII-QGZVFWFLSA-N 459.545 4.352 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 15047150 WNMSROCXWAFYOF-CYUIRQCWSA-N 458.536 4.231 10 10 JICE COC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 40937861 JDUIQWIDQFUTJR-HNENSFHCSA-N 472.975 4.021 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2cccs2)c1 1860503917 UFJMVSJIMOSLAF-UHFFFAOYSA-N 453.479 4.423 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862144015 GNKGSJQELISTOV-ZIGLLSCRSA-N 488.415 4.355 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010935 QNTJIRAUDOZGDQ-XMMPIXPASA-N 484.556 4.212 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016379 NNKNPBJGWVBBAJ-QFIPXVFZSA-N 486.572 4.200 10 10 JICE CN(C)c1ccc([C@H](NC(=O)Cc2ccc3cc(Br)ccc3n2)c2nccn2C)cc1 1866167611 YPALMJNDVJKVPN-QHCPKHFHSA-N 478.394 4.245 10 10 JICE CCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867837421 AKLZMLSUJGAAJK-DQEYMECFSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869066047 ZSCCSRKXSJGSNK-JOCHJYFZSA-N 487.648 4.406 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871568399 PEMQIXHJFKTWOH-UHFFFAOYSA-N 482.032 4.402 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(F)cc4)c3)CC2)cc1 1874719363 FBYYYFCQARBIQB-UHFFFAOYSA-N 475.564 4.411 10 10 JICE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C(C)C)C1=O 2296849571 VCNAHPJPHSEBJG-UHFFFAOYSA-N 453.545 4.105 10 10 JICE CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 2313526802 JSIDEWFCDRVSOP-UHFFFAOYSA-N 478.549 4.375 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1 2313557105 UBOSPTVBXRSDKQ-UHFFFAOYSA-N 463.534 4.141 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33458369 GHYOJAAVGCWVOB-OBGWFSINSA-N 483.640 4.474 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 59822526 AVJGFCHQWWGREE-CJAUYULYSA-N 479.602 4.167 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)CCc3cccs3)CC2)c(C)n1-c1ccc(F)cc1 62694702 HYZDNQGFXJXSHL-UHFFFAOYSA-N 453.583 4.254 10 10 JICE Cc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)c(C)n1-c1ccc(Br)cc1 248077212 HOCSMQFWVZLQAB-UHFFFAOYSA-N 464.367 4.426 10 10 JICE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1)C1CC1 1310820283 SYWCCYXKIUONSJ-CALCHBBNSA-N 454.546 4.276 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 1862169943 CVBNVYDZMHJWMY-VWLOTQADSA-N 493.648 4.020 10 10 JICE CCC[C@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309386 CWPONMFVZWRNDN-UIOOFZCWSA-N 480.653 4.003 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422275 OHHYMBQKAWEIDO-UHFFFAOYSA-N 470.573 4.039 10 10 JICE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2078992351 NIUKFBWEQWKPGH-KRWDZBQOSA-N 454.308 4.411 10 10 JICE Oc1c(Br)cc(Cl)cc1CNC[C@@]12CN(Cc3ccccc3)C[C@@H]1CCO2 2175204266 YTOYKFHSDYBVCA-LAUBAEHRSA-N 451.792 4.189 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2296881406 FQGAOUZLMHHXJR-UHFFFAOYSA-N 456.545 4.014 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314837177 PHPJQGWSTDVSAF-CYBMUJFWSA-N 457.533 4.222 10 10 JICE CCCN1CC2=C(NC(=S)N[C@H]2c2ccc(N(C)C)cc2)/C(=C\c2ccc(N(C)C)cc2)C1 3998781 QHBZEXGQUJFOQS-CCOQBKANSA-N 461.679 4.401 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 20236667 OMIIYEPUJIIHSF-ARNWESCTSA-N 455.829 4.157 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4cccn4CCCOc4ccccc4)C(=O)N=C3S2)CC1 20356738 TVFXNNCUPNQBPX-ZRAMOQLOSA-N 476.606 4.266 10 10 JICE O=C(O)COc1ccc(Br)cc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33305429 PRZMOAFDQMFXRY-GZTJUZNOSA-N 478.389 4.356 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33781106 SMRPPTQEXXZQJT-QGOAFFKASA-N 454.621 4.137 10 10 JICE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 34257505 UQPZIGZCGYEMGX-LWFDYCOSSA-N 450.589 4.479 10 10 JICE COc1ccc(N2CCN(c3c([N+](=O)[O-])c(=O)n(-c4ccccc4)c4ccccc34)CC2)cc1 38731928 DJTKJEHQIPCLGK-UHFFFAOYSA-N 456.502 4.234 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 526286899 NVLSJAOGEUOPCD-JOCHJYFZSA-N 492.553 4.445 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)[C@H](C)C1 1508236087 FYRKQKDUFIHJSB-HXUWFJFHSA-N 478.641 4.225 10 10 JICE CCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862280939 BPBJDRKTBZGUOX-DEOSSOPVSA-N 451.611 4.240 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CC(C)C)CC2)cc1 1870686306 FYWDSVVIWCKFJR-UHFFFAOYSA-N 475.633 4.457 10 10 JICE COc1ccc(CCN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166251 ITKTWRFOUMQFCA-AREMUKBSSA-N 499.611 4.194 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873169758 GFFNWZVLASNWEO-UHFFFAOYSA-N 481.637 4.395 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425701 BWVSTQKKRPCDFK-UHFFFAOYSA-N 469.520 4.391 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(C(C)(C)C)cc3)CC2)cc1 1873532393 KQFQWSJDFDGHNE-UHFFFAOYSA-N 469.589 4.413 10 10 JICE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1 2294623609 HQHFTXJZLVRYFO-UHFFFAOYSA-N 458.417 4.448 10 10 JICE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl 2297617305 XMXDTUGLJAYEMK-UHFFFAOYSA-N 459.070 4.059 10 10 JICE Cc1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1N1C(=O)c2ccc(Cl)cc2C1=O 3620092 MYQKJOPMSFNQJA-UHFFFAOYSA-N 484.946 4.255 10 10 JICE Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccccc2)cc1 11730656 RXFKGKPHWPSVJE-UHFFFAOYSA-N 455.337 4.112 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469105 KRVAYLSJLVDCIZ-JXQFQVJHSA-N 450.535 4.213 10 10 JICE COCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 32977708 YEKHCCIXYPXMOK-SANMLTNESA-N 484.604 4.298 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1 40844432 LBLOLASYDKBXHK-LZYBPNLTSA-N 469.371 4.313 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 102688322 GLDCVFIIBBZXEC-WFVLPUPGSA-N 486.663 4.010 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 213178518 BLKRLRMCQNTETI-AQTBWJFISA-N 495.582 4.170 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 1084510850 SFFMZPJKWNWSMQ-QBFSEMIESA-N 464.503 4.278 10 10 JICE Cn1c2c(c3cc(Cl)ccc31)C[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CC2 1858153410 FWSMTCRBCTUBAY-SFHVURJKSA-N 465.981 4.010 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1 1860871070 XGQMLJXAMPMUPI-UHFFFAOYSA-N 460.553 4.102 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864014462 VMLBDDWNSXBIOU-JOCHJYFZSA-N 482.625 4.436 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865033420 ZDUMRMKOPRFISJ-NRFANRHFSA-N 494.979 4.206 10 10 JICE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1873547187 LILHUDPPOJZXGH-UHFFFAOYSA-N 464.614 4.049 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2ccc(C)cc2O)c1I 2079035599 HJERJDLXIKPTAI-SECBINFHSA-N 468.213 4.307 10 10 JICE CN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCCN2C 2106862744 YJILAURWLVRCDA-DEOSSOPVSA-N 452.643 4.356 10 10 JICE COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 2294095238 MCPSIAFFFDDYTQ-UHFFFAOYSA-N 470.106 4.431 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1Cl 2296552124 INHGREOOVGNRMG-UHFFFAOYSA-N 496.903 4.061 10 10 JICE COc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc(I)c1O 2297349260 BBEZVFPIHQDTPJ-UHFFFAOYSA-N 497.379 4.449 10 10 JICE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 2297512847 DOZXGHRXRFPHEX-UHFFFAOYSA-N 486.484 4.427 10 10 JICE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2314509908 ZTDGULFOXZVAQL-UHFFFAOYSA-N 467.572 4.497 10 10 JICE Cc1cc(I)ccc1N=NN1CCN(Cc2ccc3c(c2)OCO3)CC1 2330234494 HXXWCJZDKIPOJA-UHFFFAOYSA-N 464.307 4.145 10 10 JICE Cn1cc(I)c(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1 2367502071 ALZZJYGJSOXMNR-UHFFFAOYSA-N 482.366 4.002 10 10 JICE COc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)cc1 27549575 CTGGLCIVIBYXHY-BJRGRWSZSA-N 464.547 4.428 10 10 JICE Cc1ccc(-n2nc(C)c(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 59858398 GMZGJHZXFARFGK-NDENLUEZSA-N 463.925 4.338 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4cccc(-c5ccccc5)c4)C3)CC2)cc1 1858382562 NNXVZCSIYWCWOS-RUZDIDTESA-N 469.585 4.173 10 10 JICE CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592744 WFQDFKHCWRWKGB-XXNJBDPSSA-N 450.763 4.263 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2nccs2)sc(C)c1-c1ccc(OCC)cc1 1860764826 HMJKBHXOSNVCEL-UHFFFAOYSA-N 459.549 4.333 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)c2)c1 1860844190 ASKQRWLLCXXVEE-UHFFFAOYSA-N 470.573 4.496 10 10 JICE CC[C@@](C)(NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232997 GKBAIVAPBHXOPO-AREMUKBSSA-N 488.028 4.141 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccccc4C)n3)CC2)cc1 1867959980 FCCHATWBTXQXIL-SZPZYZBQSA-N 473.621 4.401 10 10 JICE CCc1cc(=O)oc2c(C)c(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874178998 GUJMVPCKPDRDKC-UHFFFAOYSA-N 467.477 4.457 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079880687 PYTHPEYMUMMYIV-CYBMUJFWSA-N 451.255 4.357 10 10 JICE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNCc2cc(Cl)cc(Br)c2O)O1 2181158816 NFBDSIZQXLPMJA-IUODEOHRSA-N 463.800 4.312 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)c1 2297305797 QMFUTZQADJFLAD-UHFFFAOYSA-N 488.613 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)cc1 11796805 XKTOVZNTYMULES-UHFFFAOYSA-N 485.009 4.339 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478210 DTZDMFBWOQCKOQ-RCCKNPSSSA-N 480.659 4.338 10 10 JICE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2ccccc2s1 39793738 NLXHXZCUQMUOBD-YVLHZVERSA-N 471.585 4.153 10 10 JICE O=C(O)CCCC(=O)Nc1c(Cl)cc2c(c1Br)C(=O)c1ccccc1C2=O 39899503 VSDVYFFDPFYWLK-UHFFFAOYSA-N 450.672 4.071 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066675 DGFKAXHCIYZIEH-XTBHVRTMSA-N 470.595 4.316 10 10 JICE CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54311053 OIWZATGICRUDJJ-YKSBVNFPSA-N 472.651 4.078 10 10 JICE O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 59337213 KYDBCIYJIDCIPC-UHFFFAOYSA-N 454.070 4.099 10 10 JICE O=c1c2cc(I)ccc2nc(/C=C\c2c[nH]c3ccccc23)n1CCCO 96577100 HEJIXCJTLOSNHI-TWGQIWQCSA-N 471.298 4.035 10 10 JICE CCOCCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586618080 WVRXELKSBDJANS-UHFFFAOYSA-N 471.513 4.262 10 10 JICE CS(=O)(=O)Nc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 913098618 BOOAEDJYYZPLCW-OAQYLSRUSA-N 463.519 4.218 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 916102599 VIDDQTKZLPWGLR-UHFFFAOYSA-N 482.539 4.337 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 1084181073 KGFGJHNIKHNMBI-BKUYFWCQSA-N 475.570 4.251 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1084313380 LIHFHVXVNAEOFF-WJDWOHSUSA-N 451.435 4.134 10 10 JICE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1)C1CC1 1310820284 SYWCCYXKIUONSJ-IAGOWNOFSA-N 454.546 4.276 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5c(c4)OCCO5)c4ccccc34)[C@H]21 1860347555 WOWUCUAUYLYWSB-NDEPHWFRSA-N 494.551 4.198 10 10 JICE CCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862239607 DYBMMDSRUJEVPO-SANMLTNESA-N 459.590 4.486 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864011095 ZEUAYSBKNYENCF-UWJYYQICSA-N 456.587 4.182 10 10 JICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422010 BEHKCVJEAPQWLC-UHFFFAOYSA-N 454.530 4.407 10 10 JICE CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546375 MZJYYDVPHVHRHD-UHFFFAOYSA-N 484.604 4.059 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 2297364296 OMNORKTZSVTDOB-UHFFFAOYSA-N 470.481 4.279 10 10 JICE CCN(CC)c1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 2323809144 AKOQLAHPLOSSJZ-IBGZPJMESA-N 456.589 4.136 10 10 JICE CC(C)c1ccc(C(=O)CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944936 NEKHMFQLDKDUIT-UHFFFAOYSA-N 494.594 4.086 10 10 JICE CCOc1cc(Br)c(Br)c(/C=C2/SC(=S)N(C)C2=O)c1O 975340 DQKURDHGRSLBEU-RUDMXATFSA-N 453.177 4.147 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)C(=O)N=C3S2)CC1 20356707 GXGPFJIPRZNRKG-OLOAGALHSA-N 464.507 4.163 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 39885902 MEWCDLJKKMSRJV-LUAWRHEFSA-N 456.665 4.332 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)/C=C/c3ccc(Cl)cc3)C2=O)c1 62060200 AQRUVARBRPLLCG-AOEVHAJLSA-N 458.992 4.379 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413130 MXGJVUYMRSVKMH-GEBKJHSDSA-N 499.390 4.060 10 10 JICE O=C1C[C@H](N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 101974026 KMHUCBFWVRYDJC-HVVQPJKBSA-N 480.464 4.378 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 206851299 KUXMVHIOVJFATB-HMMYKYKNSA-N 457.573 4.383 10 10 JICE O=C(c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21)N1CCOCC1 226727837 IXXNHMYMMNQSPZ-YHEJKZAPSA-N 455.352 4.454 10 10 JICE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)c1C 1084492448 RAPCPNPMUUUHIT-ZROIWOOFSA-N 478.140 4.495 10 10 JICE CC(=O)N1CCC(Cn2c(N(C)Cc3ccc(N4CCCC4)cc3)nnc2C(C)(C)C)CC1 1286857611 YNDKRKZDRLMBBE-UHFFFAOYSA-N 452.647 4.071 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCSc1nccs1 1705491037 WLZWPGCGZCGISY-QGZVFWFLSA-N 493.662 4.162 10 10 JICE COc1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc(Br)c1O 1858594412 YLCRPLBFMBHNOD-DWKHYPNZSA-N 494.388 4.060 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864021966 SGAVTJAFBSLALD-HSZRJFAPSA-N 490.604 4.141 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867774351 CRIVFJVQFVTIIA-IZZNHLLZSA-N 464.654 4.385 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527578 PSUHYMXYWMQYCF-UHFFFAOYSA-N 475.641 4.447 10 10 JICE COc1cc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)ccc1O 2040422172 OHYGCHIPELOLBY-UHFFFAOYSA-N 463.486 4.019 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228353 MXGJVUYMRSVKMH-SFHVURJKSA-N 499.390 4.060 10 10 JICE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 2296885183 HLEALHVANBIWGQ-OAHLLOKOSA-N 465.600 4.125 10 10 JICE CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)o1 2297332451 BQNYUDOJXQJTKD-UHFFFAOYSA-N 474.469 4.188 10 10 JICE N=C1C(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N=C2SC(c3ccco3)=NN12 2297358664 CGQDULVAFWOAQM-UHFFFAOYSA-N 473.470 4.434 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4Cl)C3=O)c2C)cc1 2297366642 MTZXCVZGLMIYAT-UHFFFAOYSA-N 491.931 4.196 10 10 JICE COc1cc(OC)c(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc1Br 2297559750 FXGKQSSBAHMLFV-UHFFFAOYSA-N 451.367 4.263 10 10 JICE CC[C@](C)(NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330110763 FLIKXPVXPPIIBM-SANMLTNESA-N 470.013 4.386 10 10 JICE CCc1ccc(C(C)=CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2332077851 XEQJYUZPTWYQLL-UHFFFAOYSA-N 452.510 4.183 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/Nc1ccc(Br)cc1 13131787 ORHZKQGHRQVLCK-XYOKQWHBSA-N 471.163 4.500 10 10 JICE O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O 39910111 DMNHHCSRXZPUIH-BOPFTXTBSA-N 469.993 4.008 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2ccncc2)cc1 1858901024 APYWARBEEJFFSM-UHFFFAOYSA-N 477.476 4.398 10 10 JICE CC[C@@H](C)NC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870957061 PPWSWUAGUWKOQS-HXUWFJFHSA-N 478.593 4.144 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2ccc(Br)cc2O)C1 2025252336 SAADVCPMYYRXRO-OAQYLSRUSA-N 490.442 4.366 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2180961423 GBCZVQZKSJDHHR-NRFANRHFSA-N 470.618 4.485 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC(F)(F)C1 2184235040 UOHZDAIPQPYYTG-HNNXBMFYSA-N 482.572 4.301 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(O)cc1 2293772136 CHZNHEKKRJVNDB-UHFFFAOYSA-N 451.935 4.284 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)ccc1O 2294728327 MYWVJQRWDFGGBM-UHFFFAOYSA-N 472.147 4.293 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 2296412368 KMCLBAIBCIRTCJ-UHFFFAOYSA-N 459.296 4.361 10 10 JICE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2297073786 MDOIDYPHLFNBQG-UHFFFAOYSA-N 467.510 4.277 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297307673 OLYDYMCMZWTLGX-UHFFFAOYSA-N 480.449 4.157 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1 2297344535 IEMVMUGHDXSWFT-UHFFFAOYSA-N 460.461 4.470 10 10 JICE CC[C@@H](C)c1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1 2297345255 GEEPXAFOTHCDLC-CYBMUJFWSA-N 483.619 4.229 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2314413940 LYFOMRJXWGRZOX-CQSZACIVSA-N 454.577 4.208 10 10 JICE CCC(=CC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329524843 LMYPRBHPJGFGGH-NDEPHWFRSA-N 479.621 4.131 10 10 JICE CC(C)(C)OC(=O)N[C@@]1(C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(F)F 2361995078 CKKARPXVEJVQMS-QHCPKHFHSA-N 482.572 4.301 10 10 JICE Cn1cc(/C=C\c2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc21 34888863 CUOBXPQQHXHBKA-YFHOEESVSA-N 485.325 4.046 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCCCC2)SC1=S 39990196 UHYWRYLRUHYAEU-RGEXLXHISA-N 458.653 4.430 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OC(C)C 40937778 WKHQIVTWDCWJSL-ZROIWOOFSA-N 474.398 4.311 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2c(C)cc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 54310887 BFJHASASSTZGJD-DEOSSOPVSA-N 472.651 4.053 10 10 JICE COc1cc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)ccc1O 96466874 OHYGCHIPELOLBY-UITAMQMPSA-N 463.486 4.019 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2)c1 104371922 MMWYXXMZCVJLIT-VKGGKSIRSA-N 468.560 4.093 10 10 JICE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705685559 CMOJAHCJHMDBJE-LJQANCHMSA-N 460.420 4.317 10 10 JICE COc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3nnc(C4=S=CC=C4)s3)oc2c1 1859762226 MRTGUMSJNMXNFJ-UHFFFAOYSA-N 491.550 4.207 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008416 KAUUJTYFEROGEV-NRFANRHFSA-N 482.968 4.246 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)N2CCCCC2)cc1 1865872602 MCIIWMBRSDZPLB-JOCHJYFZSA-N 477.436 4.133 10 10 JICE COc1ccc([C@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866981922 ZVIGJYYWBVSHCV-MZNJEOGPSA-N 484.552 4.354 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)c(C)c4)n(C(C)(C)C)n3)CC2)cc1 1869970484 KPOLIQJIEQCEJR-UHFFFAOYSA-N 476.625 4.166 10 10 JICE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425561 FURAOIJEYOZEDQ-UHFFFAOYSA-N 498.627 4.317 10 10 JICE CC(C)OCCCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1874016618 HMBKTNVHGANYNH-UHFFFAOYSA-N 496.519 4.125 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)cc1C 2313548289 RDWQNIIZBQXNMP-UHFFFAOYSA-N 462.937 4.485 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2314507882 LZNXBRAYJRYCGY-QGZVFWFLSA-N 493.610 4.484 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314827411 DKOHYQBPFVOORV-UHFFFAOYSA-N 468.600 4.316 10 10 JICE C[C@@H](C[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2335651955 HBJVPNUXZPBYEI-PXNSSMCTSA-N 462.635 4.095 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccc(OC)c3)CC2)cc1 16891168 VHLNMSMXCYKFCV-UQBPGWFLSA-N 465.619 4.447 10 10 JICE CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 33934367 YIPZIGIXNVQXOI-WOJGMQOQSA-N 457.533 4.093 10 10 JICE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 39909761 RURLBUZFOHTNIX-RGEXLXHISA-N 459.614 4.285 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 210696513 RNUCFEAMKCQQGM-LZYBPNLTSA-N 468.478 4.347 10 10 JICE COc1ccc2cc(CCNC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)[nH]c2c1 606618896 PCJYSQJPWVHJIY-UYRXBGFRSA-N 471.629 4.188 10 10 JICE Cc1cc(CCNC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)n1-c1ccccc1 789918306 XMTHKSPJDMHOIA-UHFFFAOYSA-N 460.578 4.403 10 10 JICE Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 1084037536 GMZGJHZXFARFGK-UDWIEESQSA-N 463.925 4.338 10 10 JICE CC(=O)c1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ccc1Br 1653706139 WRLNJFBNPRNYPN-UHFFFAOYSA-N 453.402 4.317 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(F)c(F)c4F)CC3)ccc21 1860596783 QXHKOPFUWRIXML-UHFFFAOYSA-N 492.453 4.370 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861906483 UXMAPCGXSFEVHM-VWLOTQADSA-N 491.657 4.357 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864009073 YTZAIDLIYYAOKU-QFIPXVFZSA-N 494.979 4.389 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864022761 QNHKTIWIQWPWDZ-MRXNPFEDSA-N 482.503 4.114 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccccc1Cl 1865679510 QMLUPXXIVKVWDA-XFFZJAGNSA-N 453.760 4.368 10 10 JICE COc1cccc([C@@H](C)CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867107905 SBHQGEAFHSHTQY-DLBZAZTESA-N 470.525 4.108 10 10 JICE CCNC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972952 ZVUQSZUQCUGKGZ-UHFFFAOYSA-N 491.636 4.061 10 10 JICE CC(C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1cnc2ccccc2c1=O 1874178987 FZPWDRVBGILXJN-QHCPKHFHSA-N 451.482 4.008 10 10 JICE CCN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2C 2106859184 GIVKDWTUSNYJBN-DEOSSOPVSA-N 452.643 4.356 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)C12CCCC2 2194919472 XSVFNFGKPXLFGA-SANMLTNESA-N 474.646 4.409 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(C)cc3OC)C2=O)cc1 2293500029 FOSFQBFDRQDPDZ-UHFFFAOYSA-N 473.529 4.113 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C)c1 2313557642 IGHARHFLCHBNDY-UHFFFAOYSA-N 460.461 4.388 10 10 JICE CCN(CC)c1ccc(CN(C(=O)C=Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 2314508632 VWQMHTSSQDLVON-QFIPXVFZSA-N 461.027 4.415 10 10 JICE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314760368 NCOZIHHISQAHMC-HNNXBMFYSA-N 450.335 4.182 10 10 JICE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314837308 QTJYNOZGYAXUFV-JTQLQIEISA-N 468.478 4.345 10 10 JICE Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc(N3CCOCC3)cc2)C1=O 2321734535 VMGKONPNDOQVLG-UHFFFAOYSA-N 456.618 4.255 10 10 JICE COCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 32977710 YEKHCCIXYPXMOK-AREMUKBSSA-N 484.604 4.298 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)n1-c1ccccc1 62694095 JSSDLMQXELOJCY-UHFFFAOYSA-N 480.406 4.497 10 10 JICE COC(=O)C1=CN(c2ccc(Br)c(C)c2)c2cc(Br)ccc2S1(=O)=O 64979281 VOSOTAIRKCCQFB-UHFFFAOYSA-N 487.169 4.460 10 10 JICE COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298221 WQYYOTPAIBYHBP-HXUWFJFHSA-N 472.383 4.026 10 10 JICE biogenic CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 206724120 JQKLVJKVMPTMTH-SILNSSARSA-N 492.663 4.259 10 10 JICE CCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 213201723 PKSDPDILILKGBS-AQTBWJFISA-N 467.572 4.415 10 10 JICE COc1ccc(NC(=O)CSCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 746426851 RGNYINNQBRXUCQ-UHFFFAOYSA-N 451.592 4.133 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)sc(C)c1-c1ccc(F)cc1 829988753 BOKCTENMARRECF-IVZQSRNASA-N 462.568 4.432 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2 1859572768 GUJUZIPJGPWIFX-UHFFFAOYSA-N 478.939 4.366 10 10 JICE CC(C)OC(=O)c1cccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c1 1860714939 DSZLZRKIGWIBSG-UHFFFAOYSA-N 469.763 4.492 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](Cc5ccccc5)COCC4(C)C)nc(C)n3)CC2)cc1 1869282109 AODNJPDPBWJSAW-RUZDIDTESA-N 487.648 4.347 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(C3CC3)C2=O)cc1 1873422214 LTGGAUZDEGHJDH-UHFFFAOYSA-N 482.584 4.285 10 10 JICE CN1CCc2cc([C@H](O)[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 2058200281 VIUYVGUEXADLGC-LBNVMWSVSA-N 472.541 4.094 10 10 JICE COc1ccc([C@@H](n2nc(C3CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080001395 IENPQPOKZXGZEB-MRXNPFEDSA-N 470.307 4.413 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2294229117 WHEBRZDZFFQGHS-UHFFFAOYSA-N 480.933 4.487 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 2296538538 WNZDDVZRNRDIDD-UHFFFAOYSA-N 495.626 4.442 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1cccnc1 2296881545 NTNBKRIZMWVXRJ-UHFFFAOYSA-N 462.394 4.464 10 10 JICE CC(C)OC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945410 MKLQPXZKYHKSHU-CQSZACIVSA-N 460.577 4.220 10 10 JICE CN(CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)S(=O)(=O)c1cccs1 10911922 BUXNBPFPKTWJMR-XMMPIXPASA-N 466.584 4.133 10 10 JICE O=C(O)CCNC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15038418 XMBOXZIDFFRQSE-ZHZULCJRSA-N 464.568 4.175 10 10 JICE CCOc1ccccc1N1C(=O)/C(=C\c2ccc(OCCC(=O)O)c(OC)c2)SC1=S 16911904 OVRQJOZLEOGWCS-CPNJWEJPSA-N 459.545 4.353 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(F)cc3Cl)c3ccco3)CC2)cc1 38598148 AXSGBJNSAXNLJB-JOCHJYFZSA-N 457.933 4.374 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 39874955 FCWUYFOGDWPEOD-PXNMLYILSA-N 459.549 4.284 10 10 JICE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4cccc5ccccc45)c3O)C2=O)c1 101123093 CGIAAJBEEGFIGY-STZFKDTASA-N 452.470 4.014 10 10 JICE COCCCN1C(=O)/C(=C\c2ccc(O[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc2)SC1=S 102617845 OFUMYCOWTTZZHM-DKGMDFAASA-N 497.853 4.136 10 10 JICE COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1OC 103704150 RDQFSQCGSCMJSF-GPEOJJCYSA-N 465.531 4.329 10 10 JICE O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc(N2CCOCC2)cc1 108872497 OIDVURKAEJZQBH-JLHYYAGUSA-N 465.557 4.101 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 210718607 ZFGHICAUBAXGDA-CPNJWEJPSA-N 458.561 4.117 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 526513538 ZYKVPSXORUMNOK-VWLOTQADSA-N 490.512 4.439 10 10 JICE CCCCS(=O)(=O)N(Cc1ccc(C(=O)O)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189664 OIRPDGIZOQVSDM-UHFFFAOYSA-N 477.538 4.297 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084511581 NOZBIYAIDTWWLX-GRSHGNNSSA-N 481.867 4.251 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCC(C)C)[C@H](C)C1 1741040453 BBECNTHRUFPJBF-JOCHJYFZSA-N 492.668 4.472 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4CC)c(C)s2)cc1 1859574021 JQUMDOTUWVTPCR-UHFFFAOYSA-N 457.577 4.227 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862264642 SRDXGNPPXPUSRZ-AREMUKBSSA-N 474.605 4.123 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(F)cccc3Cl)c3ccccc3)CC2)cc1 1862303549 MUEGUUMRSZLLEU-DEOSSOPVSA-N 481.955 4.308 10 10 JICE CC(C)[C@@H](C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866965762 OHQCKXCVSLMFJI-WAIKUNEKSA-N 472.516 4.484 10 10 JICE Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1867260318 XHVGPNAXKIQSGN-VWLOTQADSA-N 492.531 4.272 10 10 JICE CC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996874 ARUZEPVXUTYYPR-FDDCHVKYSA-N 458.002 4.086 10 10 JICE CCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870619890 XGBOPWGPWDVTBN-UHFFFAOYSA-N 461.606 4.477 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873169756 GEVZRJNAAJYACP-UHFFFAOYSA-N 494.680 4.312 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 2296880039 RRBARMWDGURSTE-UHFFFAOYSA-N 466.943 4.336 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)c([N+](=O)[O-])c1 2313549474 XHWJALZNHWZRIT-UHFFFAOYSA-N 461.430 4.147 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@](=O)c4cccc(Cl)c4)o3)CC2)cc1 9115414 ODVNQAKCHINRND-WJOKGBTCSA-N 458.967 4.212 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(N(C)C)cc1 9778225 TWTGJYUQHDJXPP-GOTSBHOMSA-N 459.933 4.467 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 15008497 DOZXGHRXRFPHEX-XKZIYDEJSA-N 486.484 4.427 10 10 JICE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238794 WEWXOPNGSLBXHH-CLGIPHTBSA-N 463.431 4.124 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(C)n1-c1ccccc1 62694139 BXRLCLPVRBYGBY-UHFFFAOYSA-N 454.574 4.145 10 10 JICE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C1=O 210727481 DDYMSRQZQMZURG-WFTRPWEDSA-N 460.621 4.376 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc4oc(=O)c5c(c4cc3Cl)CCCC5)CC2)cc1 1860269911 KCWBNYJWGIPULW-QGZVFWFLSA-N 496.991 4.450 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034897 HJZFZSDJLVTALG-OAQYLSRUSA-N 496.995 4.121 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)CC2)cc1 1866307646 YUFATYHSJYBOPB-UHFFFAOYSA-N 475.932 4.112 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](C)c3cccc(Cl)c3)C(C)C)CC2)cc1 1868996077 ZGJHFIFVLQCWJJ-CLOONOSVSA-N 472.029 4.332 10 10 JICE CCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870562435 GJBIMTJFNHJKAR-UHFFFAOYSA-N 480.609 4.163 10 10 JICE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1892081969 GXVZQOTYVMSRJC-UHFFFAOYSA-N 469.548 4.381 10 10 JICE Cc1nn(Cc2cc(Br)ccc2O)c(I)c1C(F)(F)F 2079673343 SWVDXGNMPONWGW-UHFFFAOYSA-N 461.019 4.331 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079873094 KCQULFQGQZMZLE-CQSZACIVSA-N 484.256 4.349 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079958454 VHOFGTQRHOMOQR-INIZCTEOSA-N 472.323 4.323 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2106813361 BYANLNSBGVIACZ-UHFFFAOYSA-N 458.603 4.009 10 10 JICE Cn1nc(CNCc2cc(Cl)cc(Br)c2O)c(I)c1Cl 2174384316 QTQYVPUGGFXESI-UHFFFAOYSA-N 490.954 4.089 10 10 JICE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2c(O)ccc3ccccc23)C1 2287636963 PQALSOPXBGXDSE-UHFFFAOYSA-N 471.598 4.491 10 10 JICE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 2297317094 UBBNPPHUVHTEBH-UHFFFAOYSA-N 479.514 4.178 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O[C@H](C)CC 2313556801 LHXWMCGNJYPVCU-CYBMUJFWSA-N 486.908 4.311 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1[N+](=O)[O-] 2313559398 XSAQQXIOHVQHEM-UHFFFAOYSA-N 478.505 4.281 10 10 JICE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314400965 SIXMHEDKUXEUDJ-UHFFFAOYSA-N 480.590 4.144 10 10 JICE Cc1ccc(C=C2SC(=S)N(CCCC(=O)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2314600213 RURLBUZFOHTNIX-UHFFFAOYSA-N 459.614 4.285 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 2314827461 FOBFLKWMWRYWTM-UHFFFAOYSA-N 498.504 4.268 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccccc3F)C2=O)cc1 2318683893 KRTJCYSRAVRQLP-UHFFFAOYSA-N 458.580 4.474 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(C)cc3)N3Cc4ccccc4C3=O)CC2)cc1 15721605 QGGVDWPTJSGWNH-HHHXNRCGSA-N 469.585 4.440 10 10 JICE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c1C 20356727 SAMGONACIUMBPO-SVKNRIHUSA-N 476.606 4.411 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O 33373208 FHKYJLKQZPKZEQ-MHWRWJLKSA-N 479.377 4.100 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCCC2)SC1=S 39989896 JPPNYGDXFYINSE-JPVKTXQWSA-N 458.653 4.428 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3cc4c(s3)-c3ccsc3CC4)CC2)cc1 63668470 QAIXYUMGXSFKDA-UHFFFAOYSA-N 453.633 4.136 10 10 JICE Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)c(C)n1-c1ccc(Br)cc1 108612987 SSKXOJVNDSHVMV-UHFFFAOYSA-N 450.340 4.367 10 10 JICE COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 1083905483 ALVNQXZVJCQLKU-WQRHYEAKSA-N 461.430 4.147 10 10 JICE CC(=O)N[C@H](Nc1ccccc1N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1088697626 ZKBHJYKMJVLCNA-VXGBXAGGSA-N 485.026 4.175 10 10 JICE CC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCSc2nccs2)CC1 1741035505 GYXBCGUMUOLUQN-UHFFFAOYSA-N 491.086 4.220 10 10 JICE O=C1c2ccccc2C(=O)c2c(N=c3nc(-c4ccc(Cl)cc4)[nH]cc3C(=O)O)cccc21 1859833007 XHNCSQHKJJOBIF-UHFFFAOYSA-N 455.857 4.436 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860651077 JPHHMZCHDHYGPD-PMACEKPBSA-N 484.618 4.483 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4ccc(F)cc4)c3=O)cccc21 1861857953 XXAOIJRYUWNKPN-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CCC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868841451 FURXDDADWIAKDN-CLJLJLNGSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCC3)n4Cc3ccccc3)CC2)cc1 1873555242 QHIWCTZNTCWVRS-UHFFFAOYSA-N 496.615 4.051 10 10 JICE CC(C)C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179539 JAEBWPGOCTVLEC-QHCPKHFHSA-N 452.510 4.471 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccccc4F)cc3)CC2)cc1 1874744243 YQBXXTHUDPSRIM-UHFFFAOYSA-N 462.521 4.449 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352640 IRDBJOWAFCFDKV-UHFFFAOYSA-N 490.545 4.236 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 2314414786 MFLOREUEUNFIRV-UHFFFAOYSA-N 474.652 4.233 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314761499 UXEBQXQXBDJRGE-UHFFFAOYSA-N 488.425 4.488 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2532965 SNIYLWDZPDOHMP-QZQOTICOSA-N 465.600 4.270 10 10 JICE COc1ccc(CCn2c(SCC(=O)c3ccc(O)c(O)c3)nc3ccsc3c2=O)cc1OC 2909251 LKZHDUMTLOJEJL-UHFFFAOYSA-N 498.582 4.104 10 10 JICE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2990611 SVNQTRAVBZYHNQ-MHWRWJLKSA-N 470.865 4.269 10 10 JICE Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc12 3650122 IPNOFLLFRZWSJC-XBXARRHUSA-N 494.555 4.040 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5c(C)cc(C)cc5s4)C3)CC2)cc1 9848322 BOIGPDFWYCGGET-HXUWFJFHSA-N 464.635 4.487 10 10 JICE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)cc2)o1 206725628 IFEYVMYGSQYROC-CPNJWEJPSA-N 464.572 4.199 10 10 JICE C[C@@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586713230 VIVVTOPOWZZERR-IAGOWNOFSA-N 483.524 4.355 10 10 JICE CN(C)C(=O)Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917637492 HHUULVSWEHNLHO-HSZRJFAPSA-N 455.518 4.477 10 10 JICE CC(=O)N1CCN(c2ccccc2CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 1544869703 BERVVHLBNBEEOG-UHFFFAOYSA-N 458.606 4.309 10 10 JICE CCOC(=O)C(C)(C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858863754 WSUFJLIOLYKHTJ-UHFFFAOYSA-N 473.485 4.222 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017698 RYFDPTJBAZJNPP-HSZRJFAPSA-N 488.588 4.380 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028057 OLUNFKAKCMKQIZ-MZNJEOGPSA-N 488.588 4.055 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(C(C)(C)C)c3)CC2)cc1 1873534885 ZNHCUGQQELHGNH-UHFFFAOYSA-N 469.589 4.413 10 10 JICE CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1875214342 OTNCPHWLTYGQAX-UHFFFAOYSA-N 484.604 4.273 10 10 JICE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2053515573 APEVOHBMQMZZBC-UHFFFAOYSA-N 456.637 4.096 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2296724056 AXYHEQTXXQPTEF-KRWDZBQOSA-N 479.583 4.175 10 10 JICE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC 2296880036 ROXHSYPFRUHDAL-UHFFFAOYSA-N 472.588 4.251 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 2314647608 FPBMBMDSNLNNFA-UHFFFAOYSA-N 477.611 4.481 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)C(c1ccccc1)c1ccccc1 2314722530 GWDGVUSRZSLAMH-UHFFFAOYSA-N 474.563 4.480 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 2533747 ZHUNROCEGYWSAQ-QURGRASLSA-N 489.578 4.345 10 10 JICE Cc1cc(CCNC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(C)n1-c1ccccc1 11085384 AWYIVNOYVHEGGD-UHFFFAOYSA-N 492.670 4.473 10 10 JICE O=C(CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 15035773 MBVSUDGXTPQLCZ-NVNXTCNLSA-N 467.450 4.454 10 10 JICE CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 38940528 KWTJTBLYXAKYCQ-DEOSSOPVSA-N 493.604 4.379 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 59382240 AMNLXNSSYVXKKT-XDHOZWIPSA-N 488.587 4.160 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nccnc4Sc4ccccc4)CC3)CC2)cc1 65102659 XTMCONGONKTROI-UHFFFAOYSA-N 489.645 4.202 10 10 JICE CCN(CC)c1ccc(CN(CC2CC2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 85422688 AMQLBRCECTVNDE-UHFFFAOYSA-N 462.587 4.453 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C)ccc2C(=O)O)C1=O 210494567 IVYXWCGXOABFSN-FLZPNWGKSA-N 452.557 4.479 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 211941267 ZDPGDOROYLNGEP-QALXIQJFSA-N 474.648 4.235 10 10 JICE O=C(Nc1cccc(C(=O)NCc2ccncc2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586704624 PTMYZCISGVFFDO-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CCNC(=O)COc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917632339 AODJXBSXBWSJJV-QHCPKHFHSA-N 471.517 4.361 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858590308 JFAAWEMNOIKKFJ-XXNJBDPSSA-N 482.830 4.216 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1 1868907671 OCAXJSTZPGOJPJ-HXUWFJFHSA-N 482.584 4.311 10 10 JICE CC(C)CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871264489 AOFZRUJZLQIILA-UHFFFAOYSA-N 492.620 4.128 10 10 JICE O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017907 YECGJAICPWJAMC-QFIPXVFZSA-N 489.487 4.069 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 2296885349 QFSZYAOCIDYUFJ-UHFFFAOYSA-N 456.932 4.286 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)Cc4ccccc4)C3=O)o2)cc1 2314482784 VQBJCWAUCMRIJG-UHFFFAOYSA-N 499.595 4.300 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C/NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 12632400 SHQOBSHXLWPFNZ-IQSYYFJKSA-N 466.950 4.273 10 10 JICE Cc1nc2c(C(=O)N3CCc4ccccc4C3)cnn2c(O)c1Cc1ccc(F)cc1Cl 20136962 WJWMDZNEEDXLMV-UHFFFAOYSA-N 450.901 4.325 10 10 JICE CCOCCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 20857835 NPNVQFMPEYWTEL-UHFFFAOYSA-N 463.534 4.221 10 10 JICE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 33563424 KWKFNKFIGHGEDZ-LDADJPATSA-N 467.572 4.353 10 10 JICE CCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 33594956 CCHAEAOENKUFSI-QGOAFFKASA-N 450.589 4.226 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152227 NTLTZQUUXGRHKR-RGEXLXHISA-N 499.570 4.392 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 54310966 RATIXQPAJAKISZ-URXFXBBRSA-N 472.651 4.133 10 10 JICE CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 731356022 OKDOVOHLGXSIHT-NJYVYQBISA-N 471.617 4.017 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC[C@H]1CCOC1 1705479728 OHCPEPMQMANIEM-NFBKMPQASA-N 461.610 4.254 10 10 JICE Cc1ccc(OCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860511294 QZCRFEUHJVPJAY-UHFFFAOYSA-N 491.503 4.435 10 10 JICE CNC(=S)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860667892 NYAZGQXCPBDJPD-KRWDZBQOSA-N 459.637 4.282 10 10 JICE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 1865675696 VVTFYWGKCDUVFU-HAVVHWLPSA-N 493.604 4.381 10 10 JICE CCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867674261 ZAUMIZDRANOZEL-XNMGPUDCSA-N 489.664 4.476 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867808343 WUQPKXOGRYOPPQ-NRFANRHFSA-N 490.570 4.022 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867964078 MGNIWWDUVSAKSY-UHFFFAOYSA-N 486.664 4.318 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168728 HNHQAJHESDSMJV-UHFFFAOYSA-N 477.630 4.493 10 10 JICE COc1ccc(O)c([C@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2140776292 IQPUTIYSZDQEJK-INIZCTEOSA-N 467.607 4.250 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296846515 SXFCQGSABLNLGL-INIZCTEOSA-N 474.652 4.230 10 10 JICE Cc1cc(-c2ccc(C=C3C(=O)NC(=S)N(Cc4ccco4)C3=O)o2)ccc1Br 2297365105 PYIOKGHDJPEGHM-UHFFFAOYSA-N 471.332 4.437 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)s1 2314578628 WMINKQVSQGHIAR-UHFFFAOYSA-N 450.636 4.270 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314827625 JBBIVSNOBUYXRR-UHFFFAOYSA-N 465.556 4.185 10 10 JICE CCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 2323866124 SSJZFABYKDOEIF-KRWDZBQOSA-N 457.573 4.381 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11857485 MNFBMNFAZZHSHL-UHFFFAOYSA-N 480.365 4.013 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 39835789 XCRUHGZTFADHQV-XMHGGMMESA-N 481.599 4.341 10 10 JICE CCO[C@@H]1[C@@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(OC)ccc1O)CC2 207824358 GGMBAHBKNCAUNV-IZZNHLLZSA-N 476.573 4.417 10 10 JICE Cc1cccc2cc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCOCC3)nc12 208279226 UIMRASAHYZVGSR-CPNJWEJPSA-N 451.573 4.374 10 10 JICE O=C1C(O)=C(c2cccs2)[C@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526501881 QVJILFFVLQBXIM-QFIPXVFZSA-N 450.516 4.053 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705895696 PLTHZPIDNOMLFP-MUUNZHRXSA-N 490.652 4.296 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 1858587476 DLSZGVUGRWRJRS-KGENOOAVSA-N 470.616 4.344 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)cc1 1861915090 YKXXNQVZFTVAAY-DEOSSOPVSA-N 463.965 4.169 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(C)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969679 IQZCWPSIXOZGJE-UHFFFAOYSA-N 482.588 4.472 10 10 JICE CC(C)OCCOc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870990197 GNGARBFSEQHODB-UHFFFAOYSA-N 451.567 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4F)n3)CC2)cc1 1871335875 FAVRXXIEYRQWFX-UHFFFAOYSA-N 457.509 4.044 10 10 JICE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873165441 OODBYHMORULBKL-UHFFFAOYSA-N 471.557 4.159 10 10 JICE O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2295894340 NQZKHTUEPCHBHG-CYBMUJFWSA-N 473.519 4.354 10 10 JICE CCOCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S 2296716283 XKFHZNXYXAXJLP-UHFFFAOYSA-N 456.564 4.371 10 10 JICE COC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2297306432 MOLLXSMTERMVLH-UHFFFAOYSA-N 463.964 4.302 10 10 JICE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 2313549190 PLUFFTDGSRMDAR-UHFFFAOYSA-N 473.323 4.221 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Cl)c1O 2313549548 ZCZPVFCYTRKADJ-UHFFFAOYSA-N 479.714 4.100 10 10 JICE CCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 2323812655 PQKJNGZRVFLQJR-QGZVFWFLSA-N 473.572 4.087 10 10 JICE O=C(O)c1ccc(COc2ccccc2/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1 33456700 JPHSLCXHQAJFPD-UDWIEESQSA-N 487.424 4.379 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 526527903 RIUIECDLQQSFPG-HSZRJFAPSA-N 461.470 4.340 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864016533 ROZRWZOAJYYAQH-HXUWFJFHSA-N 488.569 4.054 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029901 YBHMFMGMLARYSG-HXOBKFHXSA-N 488.588 4.189 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034896 HJZFZSDJLVTALG-NRFANRHFSA-N 496.995 4.121 10 10 JICE CCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659341 ZLYPNHHHAHQLGL-UHFFFAOYSA-N 477.605 4.025 10 10 JICE CN(CC1(CO)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2229901737 DOYLCAQCIRLDCY-UHFFFAOYSA-N 463.619 4.157 10 10 JICE Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 2297362929 PKVPMKHMXYTUDA-UHFFFAOYSA-N 483.524 4.296 10 10 JICE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccc(C)cc1 2313545700 RTXAMYWWRMKIAR-UHFFFAOYSA-N 477.498 4.477 10 10 JICE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2314509724 XUKHLUWYMRKVQM-UHFFFAOYSA-N 495.582 4.170 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 27531827 ZLCREGOGIPHKBX-FYJGNVAPSA-N 494.931 4.276 10 10 JICE COc1cc(/C=C2/SC(=S)N(CC(=O)OC(C)C)C2=O)ccc1OCc1ccccc1 33332503 MYFRPTXTHODYFX-UDWIEESQSA-N 457.573 4.427 10 10 JICE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C=O)cc2OC)c2ccccn2)cc1 54120919 OGMDOZPWWOSDTR-DEOSSOPVSA-N 463.578 4.195 10 10 JICE O=C1C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 101973913 USMIHXAVMHTUKK-HEUOVEHFSA-N 462.474 4.239 10 10 JICE COC[C@]1(CNCc2cc(Cl)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 708111885 YBJBXEKXVANAJZ-LJQANCHMSA-N 463.800 4.314 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Br)cnc1O 920351329 GMPAJVGZEOMSCK-JYRVWZFOSA-N 484.422 4.231 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)CC1 1596091257 FPGBVDCPGHIHOM-UHFFFAOYSA-N 470.568 4.457 10 10 JICE CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccn2)cc1 1862361188 YRDNBVXTTMIGAZ-UHFFFAOYSA-N 483.572 4.304 10 10 JICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014411 UNSBBMLDZAGOLA-QHCPKHFHSA-N 496.567 4.478 10 10 JICE COc1cc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)ccc1OCCN1CCOCC1 1865665779 LCPLGJRBVHKQFK-XMHGGMMESA-N 487.959 4.000 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711616 QFZYGOIFPWXVRU-RDPSFJRHSA-N 469.601 4.126 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3)CC2)cc1 1872884540 XUVKGEOHVYINRZ-UHFFFAOYSA-N 468.601 4.471 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H]1c1cc(Br)cc(Br)c1O 1952607810 MOUVECAYUOKQQX-OLZOCXBDSA-N 450.171 4.317 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCCCC3)nc12 2314414434 YUFPYHNNEWYILO-KRWDZBQOSA-N 484.647 4.128 10 10 JICE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 2314766566 AWDZIBXLMKVGSM-UHFFFAOYSA-N 457.573 4.347 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323809294 VYMDJKBICCDQPN-OAHLLOKOSA-N 482.352 4.191 10 10 JICE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S)C(=O)O 15044974 WTMLIMXOWKHPBP-SULWINFOSA-N 462.637 4.335 10 10 JICE Cc1cccc(Sc2nccnc2SCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 33289089 GBTHESVYYAUHRS-UHFFFAOYSA-N 466.632 4.181 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)cc1 54310960 RATIXQPAJAKISZ-ZJSXRUAMSA-N 472.651 4.133 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1 54620974 LBRNCSQDYXPUAJ-JOCHJYFZSA-N 457.486 4.419 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 96450651 LYXMBOMFVPCZQN-OLKKAHHKSA-N 484.559 4.473 10 10 JICE Cc1cc(CCNC(=O)N(C)C2CCN(CCc3ccccn3)CC2)c(C)n1-c1ccccc1 727223425 DVOPQRFNIAFLFP-UHFFFAOYSA-N 459.638 4.380 10 10 JICE Brc1cc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1N1CCCCC1 1177153372 MAZUMCYYLMFVIS-JOCHJYFZSA-N 458.444 4.430 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c4c(nc5ccc(F)cc35)CCOC4)cccc21 1859616584 RPZOEJAGYRDOGH-UHFFFAOYSA-N 452.441 4.474 10 10 JICE CCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC 1860759506 UNOVVWFPYNOGMA-UHFFFAOYSA-N 452.960 4.035 10 10 JICE Cc1ccccc1OCCCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826134 AQLQBTMPOQSCBW-DQRAZIAOSA-N 496.610 4.247 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011232 RZQIUJCRROTGHV-QHCPKHFHSA-N 488.588 4.380 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)cc4C)n(C(C)(C)C)n3)CC2)cc1 1869971089 WWMPDUXYUFLKAZ-UHFFFAOYSA-N 492.624 4.003 10 10 JICE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951961731 JYKRCLYQERIUJA-HSZRJFAPSA-N 463.486 4.494 10 10 JICE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2ccc3c(c2)CCCO3)C1 2140598502 WWDYPSWZYKVCHZ-DEOSSOPVSA-N 451.611 4.223 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 2296754024 SEXSHNLAXDZDTE-UHFFFAOYSA-N 450.520 4.182 10 10 JICE N=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297468046 SYJOOUPQIXDWKI-UHFFFAOYSA-N 491.548 4.036 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)cc1 2313556866 NDDWUSMIOYKBEM-UHFFFAOYSA-N 468.101 4.033 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(OCC)c(OCC)c3)SC2=S)CC1 2323858196 QHOHTISLNXOITD-UHFFFAOYSA-N 464.609 4.306 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(C)c3)c3ccc4c(c3)OCO4)CC2)cc1 17122609 LUOYRCHYBIJCBH-RUZDIDTESA-N 473.573 4.026 10 10 JICE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 20356216 BDDBKDOHERWPGK-INYGCOGDSA-N 475.574 4.125 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33458371 GHYOJAAVGCWVOB-SDXDJHTJSA-N 483.640 4.474 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)C2=O)cc1 1083927914 QDZQDYWMZLNFAG-UYRXBGFRSA-N 494.887 4.452 10 10 JICE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 1083943445 ZHWIKOQNZXXSDX-ODLFYWEKSA-N 495.894 4.340 10 10 JICE CCOCCCNC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1860763973 UQOXPDAPZFKGKA-UHFFFAOYSA-N 497.411 4.008 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c3ccccc3)CC2)cc1 1868832373 WURBAYAFTXSDIG-OYUWMTPXSA-N 487.575 4.144 10 10 JICE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC 1873554329 LIEJBLIVFRGMEC-UHFFFAOYSA-N 478.641 4.439 10 10 JICE CCCCCOc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 2296712226 LOTFAHPUNXGYJB-INIZCTEOSA-N 469.650 4.043 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 2296885327 PFAFRTNVAFOOKN-GFCCVEGCSA-N 471.434 4.095 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 2313549274 RNJKEHXZUZFVNA-UHFFFAOYSA-N 452.507 4.185 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3OC)C2=O)cc1OC)C(=O)O 2314932914 PWVWWYWQOHDSHX-HNNXBMFYSA-N 459.545 4.352 10 10 JICE Cc1cccc(OCCCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326944952 QXNMOPFUPXZNOU-UHFFFAOYSA-N 496.610 4.247 10 10 JICE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc2NC1=O 11857492 CSXCMQDNZKESPO-SNVBAGLBSA-N 480.365 4.093 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 20356531 MYXQRQUWMBVAHV-ZCIRBWHOSA-N 450.543 4.296 10 10 JICE O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 20413983 GECOJLGIEYVLGX-CKDLINKZSA-N 452.511 4.078 10 10 JICE Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCSCc4nc[nH]c4C)cc3)c2cc1C 33006136 ZFIHEGHQKRTZBE-UHFFFAOYSA-N 475.618 4.065 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S 40888829 VFTVHBIGYAFYII-PTNGSMBKSA-N 458.399 4.392 10 10 JICE COc1ccc(CN2CCN(C(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)c(OC)c1OC 105640896 HSZVLBAZRUMKOQ-UHFFFAOYSA-N 481.568 4.217 10 10 JICE CCO[C@@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(OC)ccc1O)CC2 207824315 GGMBAHBKNCAUNV-CLJLJLNGSA-N 476.573 4.417 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011245 DUHLLSYEWDXMGF-QFIPXVFZSA-N 496.995 4.305 10 10 JICE CC[C@H](C)[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865985324 IUBCOMSSTKFVRX-GKBBYZSKSA-N 490.648 4.107 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(C)cc(C)c4)n(C(C)(C)C)n3)CC2)cc1 1869970064 DLMRMEHTBXOQGF-UHFFFAOYSA-N 462.598 4.237 10 10 JICE CC[C@@H](C)NC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962789 QZOZZRZAKWHZGX-OAQYLSRUSA-N 491.636 4.059 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873169706 FTGZEANSUFXIFJ-UHFFFAOYSA-N 487.600 4.399 10 10 JICE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179818 QUIOCCLTNJZWJP-UHFFFAOYSA-N 467.477 4.457 10 10 JICE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891809489 PGUNMODMVRPWNU-YOEHRIQHSA-N 455.458 4.081 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCC(C)CC3)nc12 2040470098 DLXSMSSATNTAOT-UHFFFAOYSA-N 480.615 4.234 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)C)c(C(N)=O)c2I)cc1C 2079952160 DSHGLNAUTIVVIF-QGZVFWFLSA-N 453.324 4.032 10 10 JICE CCC(=O)NC1=NC(=O)C(=Cc2ccc(OCc3cccc(I)c3)cc2)S1 2297459206 HZXCYVJDBIQCMQ-UHFFFAOYSA-N 492.338 4.367 10 10 JICE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 2297578095 ROTGQWGHYFLQMY-UHFFFAOYSA-N 467.528 4.192 10 10 JICE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1Cl 33424624 RTTQPVPZDAMDPG-CYVLTUHYSA-N 479.876 4.167 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1OC 33436534 VQXIIBMPKRPTJC-LTGZKZEYSA-N 470.616 4.044 10 10 JICE COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 39983158 DGWOJQVIROAOAI-XDHOZWIPSA-N 480.615 4.233 10 10 JICE CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 54311023 YBRHBGWVYXOQRF-GGAORHGYSA-N 476.614 4.045 10 10 JICE COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c(OC)c1 59595246 GDJQWFGDLBFSOV-FYJGNVAPSA-N 475.570 4.251 10 10 JICE CC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cc2C[C@H]1C 1193466223 YIVRLASEDUQWHC-GOSISDBHSA-N 451.592 4.179 10 10 JICE CCCC[C@H](NC(=O)CCCOc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216199 WKJRJMWRRMSGIY-SANMLTNESA-N 481.637 4.186 10 10 JICE COc1ccc(C2=NN(CC(C)C)C(=O)/C2=C/c2cc(Br)c(O)c(OC)c2)cc1 1865666134 FOZZBKABBVANAM-RQZCQDPDSA-N 459.340 4.458 10 10 JICE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)CC2=O)cc1 1865926997 OUEYNAMTFFDPTA-OAQYLSRUSA-N 457.530 4.028 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3cc(Cl)cc(Cl)c3c2=O)c2nccn2C)cc1 1866454939 DSYOLTLQJAXNQO-HXUWFJFHSA-N 470.360 4.154 10 10 JICE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873166160 FDFDWWVVFZTPLS-UHFFFAOYSA-N 455.558 4.177 10 10 JICE COc1ccc(CCN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167002 NXZOQAUDPKTMHR-UHFFFAOYSA-N 487.600 4.432 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427249 IYAIUFKOJCYMIK-UHFFFAOYSA-N 499.571 4.289 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 1874180591 GSAWMUCLVJYJEN-UHFFFAOYSA-N 471.472 4.413 10 10 JICE CN(Cc1ccccc1O)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1963695487 WXTHBFZKXZABDF-UHFFFAOYSA-N 467.610 4.300 10 10 JICE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2053510630 LRGPCVUAUBGACB-UHFFFAOYSA-N 494.642 4.243 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C1(CN)CCN(Cc2ccccc2)CC1 2194864823 VFMDZFNMCCNQBL-UHFFFAOYSA-N 464.654 4.457 10 10 JICE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1C 2297352681 LNIDUFQNXMWLTP-UHFFFAOYSA-N 476.606 4.247 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 16922628 PRJKKBIYSFPJOY-WJDWOHSUSA-N 478.498 4.216 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066562 IASPKYQOYKCMTD-CTFRJJSNSA-N 466.632 4.220 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OCC 40937881 SNKFWXONNGUPIY-UVTDQMKNSA-N 474.398 4.011 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413667 SVCAVNZFAYASIZ-QHCPKHFHSA-N 472.570 4.279 10 10 JICE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C(=N)N21 96459549 IJORLJWAKZMLGQ-NHOPXOSBSA-N 490.566 4.040 10 10 JICE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 103040408 PILCSXZJUSJLMT-KXQKXUNCSA-N 472.327 4.383 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NCCOc2ccccc2OC)cc1 205965448 KMNADTNDQORCLL-NCELDCMTSA-N 457.530 4.397 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1084440937 SFZCVCGWSKDPHM-HMAPJEAMSA-N 481.468 4.217 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861925894 NKNKJJBIPMZOQN-RUZDIDTESA-N 477.992 4.039 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864014207 PJPVRJZBUSXZOT-OAQYLSRUSA-N 496.995 4.321 10 10 JICE CCCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702883 MNDBIDKUGBSVKV-AHWVRZQESA-N 497.595 4.378 10 10 JICE C/C(=C\c1ccccc1Cl)C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868138730 MTRGIAWSDHGUSL-FYWRMAATSA-N 458.901 4.274 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868844931 QAYRMLJQNYFLDX-LOSJGSFVSA-N 469.601 4.064 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5o4)n(C(C)(C)C)n3)CC2)cc1 1869970458 JTQWDNPBBCQUQV-UHFFFAOYSA-N 474.565 4.367 10 10 JICE CCOCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165625 SGZBMJQMLUJPQY-UHFFFAOYSA-N 487.600 4.399 10 10 JICE COc1cc(Cl)cc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2140605657 BYZUWHUNLROCND-OAQYLSRUSA-N 476.017 4.265 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 2293519294 ZUNLFYPEMDXIKF-UHFFFAOYSA-N 464.547 4.409 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 2294229308 IUKGFUMTTYTEKJ-UHFFFAOYSA-N 487.581 4.411 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccccc1 2294229401 QPIYHPLJAJBGIG-UHFFFAOYSA-N 452.333 4.071 10 10 JICE CCOc1c(Br)cc(C=C2C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 2297310565 ALXPVMHXFSNRBS-UHFFFAOYSA-N 469.694 4.110 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c2ccccc21 2314767982 JQKIKECOCKRRLG-SFHVURJKSA-N 452.557 4.231 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)C(C)=O 2314926803 SFFOVBNKXUOOER-GOSISDBHSA-N 455.557 4.466 10 10 JICE CC(=O)c1ccc(NC(=O)C(C)=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2320760437 PVAATYYURXATNT-UHFFFAOYSA-N 452.466 4.188 10 10 JICE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccc(Cl)c1Cl 10673522 NOASTCMTULSHJN-CXUHLZMHSA-N 481.382 4.353 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641047 VHXKEYRYXWPQPL-BSRJHKFKSA-N 458.580 4.226 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1cccc(O)c1O)N2 20898567 SJSQSJWLBKJEJP-HSZRJFAPSA-N 494.551 4.238 10 10 JICE CCCCOC(=O)CN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)SC1=S 40888817 KWMSGUWTDZGJQK-ZROIWOOFSA-N 474.398 4.098 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413194 JOWKGYQBGPXWQH-GOSISDBHSA-N 473.027 4.310 10 10 JICE CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 746218515 CFGDHSFNXVHIJL-UHFFFAOYSA-N 464.532 4.068 10 10 JICE Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 1858130883 QWIRSWXOFSGGAK-RUDMXATFSA-N 455.484 4.265 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)CC(c4ccccc4)c4ccccc4)C3)CC2)cc1 1858368141 WGNYLMPQTZCFHC-SANMLTNESA-N 497.639 4.415 10 10 JICE CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858589426 PZODDEMNCCHQHO-INJWIWPUSA-N 450.763 4.119 10 10 JICE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4c(Cl)cccc4C(=O)O)cc3C2=O)cc1 1859549374 XSYRYNAHONJBND-UHFFFAOYSA-N 478.888 4.138 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3Cl)CC2)cc1 1861912419 QJLADZNGRKOKEQ-RUZDIDTESA-N 495.982 4.178 10 10 JICE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(OC)c(F)c1 1862369491 HABUFYRTCMITND-UHFFFAOYSA-N 452.530 4.079 10 10 JICE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019787 QXTJPESZSBNIRU-OAQYLSRUSA-N 496.995 4.356 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867850929 JZKWWEHMOAWWDG-RPBOFIJWSA-N 468.617 4.134 10 10 JICE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 1868174354 VBFWJHOWCSONOG-UHFFFAOYSA-N 495.579 4.409 10 10 JICE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868857055 PAWJVVZTXZHWRO-CLJLJLNGSA-N 481.637 4.077 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3ccncc3)CC2)cc1 1870467904 GGVXSHZSCASBRB-UHFFFAOYSA-N 496.611 4.201 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2053466520 VNKKWZLZKXSZOJ-UHFFFAOYSA-N 470.572 4.102 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079999743 LSKHXQGDQVWJBN-KRWDZBQOSA-N 455.340 4.174 10 10 JICE COc1ccc(CC2=NN3C(=N)C(=Cc4ccc(SC)cc4)C(=O)N=C3S2)cc1OC 2296400266 KNLYOPVVKPOVEQ-UHFFFAOYSA-N 452.561 4.288 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1nccs1 2314832114 ZUXJHCBNWUHHFA-UHFFFAOYSA-N 484.422 4.231 10 10 JICE O=C(O)COc1ccccc1C=C1SC(=S)N(c2cccc(Br)c2)C1=O 2314930728 IKRQKMKMJVAFFU-UHFFFAOYSA-N 450.335 4.318 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 2323745107 DLSZGVUGRWRJRS-UHFFFAOYSA-N 470.616 4.344 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nccc5sc(C)cc45)CC3)CC2)cc1 33171987 XXOKTQLCVLMXAB-UHFFFAOYSA-N 450.608 4.179 10 10 JICE CC(C)CN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33330610 STTUNCQCZXGXKW-XMHGGMMESA-N 464.616 4.206 10 10 JICE CCCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC 34921505 PRYNFEWVCYVKLG-OAQYLSRUSA-N 483.719 4.368 10 10 JICE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c(OC)c1 102464262 PFKMUCJIAOVYNO-ULZOKRSMSA-N 486.557 4.174 10 10 JICE Cn1ccnc1[C@@](O)(CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 105569970 GNTKTXKYIFGSKK-VWNXMTODSA-N 469.463 4.325 10 10 JICE CCOCCCN1C(=O)/C(=C\c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S 208279098 SENKXEYRZNADAA-XDJHFCHBSA-N 457.621 4.008 10 10 JICE COC(=O)[C@@H]1SC(c2ccccc2)(c2ccccc2)[C@@H](C(=O)OC)N1c1ccc(OC)cc1 230213854 DEALLQDWYUBIHY-PKTZIBPZSA-N 463.555 4.233 10 10 JICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 1083934685 XOBICJRTLSJQTL-DHDCSXOGSA-N 473.323 4.140 10 10 JICE CCCC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861946565 JDHHFWOSNHWFPQ-ZJRYQZHFSA-N 470.013 4.386 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865028327 RXLLRJZOUKYZCQ-QFIPXVFZSA-N 494.979 4.343 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030598 MRJRWCDKHOPWNZ-FQEVSTJZSA-N 456.587 4.000 10 10 JICE CCOC(=O)c1ccc(CN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167281 ZPFLISYEXPPOHN-UHFFFAOYSA-N 483.568 4.303 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)CC(C)(C)NC(=O)OC(C)(C)C 2074363610 FVDFBICIBIDQSH-IBGZPJMESA-N 450.624 4.168 10 10 JICE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079982300 UYFCWLHCDKXNCF-QGZVFWFLSA-N 484.334 4.331 10 10 JICE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(O)c([N+](=O)[O-])c4)S3)CC2)cc1Cl 2296135788 AUWSOYHMVGJKHY-UHFFFAOYSA-N 458.927 4.055 10 10 JICE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc2N(C)C1=O 11857559 AVGYZWPWDFIVBJ-AWEZNQCLSA-N 469.588 4.233 10 10 JICE CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12553518 NBPCKIHCOWVKJF-SDNWHVSQSA-N 490.604 4.383 10 10 JICE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(F)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 54362116 NFOLDPUMFHBTBE-JOCHJYFZSA-N 472.582 4.177 10 10 JICE COc1ccc(CCCNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1OC 726613716 JJBJGELQQXEHGW-UHFFFAOYSA-N 463.525 4.206 10 10 JICE CNC(=S)N1CCC(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)CC1 1860632888 KNYXCSSQCYFJDJ-UHFFFAOYSA-N 459.637 4.282 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013367 WOWBFSBBVVAZMC-SBUREZEXSA-N 490.604 4.213 10 10 JICE CC(C)CC1=NN(c2ccc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2)C(=O)C1 1866192566 ZJMRNEMLOXCFCS-RUZDIDTESA-N 472.593 4.144 10 10 JICE COc1ccc(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170648 KFFMYGXDTNOJLT-UHFFFAOYSA-N 498.627 4.067 10 10 JICE COc1ccc(N2C(=O)C(=C3SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1 2296882947 FYRUULWRMCDSCE-UHFFFAOYSA-N 474.610 4.345 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)N(c3ccccc3)C2=O)cc1 2313560611 ZRZFUKBLWJJGJY-UHFFFAOYSA-N 457.486 4.008 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)C[C@H](C)O1 2314490510 YLJYJYIFFSORSC-IRXDYDNUSA-N 474.648 4.235 10 10 JICE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc32)SC1=S 2326945066 ZJGAYVNBALNTQJ-UHFFFAOYSA-N 476.938 4.072 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)Cc4ccc(C)cc4)o3)CC2)cc1 9115808 OERHAERRCWCRRF-JGCGQSQUSA-N 452.576 4.008 10 10 JICE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33528820 RSIHYAQINWDLKS-DBVORBBMSA-N 498.674 4.374 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 35179481 BQKIMDQWIZURCG-FOCLMDBBSA-N 469.426 4.204 10 10 JICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 39983143 WDSTURRFGCDLQT-RGVLZGJSSA-N 494.642 4.481 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066390 RGXBLSRFHFDGEK-ZHZULCJRSA-N 466.632 4.314 10 10 JICE O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)NCc1ccc(N2CCOCC2)cc1 210334712 GXVOTAWLMOYJPN-YWEYNIOJSA-N 454.420 4.056 10 10 JICE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNCc3cc(Cl)cc(Br)c3O)O2)C1 708178290 ONAOYLWRBGHSSN-AWEZNQCLSA-N 461.784 4.066 10 10 JICE O=C1[C@@H]2[C@H](/C=C\c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 1084293959 REFKVHSIRLCZNS-KBKDLEKSSA-N 483.907 4.376 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)c1O 1654132928 IMZTXNXLFPJFNU-LDQXTDLNSA-N 450.551 4.018 10 10 JICE CC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868671369 PXDBDFKKHOPOHX-JKNWAPSLSA-N 475.633 4.349 10 10 JICE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1c1cc(Br)cc(Br)c1O 1952607816 MOUVECAYUOKQQX-STQMWFEESA-N 450.171 4.317 10 10 JICE Cc1c(C(F)(F)F)nn(Cc2c(O)cccc2Br)c1I 2079825556 XROSCVAGUOWVPG-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 2296397860 CEIGJHMFFLPSKB-SFHVURJKSA-N 461.518 4.336 10 10 JICE Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2296660262 QHSOTRTUCNFVDD-UHFFFAOYSA-N 468.560 4.038 10 10 JICE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2296846600 BJDNFZXDPSSIRK-UHFFFAOYSA-N 474.652 4.087 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC(C)C 2313549122 NSIWCJLEVWIGCX-UHFFFAOYSA-N 487.350 4.467 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 2313559509 ZHFOLZJVEXOUGW-UHFFFAOYSA-N 480.492 4.384 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2314504456 RGUCSCGSOXJFLN-GOSISDBHSA-N 493.610 4.429 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2314650502 KOCLNEAVJVKPRK-GFCCVEGCSA-N 474.541 4.076 10 10 JICE COc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314934457 ZYMKYKLQPRNFIE-CYBMUJFWSA-N 457.529 4.156 10 10 JICE C=CCc1cccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1O 6142318 WRCWKDGTDXUJDE-XMHGGMMESA-N 463.584 4.324 10 10 JICE COc1cccc2c1O[C@@H](C)C(/C=C1/SC(N3CCN(Cc4ccccc4)CC3)=NC1=O)=C2 33523492 BEYPFBSEUVKIAK-RPNTZMPASA-N 461.587 4.191 10 10 JICE CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 35562034 HRMOFSWPERPJHC-UHFFFAOYSA-N 452.986 4.446 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c(C)c1 95927308 BYAQIPNAYXPBEE-PXLXIMEGSA-N 460.559 4.159 10 10 JICE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 102487137 NPRWFGAKPCMZNY-IMBSWCNGSA-N 481.637 4.125 10 10 JICE CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862217606 ILTCKKUPVJRARZ-CYFREDJKSA-N 488.028 4.140 10 10 JICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012551 CXOUKDSBPMQFNX-NYHFZMIOSA-N 494.567 4.044 10 10 JICE COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2C)cc1 1874188753 BOBJXSBROMENSH-UHFFFAOYSA-N 491.573 4.254 10 10 JICE O=C1C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2040535508 KFTFUXHSTPFCFE-UHFFFAOYSA-N 476.627 4.129 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080029697 BYTCNQAPXQKEJI-SFHVURJKSA-N 456.324 4.207 10 10 JICE CC[C@H](N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 2092393245 ODZLIBQNUDNFAA-UFYCRDLUSA-N 463.372 4.279 10 10 JICE Cc1cccc(CNC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1O 2139757524 IXVFLOOJRNOPSP-AREMUKBSSA-N 454.567 4.161 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N(C)Cc3ccccc3)nc12 2287551 QZGQZJFTDQFHBM-CPNJWEJPSA-N 464.616 4.249 10 10 JICE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10913048 YQDSWLZCZNZNGQ-RUZDIDTESA-N 455.470 4.089 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 20208197 QKUNKEAOAOFVHA-FZKGXIISSA-N 480.980 4.096 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478234 UYEFAFGJOGCEIP-UDWIEESQSA-N 484.622 4.435 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)NCc1ccco1 33932899 GWZYZLWVXSCMEG-BKUYFWCQSA-N 474.517 4.186 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCCC2)SC1=S 39989897 JPPNYGDXFYINSE-CCNLRRDASA-N 458.653 4.428 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 104372353 FYCPMSHPWOEFOB-KGUSFBOQSA-N 476.923 4.100 10 10 JICE COc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)N2CCOCC2)cc1OC 247826653 JNTKBQIOUPRJPC-DEOSSOPVSA-N 481.568 4.054 10 10 JICE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 727931477 LPWZQNDTFZXPGX-UHFFFAOYSA-N 478.578 4.364 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)CCc4ccc(C(C)(C)C)cc4)C3)CC2)cc1 1858388090 FZHCYHBUFFFTDH-HSZRJFAPSA-N 477.649 4.123 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 1858586396 FELSKDRXDKEADJ-LTGZKZEYSA-N 454.617 4.378 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(C)s2)cc1OC 1859573653 VIKHLUBLKGUCDC-UHFFFAOYSA-N 473.576 4.166 10 10 JICE CC(=O)Nc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347546 WBISMZWDSCMOKQ-MUUNZHRXSA-N 493.567 4.385 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012311 XHZYVWKWNFSIDJ-QFIPXVFZSA-N 494.979 4.058 10 10 JICE Cc1c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2ccc(Cl)cc12 1866292819 FQNYBCMXSTXCFI-OAQYLSRUSA-N 450.926 4.074 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3cccs3)C2=O)cc1 1873167460 IKLNDMWMDNSMQR-UHFFFAOYSA-N 476.646 4.367 10 10 JICE CSc1ccc(C=C2SC(=O)N(CCNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 2042444288 VXNWKHFKXIODBN-FQEVSTJZSA-N 498.626 4.433 10 10 JICE C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 2326224799 BUCAWGVTYNXSRU-GFCCVEGCSA-N 461.374 4.212 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)cc1 15044778 HZEFUKNEEAAQPN-MNDPQUGUSA-N 478.636 4.218 10 10 JICE COc1cc(OC)c(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc1Br 33319759 RAEFWIFVXIQCPU-ZSOIEALJSA-N 461.337 4.446 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33474097 BSFOOVOVWJFOPV-MCRQTXEHSA-N 486.663 4.375 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812197 SSOIBVWOIZZWMC-WIZLDEDZSA-N 492.670 4.449 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066595 BWBFNSIFGKRBLZ-JAIQZWGSSA-N 476.583 4.172 10 10 JICE O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2c(CNCCO)c(O)ccc12 94993425 TUIQTKVUOKFGIN-UHFFFAOYSA-N 458.230 4.029 10 10 JICE CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(Br)cc(OC)c1O 101549753 JIQRLTNBSFREGQ-YBEGLDIGSA-N 459.296 4.448 10 10 JICE CN(CCCl)c1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1 108396733 RDRXRNSLZKODBH-SFQUDFHCSA-N 451.832 4.408 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 110571258 ZRMQENGPWMFYSU-PXLXIMEGSA-N 456.458 4.418 10 10 JICE C[C@@H](Nc1cc(I)cc(I)c1)c1cc(O)ccc1O 690409941 SJEZPICMMQKYMK-MRVPVSSYSA-N 481.071 4.480 10 10 JICE O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726565499 AFRPOXVQZKFBQV-UHFFFAOYSA-N 478.496 4.354 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(C)n1-c1ccccc1 729784366 NXXRRKMKLGFMLF-UHFFFAOYSA-N 492.473 4.066 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)CC1 1359354596 RTEPKOBZWSZAFT-UHFFFAOYSA-N 484.695 4.149 10 10 JICE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1O 1659216936 RRYSLSZFGYVSLH-CEWLAPEOSA-N 450.551 4.161 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011478 VASRFLRQSABWIQ-DEOSSOPVSA-N 496.567 4.247 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018730 BJSKIBRPLVTKNX-NRFANRHFSA-N 496.995 4.025 10 10 JICE COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1874179438 DXRPFMVTVWHLNT-UHFFFAOYSA-N 453.454 4.122 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2040470089 CZPJWEJQMIUYQX-UHFFFAOYSA-N 476.627 4.395 10 10 JICE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031154 GROUBZLKCYAKJX-OAHLLOKOSA-N 455.340 4.144 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)cc1 2294259150 MQPXUZPVJDSDEO-UHFFFAOYSA-N 466.902 4.438 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc2c(c1)OCO2 2296881391 FDJPQTNUYBLIBI-UHFFFAOYSA-N 477.361 4.018 10 10 JICE O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2297366563 MBDPULFTMXSRKK-UHFFFAOYSA-N 458.699 4.246 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297511650 VRJUEJWARYDMDB-UHFFFAOYSA-N 467.576 4.279 10 10 JICE CN(C)c1ccc(CN(C(=O)/C=C\c2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 34798540 RFVDAOVCOPVJCX-GFWYJJLOSA-N 467.418 4.289 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1c[nH]c2ccc(OC)cc12 38168777 GBDUEXDOTRFXDT-FYJGNVAPSA-N 476.529 4.109 10 10 JICE O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(O[C@@H]2/C=C/c2ccccc2)C(=O)c2ccccc2C1=O 226381746 REFKVHSIRLCZNS-XAIXRMHQSA-N 483.907 4.376 10 10 JICE COc1ccc(N2CCN(C(=O)c3cccc(OCc4cn5cc(C)ccc5n4)c3)CC2)cc1 253598856 UTXUZFXDOCHOAY-UHFFFAOYSA-N 456.546 4.193 10 10 JICE CC[C@H](C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(Cc1c(O)ccc3ccccc13)C2 299772101 ZGSSRBTWYYGTPR-HNNXBMFYSA-N 488.631 4.029 10 10 JICE COc1ccc(OC)c(S(=O)(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)c1 586249209 FZBIOVCHYFWIQA-UHFFFAOYSA-N 465.527 4.083 10 10 JICE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 1084113169 UBUMKEATTIOZFX-XDHOZWIPSA-N 458.561 4.151 10 10 JICE CCOc1cccc2c(O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866507063 YMXCXCUBCGRUJQ-HSZRJFAPSA-N 462.594 4.362 10 10 JICE CCCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866565154 YJNYDOSLLWVQHG-FQEVSTJZSA-N 475.932 4.438 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869082740 ISUXZLSVKUOZKL-OAQYLSRUSA-N 495.631 4.249 10 10 JICE COc1ccc(CCN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166832 IYVHPIJUWJAYDB-UHFFFAOYSA-N 457.574 4.423 10 10 JICE CC[C@@H](C)N1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167868 AWHKURAADMBCTM-QGZVFWFLSA-N 471.557 4.491 10 10 JICE CCCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548849 MCYQQLIPUMCWNX-FQEVSTJZSA-N 476.625 4.049 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1nccs1 2042453481 LWSDGKRAECTPCB-UHFFFAOYSA-N 455.533 4.365 10 10 JICE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079047173 JFGKNVWJHPOGMT-ZDUSSCGKSA-N 453.246 4.225 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048554 UROSIYFQTVRKPC-INIZCTEOSA-N 454.308 4.311 10 10 JICE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C 2294216884 LWQNPZGMBYMBQB-UHFFFAOYSA-N 487.581 4.329 10 10 JICE N=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296052869 IZDGHTSZJCFKPP-UHFFFAOYSA-N 465.510 4.107 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)C(C)=O 2314926986 WYNPPWMDGYDTSI-YLJYHZDGSA-N 455.557 4.460 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 16926803 LWMDNMCHWSHKPU-RZNTYIFUSA-N 464.318 4.251 10 10 JICE CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2cccc(OC)c2)SC1=S 27531700 WLJWVUZUFBJSMK-XDHOZWIPSA-N 460.533 4.282 10 10 JICE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 33780698 QSQSCYDCQMBNNT-NBVRZTHBSA-N 474.652 4.233 10 10 JICE O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107980301 DCEMLLCWIPYADR-UHFFFAOYSA-N 484.902 4.216 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3F)C2=O)cc1 1858591414 KRTJCYSRAVRQLP-DEDYPNTBSA-N 458.580 4.474 10 10 JICE COC(=O)c1c(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)sc(C)c1-c1ccc(C)cc1 1860628140 WXYVCYBGKHDYRG-IBGZPJMESA-N 470.591 4.175 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)sc(C)c1-c1ccc(C)cc1 1860750124 GKVBFIJNMYGOQE-UHFFFAOYSA-N 468.531 4.413 10 10 JICE CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862120861 GXZWKBLUESYSND-HHHXNRCGSA-N 485.628 4.461 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 1865677347 FEXHNNCEDLURJC-LGMDPLHJSA-N 490.482 4.076 10 10 JICE CSCC[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020929 HRUNCCONIDTCRC-AOMKIAJQSA-N 478.614 4.465 10 10 JICE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OC(C)(C)C 1885180924 AHLMZDVBGIDWQU-KRWDZBQOSA-N 460.619 4.398 10 10 JICE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)c(O)c(O)c1 1951858896 ZQARFRHJEXMOER-QHCPKHFHSA-N 463.486 4.494 10 10 JICE CSc1ccc(Cl)c(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1 2042449797 ILHYANAOOMBRNK-UHFFFAOYSA-N 493.031 4.422 10 10 JICE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079036119 QAIHBRBSGJNCFU-CYBMUJFWSA-N 450.198 4.332 10 10 JICE O=C(O)[C@]1(COCc2ccccc2)CCN(Cc2cc(Cl)cc(Br)c2O)C1 2159929167 RPDVEAIGVNZQDT-HXUWFJFHSA-N 454.748 4.302 10 10 JICE COC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2293080800 FOEPYNIGMYSDSL-UHFFFAOYSA-N 474.398 4.098 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296698698 GDDPASFNBPRCSD-IAGOWNOFSA-N 498.674 4.150 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313560010 FYPDBTRMEBVGRZ-UHFFFAOYSA-N 471.513 4.279 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15039892 DKNODMBPNLQRFX-RGEXLXHISA-N 470.572 4.189 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)c(F)c4)C3=O)c2C)cc1 16462928 DGRSSNSQVCKUTO-VWLOTQADSA-N 451.473 4.331 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310974 XYUSUPYIZMDAEZ-JOCHJYFZSA-N 493.069 4.398 10 10 JICE O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712991 AGXRBKWRGPQNOH-FPDKYURTSA-N 455.518 4.262 10 10 JICE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1 728983939 HWFBBPGCZGOFFB-MRXNPFEDSA-N 488.993 4.366 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(C(C)=O)cc1 1857997867 OZZGDNLPOFHVJO-UHFFFAOYSA-N 457.483 4.313 10 10 JICE CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 1858590175 AKOQLAHPLOSSJZ-XPFMCRKWSA-N 456.589 4.136 10 10 JICE CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COc1ccc(N)cc1 1860083169 GQPHEKPLKXJIAP-UHFFFAOYSA-N 456.520 4.209 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCOC(C)C)C2=O)cc1 1873419914 FIUAFGAGYBZMJS-UHFFFAOYSA-N 487.556 4.440 10 10 JICE COc1ccc(-c2noc(CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1OC 1874017440 QAVZUOAYWXZVAW-UHFFFAOYSA-N 483.480 4.101 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705071 MUSKAODZTZXALV-INIZCTEOSA-N 456.637 4.239 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4C)cc3)C(=N)N12 2297341118 YYXWQYOZYGZVHY-UHFFFAOYSA-N 452.561 4.392 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414258 UQESZEDGXYUMEA-UHFFFAOYSA-N 471.007 4.490 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837542 UFCINNXCQILSGR-NSHDSACASA-N 463.378 4.383 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCCC3)nc12 33511172 JYBDCMUAFWERPL-HKWRFOASSA-N 476.627 4.395 10 10 JICE O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 103040720 QFSZYAOCIDYUFJ-RQZCQDPDSA-N 456.932 4.286 10 10 JICE CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(I)o3)SC2=S)cc1 917644097 SMMXYDICCDTTFN-MDWZMJQESA-N 455.298 4.493 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cnn(Cc2ccccc2)c1 918579539 AKAWPCNTKLCSRR-UDWIEESQSA-N 482.656 4.291 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C2=O)c1 1083956121 UBOSPTVBXRSDKQ-PGMHBOJBSA-N 463.534 4.141 10 10 JICE CC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996875 ARUZEPVXUTYYPR-JPYJTQIMSA-N 458.002 4.086 10 10 JICE CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870992341 QALVTDVJRMTIPG-RUZDIDTESA-N 490.604 4.240 10 10 JICE Cn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1NC(=O)c1ccccc1Cl 1871333410 VBKLOMQTRPVNPV-UHFFFAOYSA-N 484.899 4.354 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(NC(C)=O)cc5)[nH]c4c3)CC2)cc1 1872798294 SSHHLFOLKYPHNU-UHFFFAOYSA-N 483.572 4.083 10 10 JICE CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)C2=O)cc1 1874017289 MYOXFJZRLSPREG-QFIPXVFZSA-N 481.508 4.039 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079858722 UUTWNOISNLVJDK-AWEZNQCLSA-N 481.256 4.069 10 10 JICE CCN1CCc2cc([C@H](NC)[C@H](CN(C)Cc3ccccc3)NC(=O)OC(C)(C)C)ccc21 2106851060 PIDFUIBCBRGSOO-ZCYQVOJMSA-N 452.643 4.355 10 10 JICE Cc1cccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296397933 IDRVHUZREWBFOR-UHFFFAOYSA-N 469.497 4.284 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1c(C)cccc1C 2296596599 UDNWKBQMICEFBU-UHFFFAOYSA-N 490.512 4.025 10 10 JICE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 2297469427 JCQWHJZEKWHFNY-UHFFFAOYSA-N 456.531 4.165 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 39835980 YTHHFGPNBCKQTQ-SFQUDFHCSA-N 499.545 4.000 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(OC(F)(F)F)cc4)c3[N+](=O)[O-])CC2)cc1 40611267 NXQGBGIMEMAZST-UHFFFAOYSA-N 490.442 4.362 10 10 JICE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 59336715 CUEYAXFCEGZGAW-SXGWCWSVSA-N 473.323 4.140 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCCC4)C(=O)[C@@H]23)cc1 59417305 UGTUXGGAZIUKFL-VJBWXMMDSA-N 457.526 4.208 10 10 JICE Cc1cc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)n1-c1ccc2c(c1)OCCO2 110376000 KHAHIIZFOJECSD-HSZRJFAPSA-N 473.533 4.437 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210728768 JVUSYSIBJDPMNY-CAPFRKAQSA-N 468.600 4.316 10 10 JICE C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(N2CCCC2=O)cc1 726613771 JYRNJPHEMLDVRE-QGZVFWFLSA-N 472.536 4.444 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C)cc1 1084035027 CXLPJBQYKLOSMF-BKUYFWCQSA-N 460.461 4.388 10 10 JICE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)cc1C 1705868597 UHICRKFEPOQGAR-UHFFFAOYSA-N 464.639 4.077 10 10 JICE COc1ccc(OCCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 1858587331 WCXXSWYVVDQSIA-CPNJWEJPSA-N 461.561 4.001 10 10 JICE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCOCC4)nc(-c4ccccc4)n3)cccc21 1859832873 QNLNWUVRGUXJMW-UHFFFAOYSA-N 462.509 4.499 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867973223 NAYQDICDVDICAP-SFTDATJTSA-N 459.594 4.092 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869193141 ZHTTVXGVPDNOPU-DEOSSOPVSA-N 488.636 4.082 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(OC)cc5OC)[nH]c4c3)CC2)cc1 1872798205 OWBJCCXNQHTZHF-UHFFFAOYSA-N 486.572 4.142 10 10 JICE CCc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)cc1 1873650298 HREKTSWOCISYBO-UHFFFAOYSA-N 470.577 4.118 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)c(O)c1 2079857547 BPPAQNAHTRVZJA-AWEZNQCLSA-N 481.256 4.069 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296538443 PWGNUGANIAQTCB-UHFFFAOYSA-N 471.991 4.307 10 10 JICE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 2296724879 YWDUOKCZOTXILP-INIZCTEOSA-N 462.600 4.257 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C(C)=Cc3ccccc3Cl)C(C)C)CC2)cc1 2330094577 XELOHSRIFYADRQ-XMMPIXPASA-N 470.013 4.242 10 10 JICE COc1ccc(-n2c(C)cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c2C)cc1 27143425 GYFYAUCMMCVMAZ-UHFFFAOYSA-N 493.604 4.087 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 33322438 ZITGWFZXBHJYIO-PDGQHHTCSA-N 463.402 4.379 10 10 JICE Cc1cccc2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732802 QQFAEAHLAFQCEE-MOSHPQCFSA-N 492.626 4.239 10 10 JICE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066844 BXAUXEVDZIYZOT-ZDLGFXPLSA-N 456.568 4.021 10 10 JICE CCc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 59325971 IEVWBDSRTHIORG-IWIPYMOSSA-N 456.546 4.496 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526556886 PSGVQJSZYROLDJ-JOCHJYFZSA-N 455.413 4.450 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccnc4Cl)CC3)ccc21 1860605659 BOOHYVPGDZCGGU-UHFFFAOYSA-N 473.916 4.001 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)ccc2OC)sc(C)c1-c1ccc(C)cc1 1860748510 DETBGIIBQIBAIM-UHFFFAOYSA-N 468.531 4.413 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864014235 PVYQVSNAENRPIR-QHCPKHFHSA-N 490.604 4.019 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864021967 SGAVTJAFBSLALD-QHCPKHFHSA-N 490.604 4.141 10 10 JICE CCN(CC)CCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164389 ZNTNWTZZFWJRSZ-UHFFFAOYSA-N 499.659 4.481 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCCSC)c3)CC2)cc1 1874737058 IGDKOYLPLXTVCC-UHFFFAOYSA-N 456.608 4.139 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCc3cc(Cl)cc(Br)c3O)CO2)C1 2201734267 KTHBJYHRYWNUDZ-AUUYWEPGSA-N 461.784 4.066 10 10 JICE CC[C@H](C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2295993337 OAGAZGGQHQCTOY-AWEZNQCLSA-N 494.598 4.035 10 10 JICE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296538448 QAQNDTGKFUXTIN-UHFFFAOYSA-N 471.991 4.305 10 10 JICE CCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296703953 AIWMYTHLAFVHHD-UHFFFAOYSA-N 450.589 4.145 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 2297346371 ZWRFVFFNGCGOPQ-UHFFFAOYSA-N 496.401 4.022 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 2297364604 QIVFEVUYRSRLCZ-UHFFFAOYSA-N 490.899 4.230 10 10 JICE CCOC(=O)CC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 2297500003 DHHUMRKJLQYSAN-UHFFFAOYSA-N 463.563 4.229 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15036599 AMQIKAPSKMAUJF-QNGOZBTKSA-N 498.626 4.228 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 20208596 ZDVADGNODJQEDN-HTYYESGYSA-N 490.010 4.067 10 10 JICE CN(C)c1ccc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1Br 33305439 CAJBOXSEOFFZJL-GEVAWUEVSA-N 460.382 4.244 10 10 JICE COc1cccc(O)c1CN1CCC2(CC1)c1ccccc1[C@H](NC(=O)c1ccsc1)[C@@H]2OC 206129888 VYEZFKSKAKOHRF-DQEYMECFSA-N 478.614 4.496 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 526513155 VUWBCZNURHXUAM-XMMPIXPASA-N 460.486 4.430 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2CCCSc2nccs2)CC1 1690776063 HVHINZKZYZWNGQ-UHFFFAOYSA-N 462.689 4.097 10 10 JICE C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347212 BVBZQDBDFPNQCK-YNRIFVMWSA-N 456.590 4.483 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860721390 RKCAFUFTWMBFDA-UHFFFAOYSA-N 499.748 4.312 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1 1860844305 GNXDWIXQYGXSBA-UHFFFAOYSA-N 457.578 4.355 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032404 BOQDARUBJIYIET-FQEVSTJZSA-N 482.968 4.062 10 10 JICE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865034649 BDUIYYRQXQXBET-QFIPXVFZSA-N 476.577 4.008 10 10 JICE COc1cccc2c1C(=O)N([C@@H](CC(C)C)C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C2=O 1865837559 XSQLUZNLUWQNOD-NRFANRHFSA-N 496.519 4.120 10 10 JICE CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870779828 BUPQTNYJMJNTGV-UHFFFAOYSA-N 491.632 4.355 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873164837 VAKFAODRVMTJAC-UHFFFAOYSA-N 457.574 4.425 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873166356 MWMNXBKEXFDLRU-RUZDIDTESA-N 485.584 4.151 10 10 JICE CCOCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167542 LVCJOOQDJQTYDQ-UHFFFAOYSA-N 494.680 4.312 10 10 JICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419368 BHISHZFDCYVCCT-RUZDIDTESA-N 498.583 4.424 10 10 JICE CCCNC(=O)CSC1=NC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 2042438448 DKHJOMLZBGJYLU-UHFFFAOYSA-N 488.560 4.357 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)c(O)c1 2080053539 ULZYXVYXFNBPER-INIZCTEOSA-N 453.324 4.225 10 10 JICE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2201347457 DXKSNBDKSUMNDQ-WGDIFIGCSA-N 472.630 4.303 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)c1 2293188512 SBMLEMLLIVAWKP-UHFFFAOYSA-N 451.953 4.304 10 10 JICE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=Cc1ccc(OC(=O)c2cccs2)cc1 2296441603 RLNSMEANMSZBHF-UHFFFAOYSA-N 468.512 4.020 10 10 JICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 2296545908 AAUGDWVUKMNSHQ-UHFFFAOYSA-N 451.573 4.396 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 2297559173 YBBSMAIQUDEMKQ-UHFFFAOYSA-N 488.565 4.293 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3cccs3)CC2)cc1 20289532 WPWQNBYEUQNJRZ-MHECFPHRSA-N 455.649 4.429 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N21 96460600 OJGQLLLOFKHRAJ-NWECJKKASA-N 490.010 4.067 10 10 JICE CCN(CC)Cc1ccc(CNCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860720413 ADIQZCOLIKIYAP-UHFFFAOYSA-N 455.558 4.032 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(OC)c(OC)c5)[nH]c4c3)CC2)cc1 1861868577 PUCIFNCEEUWPOH-UHFFFAOYSA-N 472.545 4.218 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864019333 IVTPVFQDUIIXGV-QHCPKHFHSA-N 490.604 4.133 10 10 JICE Cc1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867895194 ZQCVBDNVCFBXRM-RUZDIDTESA-N 464.654 4.221 10 10 JICE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1 1867992380 CKAWXOOZGYNIFB-UHFFFAOYSA-N 491.636 4.086 10 10 JICE CC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696766 VUPQIHZXCXWQOP-CLJLJLNGSA-N 465.638 4.377 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](C)c3cccc(Cl)c3)C(C)C)CC2)cc1 1868996080 ZGJHFIFVLQCWJJ-UQBPGWFLSA-N 472.029 4.332 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCOc4ccccc4)c4ccccc34)[C@H]21 1873899386 VMBNQPMYUJREKR-LJAQVGFWSA-N 494.595 4.374 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079844490 NFJDOCRWCLZSSY-CYBMUJFWSA-N 496.223 4.308 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2234877779 FGEPANXMIAGZED-LLGFUMIMSA-N 472.630 4.302 10 10 JICE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2293308770 VBGZYQXPERTBBT-UHFFFAOYSA-N 475.910 4.332 10 10 JICE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 2296716193 HOCAMFKSGRGSJE-UHFFFAOYSA-N 462.600 4.005 10 10 JICE Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)n1-c1ccc2c(c1)OCCO2 32301246 LJCYZBFKOJLXCI-DEOSSOPVSA-N 460.509 4.257 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(N(C)Cc2ccccc2)n(C)c(=O)c1C#N 33454516 CZAXMKHSJLLUOM-FYJGNVAPSA-N 480.659 4.449 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 33757706 DOQJOKJBVJSOPQ-RZKQZQCBSA-N 476.627 4.257 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1 62694417 ZYGPTLFALADNLG-UHFFFAOYSA-N 486.037 4.078 10 10 JICE CC[C@@H](NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cc(Br)ccc1O 387937972 FQYCLYGKMYSYHL-UYAOXDASSA-N 463.372 4.233 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2)c1 1860852267 VILKRSPKOBZNOR-UHFFFAOYSA-N 474.580 4.031 10 10 JICE C[C@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1868159161 JBUUQKLESBWSPD-OAHLLOKOSA-N 460.917 4.364 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174859 LTQFTCQOWUGYPH-VXKWHMMOSA-N 473.621 4.401 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873170026 LSBKWHVINQXIIT-UUOWRZLLSA-N 471.605 4.308 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(Cl)cc3)n4C)CC2)cc1 1873650770 VHGILWYREWADAN-UHFFFAOYSA-N 476.968 4.209 10 10 JICE O=C1C(=CNc2ccc(F)cc2)C(CSc2nnnn2-c2ccccc2)=NN1c1ccccc1 2294073333 SECPLYWXFSFWCQ-UHFFFAOYSA-N 471.521 4.292 10 10 JICE CCC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)cc1)C(Cl)(Cl)Cl 102855943 USGFTCPTJQZNFM-ISBHARSQSA-N 497.853 4.136 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226742473 IVYJJTADMLLOAS-YDIMBITNSA-N 456.564 4.135 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526505867 JCCVZSKCSNGKMX-DEOSSOPVSA-N 462.502 4.238 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(C)cc1 1860651404 MJMCCSHSBGRAJW-RTBURBONSA-N 470.591 4.175 10 10 JICE CCc1nc(N2CCN(Cc3ccc(C)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867958519 YZAVMQQKEIAGEU-UHFFFAOYSA-N 486.664 4.005 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C3CCCCC3)C2=O)cc1 1873168548 ZDGIIWBFWVTRPY-UHFFFAOYSA-N 471.605 4.383 10 10 JICE O=C(NC[C@H](NCc1cc(Br)cc(F)c1O)C(F)(F)F)OCc1ccccc1 2029877839 CRFFNMHIQOMCRY-HNNXBMFYSA-N 465.241 4.241 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc(N)c2C1 2163172171 NMBJKAXSSJWULG-QZTJIDSGSA-N 472.630 4.255 10 10 JICE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2294100512 XFOMSWKANMADOE-UHFFFAOYSA-N 482.246 4.284 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2296540756 NQMYOHCHWKMSMT-IYBDPMFKSA-N 470.664 4.342 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2297232893 XOSOQFHPLKPAPZ-UHFFFAOYSA-N 458.536 4.232 10 10 JICE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2297298498 ZGSFUXVHIFFSGB-UHFFFAOYSA-N 477.904 4.339 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 2297561455 CMKKBLWVEJMORC-UHFFFAOYSA-N 466.334 4.298 10 10 JICE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 3093416 SKJNQYVVEACIHC-UNOMPAQXSA-N 472.569 4.008 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641125 BTWXQYVUVRCUKH-STSQHVNTSA-N 458.580 4.227 10 10 JICE O=C(O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 16906437 SWJLEANAPHAFJS-OVCLIPMQSA-N 450.335 4.318 10 10 JICE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N12 20154828 GVQDYZVTQOGZIW-SRRKIXIOSA-N 453.505 4.113 10 10 JICE CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)c(Br)c3)C(=N)N2O1 20236752 WHFYSJHIOXULPE-LGAXMMIFSA-N 470.254 4.258 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 33924322 FXJAUHDNLLEZJU-SXGWCWSVSA-N 463.378 4.298 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 104614774 GIEKBJYEBKZIFF-FYJGNVAPSA-N 489.484 4.464 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2cccc(OC)c2OC)cc1 104615351 BTQWOYJWHKCURQ-RCCKNPSSSA-N 459.458 4.455 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(C)cc12 205945115 LPTVYSZPOIGWQM-LFVJCYFKSA-N 487.585 4.458 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 214756276 PUYLUOCLAYQJMZ-XMHGGMMESA-N 499.570 4.392 10 10 JICE CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1O 1659216938 RRYSLSZFGYVSLH-NRSPTQNISA-N 450.551 4.161 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2OCC)sc(C)c1-c1ccccc1 1860767801 IWLSTQZKGCQHTH-UHFFFAOYSA-N 453.520 4.271 10 10 JICE CCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665531 YTQNBWPMBUUPDN-KNTRCKAVSA-N 469.969 4.256 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1869214897 KICIULGKHZVXOP-UHFFFAOYSA-N 474.565 4.367 10 10 JICE CC[C@H](C)N1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425289 XLPRJBFKTZIMMO-KRWDZBQOSA-N 491.613 4.488 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 2294124660 RCGLTMAOXDHIIB-UHFFFAOYSA-N 471.469 4.403 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 2294229357 MVQFJQDGKRYSEU-UHFFFAOYSA-N 472.147 4.293 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2297554566 HPKWTVYETMGINS-ZDUSSCGKSA-N 458.970 4.125 10 10 JICE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314540950 BWXPGTWFHQXUBQ-CYBMUJFWSA-N 485.370 4.173 10 10 JICE Cc1ccc(C(=O)NN2C(=O)C(=C3C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)cc1 2314764913 OYHIPSYVVOCTNU-UHFFFAOYSA-N 485.590 4.458 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)ccc21 2321908242 PPJSZSKMAQHXBV-UHFFFAOYSA-N 464.521 4.353 10 10 JICE CCOc1ccc(NC(=S)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)cc1 13543473 HWSNJSSPPILWTJ-UHFFFAOYSA-N 482.694 4.389 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702383 MVHRELOAXGMVLE-FHAGJXEFSA-N 468.575 4.232 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 34798926 LJXRRLNDGKFZQK-XDJHFCHBSA-N 464.616 4.269 10 10 JICE CCOc1ccc(NC(=S)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54430623 LTNAMLHNTSCVSX-QFIPXVFZSA-N 475.680 4.318 10 10 JICE CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 96477498 HOSGZHMKMAMHMC-ZSOIEALJSA-N 495.782 4.380 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1c[nH]c2ccc(F)cc12 97595331 FWAZRMRQKZQODK-RGVLZGJSSA-N 471.554 4.396 10 10 JICE CC1CCN(c2ccc(CNC(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)cc2)CC1 731402359 XRUQQOVYFBHYGZ-QHCPKHFHSA-N 471.623 4.197 10 10 JICE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C(=O)c1ccccc1 1081112808 GDLYURZCHNACFD-UVTDQMKNSA-N 451.310 4.333 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(CCCOc4ccccc4)n4ccccc34)CC2)cc1 1858335466 AHOJIMKHMCSTPC-UHFFFAOYSA-N 470.573 4.317 10 10 JICE CC(C)COC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858855694 LOVYDKLPQZJKJN-UHFFFAOYSA-N 473.485 4.079 10 10 JICE O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccc(O)c(O)c1 1860169188 ILAMCTANQKFRMG-MHZLTWQESA-N 499.567 4.132 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5c(c4)OCCO5)c4ccccc34)[C@@H]21 1860347554 WOWUCUAUYLYWSB-MUUNZHRXSA-N 494.551 4.198 10 10 JICE Cc1ccc(-c2csc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860751684 SRKXJKZCNXJDCJ-UHFFFAOYSA-N 467.506 4.471 10 10 JICE CCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259007 RMUFODOYHBJVEK-OAQYLSRUSA-N 464.393 4.249 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864014609 ZFFDQHZGQIDMJY-HXOBKFHXSA-N 490.604 4.475 10 10 JICE COc1cc(C)c2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(O)c2c1 1866508345 CKPPCUGFDCCXQR-XMMPIXPASA-N 462.594 4.280 10 10 JICE CNC(=O)COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016998 HAAMGZCRDCNUML-UHFFFAOYSA-N 478.593 4.144 10 10 JICE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873420424 LYSIGDKDBQEKRI-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CCN1CCc2cc([C@H](N)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106848597 KOHFGGCTIVWTMY-RPLLCQBOSA-N 450.627 4.238 10 10 JICE CCOC(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 2297365342 SPWAWRMUWMBTHU-UHFFFAOYSA-N 457.573 4.347 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c1 2313557394 CAZWQMBJUUOTBD-UHFFFAOYSA-N 468.824 4.192 10 10 JICE O=C(CCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)O)cc1 2314827601 IKZMSXQINFKPCZ-UHFFFAOYSA-N 451.529 4.096 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3SC)c3ccco3)CC2)cc1 38598132 JHYFIASUEWNACB-JOCHJYFZSA-N 451.592 4.303 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4cccc(F)c4)[C@H]3C2)cc1 104916971 GGYKJRAVXHYOPE-XNMGPUDCSA-N 475.564 4.027 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1 526436167 GDILEFJPWDBNOX-DEOSSOPVSA-N 461.470 4.375 10 10 JICE O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 915864844 DHUPMPYTSUFOLI-DEOSSOPVSA-N 455.518 4.262 10 10 JICE Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccc(C(C)(C)C)cc3)ccc21 1858033706 JMQATCUIYTUNSC-UHFFFAOYSA-N 464.543 4.461 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864013582 DDSGDELGYYDVMS-JOCHJYFZSA-N 494.567 4.053 10 10 JICE CCCCc1ccc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866435344 MVPJUZFGCMSUDP-XMMPIXPASA-N 457.578 4.190 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912854 FCIVWXUBWJCNSR-JWQCQUIFSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4c(C)cccc4C)cc3)CC2)cc1 1872722959 FRWRFDKPKHDUDK-UHFFFAOYSA-N 466.603 4.402 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873420996 BPKGOZHYGDYLJM-UHFFFAOYSA-N 485.632 4.304 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080030582 OTEJLJBXJRYYPL-CYBMUJFWSA-N 481.256 4.173 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(CO)c1I 2080052323 LQIZXPFJTSHMNC-LBPRGKRZSA-N 454.230 4.321 10 10 JICE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 2084780992 WWGQBFREQXMIMA-UONOGXRCSA-N 451.814 4.249 10 10 JICE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCCN1C(=O)OC(C)(C)C 2224849749 ZAILZCZTQQXJPN-KRWDZBQOSA-N 460.619 4.398 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1N1CCCC1 2293722830 GTBJFRJENLINHM-UHFFFAOYSA-N 454.324 4.024 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 2313558794 JZSHKOUBOMYAIF-UHFFFAOYSA-N 462.502 4.245 10 10 JICE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(CCCOC)C2=O)CC1 2314648362 XRELIVRUNZMQGC-UHFFFAOYSA-N 499.658 4.252 10 10 JICE O=C(NC1(C(=O)N2CCc3cc(O)c(O)cc3C2)CC1)OCC1c2ccccc2-c2ccccc21 2319274243 FWTZCGRCKAECFS-UHFFFAOYSA-N 470.525 4.054 10 10 JICE CCN(CC)CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 33423501 UMILWKDKWMXRKH-FMQUCBEESA-N 453.589 4.117 10 10 JICE Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(C)n1-c1ccc2c(c1)OCCO2 110821146 DFLKRLOBHXIFLY-UHFFFAOYSA-N 451.498 4.093 10 10 JICE COC[C@@]1(CNCc2cc(Cl)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 708111884 YBJBXEKXVANAJZ-IBGZPJMESA-N 463.800 4.314 10 10 JICE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)cs1 1705622218 BATXDDQZSKTMDI-UHFFFAOYSA-N 460.607 4.252 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860651080 JPHHMZCHDHYGPD-WOJBJXKFSA-N 484.618 4.483 10 10 JICE CC[C@](C)(NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862208978 XIPSUJXUBYYLIO-NDEPHWFRSA-N 481.637 4.105 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Cc2ccccc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 1866063069 XGAGNWGTQHBNBN-UHFFFAOYSA-N 452.488 4.477 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)COc2cccc(Br)c2)N2CCCCC2)cc1 1866134559 DNGOLQHJWAJNTK-QFIPXVFZSA-N 460.416 4.237 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Cl)c(C)c3)CC2)cc1 1873535187 NSGDDYXHLAXLRR-UHFFFAOYSA-N 461.953 4.078 10 10 JICE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297499954 ALHTZKAXAQSVJF-UHFFFAOYSA-N 484.020 4.479 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1ccc(C(=O)O)cc1 2297734925 OBCZGQFSICTOQR-QGZVFWFLSA-N 450.436 4.292 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC 2313549531 YPZSWMHDEJKUSZ-UHFFFAOYSA-N 473.323 4.140 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 2314760522 KUXMVHIOVJFATB-UHFFFAOYSA-N 457.573 4.383 10 10 JICE O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 6189137 TTZPMUQVCIUTAR-PDGQHHTCSA-N 470.323 4.210 10 10 JICE Cc1cc(C)cc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 20356390 IUKQFKWIDQKJGG-INYGCOGDSA-N 476.606 4.247 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)c(C(=O)O)c3)CC2)cc1 33006971 DIUOBHDKYQCFQU-UHFFFAOYSA-N 495.601 4.138 10 10 JICE CCN(CC)c1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33453572 LMJBXGBGILHEHO-RBYWHNRPSA-N 466.632 4.374 10 10 JICE COCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 39836113 AWQCDRZDENDSFP-CPNJWEJPSA-N 481.599 4.260 10 10 JICE O=C(COC(=O)CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)NC1CCCCCC1 96297893 TWPNBZYJSWHZDV-FRXBQNMSSA-N 472.632 4.216 10 10 JICE CC(=O)N(c1ccccc1)c1nc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cs1 1621382554 PONJXJZOGLZHDP-UHFFFAOYSA-N 458.534 4.232 10 10 JICE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705685434 ZJDMGNFVWGXICZ-UHFFFAOYSA-N 483.414 4.282 10 10 JICE COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)c(OC)c1 1857991476 FYHJGXCLFAKNNZ-UHFFFAOYSA-N 451.548 4.205 10 10 JICE CC(C)CCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858845653 XZTZORCBNQERBE-UHFFFAOYSA-N 487.512 4.469 10 10 JICE CCNC(=S)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)C1 1860667587 GBHSDXJQDHQLIW-QGZVFWFLSA-N 459.637 4.363 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028447 VDAAROKGLJAHQA-RCDICMHDSA-N 494.979 4.341 10 10 JICE CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370848 LUNZBKJOHDJAKF-BJKOFHAPSA-N 471.045 4.258 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868661862 VCFTYZABMKFZEI-KVMXLORXSA-N 463.622 4.151 10 10 JICE CCN(CC)CCN1C(=O)C(NC2CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165464 KGKWGVNTNSOFHG-UHFFFAOYSA-N 462.638 4.438 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873165551 NPKSORNXMJBKRV-UHFFFAOYSA-N 492.664 4.065 10 10 JICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419528 JKQUJNMOADNMDD-XMMPIXPASA-N 471.557 4.474 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C(C)(C)N(C)C(=O)OC(C)(C)C 2074371533 PRNQDRXMVOSGRV-LJQANCHMSA-N 450.624 4.120 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNCc2cccc(Br)c2O)C1 2163253815 LYMJJKXLCXTMEL-CHWSQXEVSA-N 453.299 4.290 10 10 JICE COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)c1 2296938858 BUJSAMFUZQZADQ-UHFFFAOYSA-N 479.533 4.082 10 10 JICE COc1ccc(CCNC=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 2297735020 MQPUWPOUCSHLPN-UHFFFAOYSA-N 476.480 4.295 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1C 2313571549 YSRKFOWPRANKTR-UHFFFAOYSA-N 494.139 4.200 10 10 JICE CC(=O)N1CCN(c2ccc(CNc3ccc(Br)c(C(F)(F)F)n3)cc2)CC1 1642666281 ASZJEWJARIFBOL-UHFFFAOYSA-N 457.294 4.144 10 10 JICE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(CC)CC)cc1 1705669076 BICSQZSMMYHPTQ-KAYWLYCHSA-N 465.642 4.205 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c4c(c5ccccc53)CCC[C@@H]42)cc1 1858183583 LUGZBRUKWYFPPW-QHCPKHFHSA-N 451.592 4.205 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3Cl)CC2)cc1 1861913432 BNVGZCUZXNRZSI-VWLOTQADSA-N 477.992 4.039 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862294265 QFMOUDKPAADABR-MHZLTWQESA-N 471.601 4.002 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871489972 BFTGYUXWPIWQFL-UHFFFAOYSA-N 496.059 4.358 10 10 JICE COCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162034 CRPBEQQDQCALQE-UHFFFAOYSA-N 482.584 4.134 10 10 JICE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873170179 QJGBMHAAULCWHT-UHFFFAOYSA-N 494.680 4.312 10 10 JICE COc1ccc(NC2(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CCOCC2)cc1 1874179419 CXQMPPGRHOCFAE-UHFFFAOYSA-N 456.498 4.070 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031119 GGQXXYXIVQKNLJ-INIZCTEOSA-N 467.351 4.288 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CCN(Cc2ccccc2)CC1 2225793678 ZAGRCZBMEFWGFW-UXHICEINSA-N 456.591 4.284 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297468038 OSLOGJQKGQKJNK-UHFFFAOYSA-N 489.538 4.038 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c1C 2314506218 BXZOUEZQWGIXOQ-UHFFFAOYSA-N 495.582 4.088 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1O 2314764745 LHNWIUAYDGEWEW-UHFFFAOYSA-N 499.795 4.363 10 10 JICE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2314833938 XEGRVKDGGKQAAU-QGZVFWFLSA-N 472.975 4.272 10 10 JICE CC[C@@H](Oc1cccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)c1)C(=O)O 2314931636 PZAWGPRMPMCUHT-MRXNPFEDSA-N 459.505 4.065 10 10 JICE CC(=Cc1cccc(Cl)c1)C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2332085515 RHQQZLMIYXMLQY-UHFFFAOYSA-N 458.901 4.274 10 10 JICE Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(=O)n2c1 33451851 QETGAICUGFLGRF-ATVHPVEESA-N 497.623 4.220 10 10 JICE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33561261 UCJMDYNKGHYDDP-OOBSADONSA-N 471.882 4.085 10 10 JICE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 102994378 KCJANJYNEUPMRD-MGSLXVHVSA-N 461.027 4.415 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc(C)ccc2C(=O)O)C1=O 210494601 IVYXWCGXOABFSN-DYCZJJFASA-N 452.557 4.479 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1Cl 1084644970 HUBXSYRUVLSCRL-JAIQZWGSSA-N 495.894 4.340 10 10 JICE COC(=O)c1c(NC(=O)c2csc3ncn(C)c(=O)c23)sc(C)c1-c1ccc(C)cc1 1860401173 CVABTJINRZVJPN-UHFFFAOYSA-N 453.545 4.379 10 10 JICE CC(C)CCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826704 JJFWWTAAHSPFOW-XDHOZWIPSA-N 474.604 4.297 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033325 XIWVQVMEAQIKED-QHCPKHFHSA-N 490.604 4.248 10 10 JICE CCCCOCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166325 LOALVDIVIKTUSV-XMMPIXPASA-N 479.621 4.149 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080003493 NMYRSTCUTQQJMC-LBPRGKRZSA-N 454.308 4.258 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080053506 JACDGTYVFUCMQM-AWEZNQCLSA-N 463.266 4.092 10 10 JICE COc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2296946561 RTHQUKSLYCQFNB-UHFFFAOYSA-N 463.921 4.418 10 10 JICE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 2297341026 HBVKSXYPNPACGX-UHFFFAOYSA-N 482.587 4.401 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 2297341064 NYBVIXPRHNPKJS-UHFFFAOYSA-N 498.586 4.101 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1c(O)cc(O)cc1O 2308895195 DOLBFICBHVCZBD-QCMNRSGXSA-N 473.481 4.200 10 10 JICE O=C1C[C@@H](N2C(=O)C(=Cc3ccc(F)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314832629 KMHUCBFWVRYDJC-OAHLLOKOSA-N 480.464 4.378 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc(C)cc3)c3ccccc3)CC2)cc1 2328563184 XMTOSCZCVHYVLW-MUUNZHRXSA-N 469.585 4.223 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@@H]1CC=C[C@@H]21 20702858 KRVAYLSJLVDCIZ-KHCICDEESA-N 450.535 4.213 10 10 JICE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)CC(C)(C)C 35962107 AGNXYGFPLYIMAO-QFIPXVFZSA-N 473.017 4.267 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413177 GKRZUGLMFGBKNM-DEOSSOPVSA-N 486.959 4.313 10 10 JICE CCCCOc1ccc(/C=C2/SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc1OC 208339180 LGQVSHUIVMYSLG-DJKKODMXSA-N 470.503 4.353 10 10 JICE CC[C@H](C(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(Cl)cc1 1868835758 VJOUWRPVLSOAPT-ZEQRLZLVSA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868936160 RTVDHZYNRHBEAK-IRLDBZIGSA-N 469.601 4.208 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164256 SIJGENVEJQISSI-UHFFFAOYSA-N 485.613 4.312 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2106715781 BMFUANQBIBNZBM-HXUWFJFHSA-N 460.619 4.302 10 10 JICE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2196995146 PYBUEYIHTZZKFC-RLWLMLJZSA-N 474.646 4.191 10 10 JICE CCN1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 2294276900 JIZKYLTUGTUTPI-UHFFFAOYSA-N 451.935 4.400 10 10 JICE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)ccc1Br 2296594543 WJOYPQXPUVTLNR-UHFFFAOYSA-N 458.312 4.007 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 2296754059 XYDORVULCZGAEJ-UHFFFAOYSA-N 468.560 4.182 10 10 JICE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2297499713 XMHNPNZNFVOPKY-UHFFFAOYSA-N 488.617 4.288 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)C(=Cc3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 2297533896 CYDYCQWEZBNCPV-UHFFFAOYSA-N 458.268 4.340 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2313558855 LIHFHVXVNAEOFF-UHFFFAOYSA-N 451.435 4.134 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 2314488684 MIFDGUVOAUJKHL-CALCHBBNSA-N 498.626 4.116 10 10 JICE CCN(CC)c1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 2323809145 AKOQLAHPLOSSJZ-LJQANCHMSA-N 456.589 4.136 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2341827855 AYZOMPXRLRPYAK-NJDAHSKKSA-N 462.635 4.168 10 10 JICE CCOC(=O)C1=C(CN(C)c2ccc(OCC)cc2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 20214599 SKFCXNFPLWTNPB-XMMPIXPASA-N 467.566 4.180 10 10 JICE COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659051 FRZOICPWIMOTMD-QHCPKHFHSA-N 494.551 4.232 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454496 LIYVHCHJOIQPGR-RVZJCZPVSA-N 466.632 4.202 10 10 JICE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066397 DTCGRURDCUVDCA-MOSHPQCFSA-N 466.632 4.313 10 10 JICE Cc1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1 729927353 BZCCEZYGICGSSK-UHFFFAOYSA-N 474.435 4.017 10 10 JICE O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859498697 MLMWKEMPCLGJBD-UHFFFAOYSA-N 466.493 4.257 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)CC4)nc(C(C)C)n3)CC2)cc1 1867951643 VHTKRLHNGIDTAJ-UHFFFAOYSA-N 472.637 4.262 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(-c4ccccc4Cl)n3)CC2)cc1 1869969184 IWLGAVPDQBLFML-UHFFFAOYSA-N 468.989 4.241 10 10 JICE CCCCN(C)C(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951385 COJIFBWYVABWNH-OAQYLSRUSA-N 492.620 4.222 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873170163 PQZPVIDTIRSXPV-UHFFFAOYSA-N 457.574 4.390 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(C(F)(F)F)cc3)CC2)cc1 1873536598 JKAOBAFQMRPPOG-UHFFFAOYSA-N 481.478 4.135 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080042500 HWLIALHRMAUCOA-MRXNPFEDSA-N 482.318 4.039 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)c(OC)c1 2297469448 STEUKRASVJCPRL-UHFFFAOYSA-N 475.530 4.372 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)c(Cl)c4)n3)cc21 11857786 HGFBYDQUQHMNQZ-UHFFFAOYSA-N 493.994 4.408 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 14467349 XXZXFYUVCGZXTD-GSHUGGBRSA-N 494.444 4.462 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 20236700 ARVVOEQTISXXII-BWBREFNUSA-N 481.892 4.417 10 10 JICE COc1ccc(N2CCN(C(=O)c3c(C)nn(-c4cccc(C)c4)c3-n3cccc3)CC2)cc1 20979301 CPGLWLWTJFNQBL-UHFFFAOYSA-N 455.562 4.251 10 10 JICE CC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1)C1CC1 25772212 WAUFVAQPAYIECY-UHFFFAOYSA-N 470.576 4.165 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310971 FGITXPRNTPWCEQ-NRFANRHFSA-N 479.042 4.089 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 207314416 FAXGJYGIQNDIAY-LFIBNONCSA-N 486.600 4.345 10 10 JICE CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)CC12CCCCC2 1301712820 BKXWIGVPINAQPK-UHFFFAOYSA-N 452.647 4.196 10 10 JICE Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCCc3ccc(O)c(O)c3)ccc12 1860257951 NOGWDRLMZQOKIL-UHFFFAOYSA-N 473.525 4.150 10 10 JICE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(I)cc2F)cc1 1860709472 UBFNBFCGFKDXCO-UHFFFAOYSA-N 469.342 4.395 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 1860747754 UWSXPFKEGBJAFQ-UHFFFAOYSA-N 453.476 4.386 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)OCc2ccccc2)N2CCCCC2)cc1 1866050230 JZBKQMDJPBEXGP-DEOSSOPVSA-N 466.626 4.101 10 10 JICE CC[C@@](C)(NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868751621 RLPDQJPFJVZGOP-WFBCFIKKSA-N 470.013 4.386 10 10 JICE CCOC(=O)CCCOc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870795686 YFDGPZWCNDIBQM-UHFFFAOYSA-N 479.577 4.309 10 10 JICE COc1ccc(CCn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1871114716 BXUBRPUMGKYWTR-UHFFFAOYSA-N 498.583 4.319 10 10 JICE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2078992175 KNJYRZPVGINMTP-QGZVFWFLSA-N 452.292 4.165 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc(N)c2C1 2106836756 SEMZZQGLQFOJPN-UHFFFAOYSA-N 460.619 4.398 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1Cl 2293261802 MZLQPBGPFPEWMA-UHFFFAOYSA-N 467.927 4.353 10 10 JICE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 2297366029 YVJJOSNUSJJCHZ-UHFFFAOYSA-N 485.909 4.475 10 10 JICE COc1cc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)ccc1OCc1ccccc1 2323707993 OEFUKQLMODODKB-UHFFFAOYSA-N 484.643 4.198 10 10 JICE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1 2332141291 OIRKWJIVAKOYRT-UHFFFAOYSA-N 467.787 4.364 10 10 JICE CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33458878 UYCHPRHQQKYFRT-FYJGNVAPSA-N 496.658 4.212 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526480731 XLUNZUNYSCPZKL-DEOSSOPVSA-N 491.496 4.349 10 10 JICE CC(C)C[C@@H](NC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1)C(=O)O 1081156831 JXIKKORIONZLLT-LSCADSNKSA-N 454.573 4.322 10 10 JICE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865973363 VCHUJSGTKNXICD-XZOQPEGZSA-N 460.663 4.335 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867366930 OYHQXZSTNKATKH-HSZRJFAPSA-N 471.045 4.258 10 10 JICE CCCCCCOc1cn(CCCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673719 XPQAUQHPKUZGLN-UHFFFAOYSA-N 484.685 4.090 10 10 JICE COC(=O)c1cccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872884547 YCJLALWWXOHZGY-UHFFFAOYSA-N 459.546 4.056 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 2296754909 QODMWTPCMUTCMR-UHFFFAOYSA-N 468.560 4.182 10 10 JICE Cc1cc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl 2296933414 LBVUNMVSXZOKSW-UHFFFAOYSA-N 467.884 4.334 10 10 JICE CCC1=NN2C(=N)C(=Cc3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 2297463086 DBVWLBGDGRNBFH-UHFFFAOYSA-N 457.515 4.447 10 10 JICE CC(C)c1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 2330156638 OKEPGZDFYBQIQF-UHFFFAOYSA-N 493.585 4.199 10 10 JICE COc1cc(NC(=O)c2cc(Br)ccc2Cl)c(N2CCOCC2)cc1OC 20496326 NBXDKIRCHNNGDS-UHFFFAOYSA-N 455.736 4.209 10 10 JICE COc1ccc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1OC 33764386 FSVDUJZFBZFBAM-BKUYFWCQSA-N 457.983 4.458 10 10 JICE CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(O)cc21 85665107 HGQNZTBYUKKJLH-IKPGRFEGSA-N 452.595 4.337 10 10 JICE in-vitro CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)C1 1540938177 VWUCXNZCJYTONH-LXFBAYGMSA-N 492.668 4.064 10 10 JICE C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1nccs1 1741008561 SCKHTLWCEZCPTP-LQATUXICSA-N 468.652 4.408 10 10 JICE CCN(C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12)c1cccc(C)c1 1858244074 DHKAVOLZGHLWNH-UHFFFAOYSA-N 497.599 4.280 10 10 JICE CCNC(=S)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)C1 1860667713 JGXPWJVVQPQCAD-QGZVFWFLSA-N 459.637 4.445 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)CC2)cc1 1866308772 JQUNVTWNJJIODN-UHFFFAOYSA-N 469.541 4.075 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419674 PEPAKLNJWJLTAN-JOCHJYFZSA-N 485.540 4.194 10 10 JICE COCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420152 KHMPRQMCOGPTAH-UHFFFAOYSA-N 459.546 4.331 10 10 JICE Oc1c(F)cc(Br)cc1CNCCc1cccc(I)c1 2289540636 FLWHBZNJXWFNMG-UHFFFAOYSA-N 450.089 4.231 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 2294244401 DUISTVSWODOTSU-UHFFFAOYSA-N 460.515 4.142 10 10 JICE O=C(O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2296705952 CCQNJRDDTYEXTJ-UHFFFAOYSA-N 472.975 4.323 10 10 JICE O=C1C(=Cc2ccccc2Cl)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 2296756275 WBPACDUKDQPTIY-UHFFFAOYSA-N 461.008 4.347 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC 2313548815 GJHIIXWRZRCTKU-UHFFFAOYSA-N 479.714 4.176 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 2314835949 WEPVFFVVRFHFBV-UHFFFAOYSA-N 450.541 4.355 10 10 JICE O=C(COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NC1CCCCCC1 9441085 TWPNBZYJSWHZDV-BTXLNPSKSA-N 472.632 4.216 10 10 JICE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCCC[C@@H]5C)c(C)c34)CC2)cc1 10013148 HYKAIRGCOZEOOL-KRWDZBQOSA-N 465.623 4.350 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(SCC)=NSC4=NC3=O)o2)cc1 20114679 PIVJPFKQSODQCL-OTLVRQKTSA-N 454.533 4.453 10 10 JICE COc1cccc(C2=NN(C(=O)COc3ccccc3C=O)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413229 MLYJBAMZZGZFSK-VWLOTQADSA-N 457.530 4.330 10 10 JICE CN(C)c1oc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 1084336622 SOEODDXAUAGECM-POHAHGRESA-N 473.110 4.081 10 10 JICE CC[C@](C)(NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862215321 GNTFYOKDGKGRKL-KMRXNPHXSA-N 481.637 4.220 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4ccccc4)n3)CC2)cc1 1867972367 VJOIEBRCLMEDHY-XMMPIXPASA-N 473.621 4.220 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969584 FOSBIZCZJOKMNZ-UHFFFAOYSA-N 496.615 4.401 10 10 JICE CCCCOc1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)cc1 1873534386 BWGBMPGOGRTOGQ-UHFFFAOYSA-N 485.588 4.295 10 10 JICE CCOC(=O)Cn1cc(C=C2C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2294262209 XKEMFCAFGBIENZ-UHFFFAOYSA-N 495.988 4.421 10 10 JICE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(Cl)cc12 2313682775 KMJGTIKYLFSIRC-UHFFFAOYSA-N 468.916 4.332 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)cc1 13497237 MHNCNEAYEIKRDF-UHFFFAOYSA-N 469.570 4.295 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15046968 NKIINNAAOQXSDW-FFCYNSPCSA-N 463.378 4.383 10 10 JICE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454506 JLWBIPJQDLBZNR-DEDYPNTBSA-N 466.632 4.203 10 10 JICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 33498106 YILALMHIAAYXNG-UAFUQJIBSA-N 450.585 4.292 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 33780706 VCCGVLUXEKGODZ-SDXDJHTJSA-N 472.636 4.067 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCc2ccc(O)cc2)cc1 205965330 MCCBDRFXBAYABX-JJIBRWJFSA-N 472.501 4.166 10 10 JICE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccn3)ccc21 1858055572 OKCXUMPQQRGUNJ-UHFFFAOYSA-N 469.950 4.066 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2ccc3c(c2)OCO3)c1 1860510307 RXZHDNUQULZPRK-UHFFFAOYSA-N 491.459 4.090 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1862213343 UCUCBCNIKDTGAS-OAQYLSRUSA-N 481.637 4.005 10 10 JICE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014410 UNSBBMLDZAGOLA-HSZRJFAPSA-N 496.567 4.478 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)c2nccn2C)cc1 1866045212 GZPKZMWHBUBAJZ-DEOSSOPVSA-N 453.546 4.258 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867947694 UVNIWXSJHXXXLA-VXKWHMMOSA-N 473.621 4.016 10 10 JICE COC(=O)C=Cc1ccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c([N+](=O)[O-])c1 2053539704 QJXZUEMKORVLHN-KRWDZBQOSA-N 452.442 4.354 10 10 JICE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079126406 XGPNFHYWSLFFFT-QGZVFWFLSA-N 456.324 4.486 10 10 JICE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079979836 VOKVHJQHRIVNKA-KRWDZBQOSA-N 467.351 4.422 10 10 JICE CN[C@H](c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccnn1Cc1ccccc1 2286069314 XQPMAUHJZMYVDF-RUZDIDTESA-N 461.610 4.297 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(F)c4)c(OC)c3)C(=O)NC2=S)cc1 2293438551 KNINGLIMXHYIHF-UHFFFAOYSA-N 492.528 4.253 10 10 JICE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc(SC)cc1 2294061057 BQFZTNWEOFCOOG-UHFFFAOYSA-N 453.560 4.341 10 10 JICE Cc1ccccc1C(=O)NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2296740093 BOONXUQFERZUGR-UHFFFAOYSA-N 485.590 4.458 10 10 JICE O=C1C(=Cc2cccc(Br)c2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 2296881653 UPRFZWDAJRKJQE-UHFFFAOYSA-N 491.432 4.066 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2297482105 FWAZRMRQKZQODK-UHFFFAOYSA-N 471.554 4.396 10 10 JICE COc1cc(C=C2C(=O)NN(c3cccc(F)c3)C2=O)cc(Br)c1OCC(C)C 2297578166 SXYPKRRNYINSQT-UHFFFAOYSA-N 463.303 4.093 10 10 JICE CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)s1 6359946 IKFRFQRQRJNBHZ-LFIBNONCSA-N 490.632 4.230 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33673407 UTBPSPAIKHECJY-XDHOZWIPSA-N 480.615 4.235 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1 39920758 VXRCUTGOTSYORL-HSZRJFAPSA-N 495.377 4.192 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 100300270 BPSWRVXHMCJRDA-KGENOOAVSA-N 456.454 4.419 10 10 JICE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 103040648 JGVPUDIQKQPONY-KGENOOAVSA-N 465.600 4.127 10 10 JICE O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 170551580 MRHQIONYNXGPML-UHFFFAOYSA-N 481.580 4.469 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OCCC(=O)O 210465068 IJGRBMDVXRFGBI-NDENLUEZSA-N 489.571 4.362 10 10 JICE CCOc1ccc(S(=O)(=O)N(CCF)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586253753 LRJGISCJESRTJL-UHFFFAOYSA-N 453.491 4.026 10 10 JICE CC(C)(C)OC(=O)N[C@](C)(CC(=O)O)c1cc(Br)cc(Br)c1O 687754760 FZHCKPQZSJTTKI-OAHLLOKOSA-N 453.127 4.132 10 10 JICE Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(Br)o3)C(=O)NC2=S)c1C 1084303298 DREAKYDWVGATCA-WDZFZDKYSA-N 484.169 4.253 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc4oc(=O)c5c(c4cc3Cl)CCCC5)CC2)cc1 1860269910 KCWBNYJWGIPULW-KRWDZBQOSA-N 496.991 4.450 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012422 ZNBGJXARNQIWLC-JOCHJYFZSA-N 494.979 4.058 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864015999 YFGWFQZMAOCRRJ-CZUORRHYSA-N 482.503 4.020 10 10 JICE CC(C)NC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946089 RAUPPYASOKLFCV-VWLOTQADSA-N 490.604 4.286 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168778 JHIXOFNVZZSNBT-QFIPXVFZSA-N 475.614 4.247 10 10 JICE COCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420116 JHMVMAYVOANYRE-UHFFFAOYSA-N 473.529 4.051 10 10 JICE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C(=O)O 2079938159 CYLOHOLWLCWTNQ-MRXNPFEDSA-N 454.308 4.460 10 10 JICE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2313533095 XFELXTPMMIOCFV-UHFFFAOYSA-N 458.517 4.434 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 2313560143 KWODFTQFKZJFOY-UHFFFAOYSA-N 450.347 4.408 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1182345 IYOYAAPEUKIOPP-XNTDXEJSSA-N 455.785 4.314 10 10 JICE Cc1ccc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)c1 20356391 GPNYDDREEMRQQE-YKYBXDQRSA-N 476.606 4.247 10 10 JICE C/C(=C1/SC(Nc2cc(C(=O)O)cc(C(=O)O)c2)=NC1=O)c1ccc(Br)cc1 39869958 PSVYJPUBAMQORA-DHDCSXOGSA-N 461.293 4.318 10 10 JICE C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586672344 WZKKTDMPIYMYPK-IAGOWNOFSA-N 483.524 4.355 10 10 JICE CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O 1082544999 QKDQHDMWVRBVTR-JLMDMGSGSA-N 471.535 4.263 10 10 JICE CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCCCCO)C1 1741028364 XICPNRIRRFNSQE-DEOSSOPVSA-N 492.668 4.210 10 10 JICE CCN(CC)CCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858596226 QBXMAAKVYSTHQN-FOWTUZBSSA-N 473.458 4.487 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccccc1F 1860344910 HCGJWOZQXLNPGF-UHFFFAOYSA-N 466.516 4.420 10 10 JICE O=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860553396 FLIJWNUBUBUORE-UHFFFAOYSA-N 479.467 4.430 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)c(C)c2C(N)=O)sc(C)c1-c1ccccc1 1860767827 JPCFJDJWAVXTDB-UHFFFAOYSA-N 485.587 4.255 10 10 JICE CCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866564263 BDNFUZCSMZDJCQ-SFHVURJKSA-N 461.905 4.048 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868481194 MLNNMWKOCLKJMZ-UHFFFAOYSA-N 489.535 4.157 10 10 JICE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685193 ZOPZPOXAHIAOAW-UIOOFZCWSA-N 463.622 4.213 10 10 JICE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106810647 VDODTLHPWVPHOS-QGZVFWFLSA-N 460.619 4.255 10 10 JICE CCOc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 2297346730 QSBZDSSDDCPYPT-UHFFFAOYSA-N 465.344 4.253 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)o2)cc1 2314433818 UTJCMOZABSJTSF-AWEZNQCLSA-N 450.563 4.205 10 10 JICE COc1ccc(CCN2C(=O)C(=CC3=Cc4cccc(OC)c4OC3)SC2=S)cc1OC 2314450782 RWDMUYDBDFCROC-UHFFFAOYSA-N 469.584 4.475 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2314509202 SXWYYXIZLJQTCY-GOSISDBHSA-N 493.610 4.484 10 10 JICE COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 20356374 XLMAIMRTNOLKCN-MRKXPFMVSA-N 462.579 4.084 10 10 JICE Nc1ccccc1C(=O)OCCCCCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O 31375135 LNGCJIMMQCMQFL-UHFFFAOYSA-N 474.513 4.128 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc21)NCc1ccco1 33330412 VNFFFCOHXJRFCF-BKUYFWCQSA-N 468.469 4.057 10 10 JICE CCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 33532965 FNOISRIOYUNBHL-FMQUCBEESA-N 465.600 4.448 10 10 JICE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33781530 KTXBBWXLGARFMD-WOJGMQOQSA-N 468.579 4.365 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 34798847 VCEFYXNPNPMOHI-OBGWFSINSA-N 474.652 4.313 10 10 JICE CC[C@@]1(c2ccc(/N=N/c3ccc([C@]4(CC)CCC(=O)NC4=O)cc3)cc2)CCC(=O)NC1=O 215745146 TWJPHIGWZZVDIV-GLISXSIZSA-N 460.534 4.271 10 10 JICE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 1083978656 JOMCLPLYOYWUOP-PDGQHHTCSA-N 480.492 4.384 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccc(F)cc3[nH]2)sc(C)c1-c1ccccc1 1860767015 SUFPIGPENISMQF-UHFFFAOYSA-N 494.548 4.213 10 10 JICE COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(C)cc1 1866205072 SNLLYXUYSPOZFG-UXHICEINSA-N 478.570 4.033 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)(C)C)CC4)nc(C(C)C)n3)CC2)cc1 1869093134 PRVLZUIUPRHNOU-UHFFFAOYSA-N 466.674 4.103 10 10 JICE COCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870619996 ZUSVBAUUUYDLAH-UHFFFAOYSA-N 491.632 4.103 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873167014 OLTAJVIIZRWZIC-UHFFFAOYSA-N 457.574 4.499 10 10 JICE COc1ccc([C@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)c(O)c1 2080054899 XCGYVHNRDDEGNI-KRWDZBQOSA-N 468.335 4.135 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)c1 2294093824 SUHPZMXZWAUUNC-UHFFFAOYSA-N 450.292 4.215 10 10 JICE COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2313559639 IUTHHMWLPOLCAZ-UHFFFAOYSA-N 451.276 4.277 10 10 JICE Cc1cc(C)cc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 2313564990 KRWRIFLGFJGHIK-UHFFFAOYSA-N 474.380 4.090 10 10 JICE CCOC(=O)c1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)c1 2314731662 FQEHGGVACAPYCQ-UHFFFAOYSA-N 459.545 4.295 10 10 JICE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314741007 RRHZAMPEMKGUTK-JTQLQIEISA-N 474.398 4.009 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323808857 JFAAWEMNOIKKFJ-SNVBAGLBSA-N 482.830 4.216 10 10 JICE CC(=Cc1ccccc1Cl)C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2332085469 MTRGIAWSDHGUSL-UHFFFAOYSA-N 458.901 4.274 10 10 JICE CCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106574 IIEKYFRZPCUWIE-UHFFFAOYSA-N 477.605 4.215 10 10 JICE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 9259573 OCXBGHNELHAQDE-HMAPJEAMSA-N 472.501 4.392 10 10 JICE CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)sc2c1 9848216 FGPWERHXOVQVRW-LJQANCHMSA-N 480.634 4.269 10 10 JICE Cc1c(C(=O)Nc2ccccc2Cl)sc2nc3n(c(=O)c12)N=C(c1cc(O)ccc1O)CS3 20485338 WWMWNQLJIYDHGA-UHFFFAOYSA-N 498.973 4.441 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)ccc1OCC(=O)O 33317799 YJPCBXKFZPSKMO-XFFZJAGNSA-N 481.313 4.137 10 10 JICE COc1cc(Br)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O 33458289 PTYLJYONPXRPEF-AUWJEWJLSA-N 467.322 4.477 10 10 JICE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066820 RMZPXRANKIGBCF-NDENLUEZSA-N 482.631 4.280 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 210712418 GHPCIHYNOZYYKA-CPNJWEJPSA-N 472.588 4.338 10 10 JICE Cc1cc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)c(C)n1-c1ccc(F)cc1 251085494 SOXIHUINCJYERO-WVZRZZCNSA-N 490.560 4.102 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3[nH]c4ccc(Br)cc4c3Cl)CC2)cc1 742919372 HBOJEODHEDNIID-UHFFFAOYSA-N 491.817 4.144 10 10 JICE BrC1=CCCN(c2nnc(Cc3cccnc3)n2CCCSc2nccs2)C1 1748634710 JCNWZSLGZREPQK-UHFFFAOYSA-N 477.457 4.392 10 10 JICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016399 OBXYNBSISVCEFB-QHCPKHFHSA-N 496.567 4.229 10 10 JICE COC(=O)c1c(NC(=O)CN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866217502 MKOPHQLCELBKBH-UHFFFAOYSA-N 476.554 4.291 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867774353 CRIVFJVQFVTIIA-UIOOFZCWSA-N 464.654 4.385 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCCCCC3)n4CC(C)C)CC2)cc1 1873550965 VBFMPEIUIYBQIE-UHFFFAOYSA-N 490.652 4.439 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c(OC)c1 1873933278 MFWIEKXTDYSVIM-NDEPHWFRSA-N 496.567 4.444 10 10 JICE Cc1c(I)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1CN=[N+]=[N-] 1887536399 YUOHSMWRJGDSPA-UHFFFAOYSA-N 457.316 4.467 10 10 JICE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2040499488 ZQGVGGRIHXDETR-KRWDZBQOSA-N 494.642 4.495 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)c(O)c1 2080002478 YHGOUOUHTOKTPK-SFHVURJKSA-N 456.324 4.207 10 10 JICE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2201347455 DXKSNBDKSUMNDQ-QLXKLKPCSA-N 472.630 4.303 10 10 JICE CCOc1ccc(Br)cc1C=C1C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 2294216460 FYWWPGZGEFCRJO-UHFFFAOYSA-N 459.365 4.296 10 10 JICE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccccc1 2294229318 KCDMMEJWVNWSJU-UHFFFAOYSA-N 452.333 4.071 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297451652 UAXMPAGMKZQCJC-UHFFFAOYSA-N 490.589 4.230 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 20236691 DBCQQSREKADJEJ-TVRHKFALSA-N 451.866 4.408 10 10 JICE COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 35624310 BPAHTSLPFSGIOL-GZQZNAIASA-N 459.545 4.130 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c1 35625073 LABBEOKSKNCITN-QGOAFFKASA-N 456.545 4.014 10 10 JICE O=S(=O)(/C=C\c1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 96747802 NIDUEQSGYRRQGD-SEYXRHQNSA-N 450.488 4.178 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCc2ccccc2)cc1 205962056 LEZDWYMJDKAFRN-HKOYGPOVSA-N 456.502 4.461 10 10 JICE CN(c1ccc(CNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1)C1CCCCC1 727032236 HBOQRBUFOFCKJT-UHFFFAOYSA-N 454.537 4.198 10 10 JICE CC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866573865 XDRSXHMYXDEANK-QFIPXVFZSA-N 479.536 4.409 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1 1868879074 UZUBMKIXTNHDIZ-RXFWQSSRSA-N 481.612 4.037 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1869140802 JELCDWFCWJFGAY-VWLOTQADSA-N 473.621 4.422 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4sccc4C)n(-c4ccccc4)n3)CC2)cc1 1869970675 NUGMHOVHWGZSGP-UHFFFAOYSA-N 474.590 4.225 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871686887 RZBFHEPWGVCIOS-UHFFFAOYSA-N 497.594 4.065 10 10 JICE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426211 QPLGFPDAHIGBHB-UHFFFAOYSA-N 493.567 4.455 10 10 JICE Cc1cc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2c3c(c(=O)oc2c1)CCC3 1874016149 BGKLFSMSENTYSR-UHFFFAOYSA-N 479.488 4.383 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Oc2ncnc3[nH]cnc23)cc1 1874179834 RKVZVBSHFMSUDM-UHFFFAOYSA-N 461.437 4.173 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080011949 HZGLXTRABQHMEN-KRWDZBQOSA-N 470.307 4.413 10 10 JICE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 2297469591 TYUFQWUMTHBIFQ-UHFFFAOYSA-N 460.581 4.005 10 10 JICE CCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 1810125 KCIIBXYDSBHRKJ-VHEBQXMUSA-N 472.975 4.021 10 10 JICE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(OC)c(OC)c3)ccc21 15962480 ZPMFNKUHYKHYME-UHFFFAOYSA-N 498.693 4.008 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 40567333 PROUAIIWSWQTHQ-FBKCMUNRSA-N 464.546 4.262 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1 101993303 ZQGXSFNTQSGUMY-BHIFYINESA-N 471.896 4.344 10 10 JICE COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)cc1OC 210421407 ICXPEQNVUKIIGJ-ZHZULCJRSA-N 473.572 4.001 10 10 JICE O=C1C(O)=C(c2cccs2)[C@@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526501879 QVJILFFVLQBXIM-JOCHJYFZSA-N 450.516 4.053 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)[C@H]2C1 1468671074 XEJNQOIKXKYPQE-BULFRSBZSA-N 458.400 4.233 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccc(C)cc3)c3ccccc3)CC2)cc1 1861943638 ZIJRYTPTTUNYDO-MUUNZHRXSA-N 471.601 4.143 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969651 HLIRMQMZRRFGFL-UHFFFAOYSA-N 496.615 4.482 10 10 JICE O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2294229426 SHXMRBWVTZTQFL-UHFFFAOYSA-N 499.523 4.358 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 2296696722 UULWILGBCVQMEN-UHFFFAOYSA-N 490.654 4.293 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCC(C)CC3)nc12 2314414390 XVANZZYMXGNANB-VMWRSERWSA-N 498.674 4.374 10 10 JICE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)C2=O)cc1 15051152 OBYGGANZUNBNAO-FNTDYBJHSA-N 492.500 4.247 10 10 JICE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 20208592 PWQPFELJVCHGQD-NWECJKKASA-N 490.010 4.067 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 33642488 BGBBHXAZGCYGSZ-CPNJWEJPSA-N 468.937 4.439 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc5ccc(C)cc5s4)CC3)CC2)cc1 90507439 XDVZOWIHVPZQOX-UHFFFAOYSA-N 450.608 4.179 10 10 JICE O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 97595333 TWXXIUIVSMBGSK-RQZCQDPDSA-N 456.932 4.286 10 10 JICE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cccc(OC)c4)c3)C(=O)N=C2S1 102916596 RDTNZGCAXCKURY-YNUQAMOLSA-N 450.520 4.182 10 10 JICE COc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)CC2)cc1 915337657 HLCVEJWWEDDRLB-UHFFFAOYSA-N 462.472 4.417 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1084653939 ZQDVWCCPTJCLAM-MOSHPQCFSA-N 476.533 4.023 10 10 JICE COC(=O)c1c(NC(=O)CC[C@H]2CCC(=O)N2)sc(C)c1-c1ccc(Br)cc1 1866204200 UNGGGUAPIDYPFU-CQSZACIVSA-N 465.369 4.270 10 10 JICE CC/C(=C\C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866683968 IQJLMNVWSHPGTH-HVESIFNPSA-N 482.536 4.407 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(N[C@H](C)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873168076 IILWYONQWOZHLV-GOSISDBHSA-N 492.620 4.183 10 10 JICE COCCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420451 PAGARBGWOIPAHF-UHFFFAOYSA-N 489.572 4.340 10 10 JICE CSc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422117 HEEAOUMHHCVWDQ-UHFFFAOYSA-N 488.613 4.144 10 10 JICE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 1892010111 HTNGZUKVQUEVCC-UHFFFAOYSA-N 474.398 4.446 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079856276 RDGLALGBZCEVRX-AWEZNQCLSA-N 480.224 4.423 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C[C@@H]21 2163175794 DSPZLHXIANERAX-DJPFJPOOSA-N 472.630 4.302 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1(CN)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2194938611 SCLQXWBENIAGIG-ZEQRLZLVSA-N 464.654 4.387 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 2293250264 DSBZNOZRPWLNBB-UHFFFAOYSA-N 467.821 4.183 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 2297334362 UZZYXIJGYPZHMV-UHFFFAOYSA-N 493.313 4.400 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 2297624480 ULFJQLSSJVEDBS-UHFFFAOYSA-N 458.539 4.414 10 10 JICE O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314827871 OHIGVDNDGGBGBY-UHFFFAOYSA-N 484.599 4.441 10 10 JICE O=C1C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 15050824 FONDPDSSWDCAGI-AVIKPIRVSA-N 462.474 4.239 10 10 JICE CC(C)c1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 33319555 JDWGBLQCLZOULH-CJLVFECKSA-N 465.644 4.360 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(I)c1O 38185293 SWRBTWPBBKKVFR-ZSOIEALJSA-N 492.269 4.211 10 10 JICE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1 586663573 NEJUJRZJGRIXPJ-IRXDYDNUSA-N 483.524 4.355 10 10 JICE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)N(C)C)cc1 1858594271 SAQMTBOWCPAEQM-DBRLUCFCSA-N 458.605 4.217 10 10 JICE COCCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C)n2)C[C@H]1C 1868480440 AOJKASNWJVKSAX-KDURUIRLSA-N 499.615 4.240 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccccc3)C3CC3)C(C)C)CC2)cc1 1868684629 WCBPZKKQBOIYRG-XNMGPUDCSA-N 463.622 4.069 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869099704 AUDOHFRFZYPAPD-SANMLTNESA-N 486.664 4.428 10 10 JICE NC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)S2)CC1 2053497002 SBHVDRCWZZTTDA-UHFFFAOYSA-N 450.347 4.421 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2079855982 OEVFPEBFYRTJPN-QMMMGPOBSA-N 484.212 4.007 10 10 JICE O=C(O)CN1C(=O)C(=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 2294507856 WAOLXANKWPHENJ-UHFFFAOYSA-N 479.366 4.196 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1OC 2297347762 ZUMCZCNRHQKWDK-UHFFFAOYSA-N 477.517 4.392 10 10 JICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314741004 RLVZHAUFOVXWJP-UHFFFAOYSA-N 474.398 4.011 10 10 JICE O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NCCc1c[nH]c2ccccc12 103040716 YUNAOOIRAGJZLO-YBFXNURJSA-N 455.992 4.381 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1O 1644658095 YIXBQWCTXFZFKH-HNNXBMFYSA-N 452.979 4.239 10 10 JICE CC[C@H](NC(=O)[C@@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868839344 YTPUVTWRXBOJEJ-GOTSBHOMSA-N 458.002 4.086 10 10 JICE CC[C@@](C)(NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868953264 ARRVZMHEXACHDA-AREMUKBSSA-N 472.029 4.305 10 10 JICE CCCCCCOc1cn(CCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673621 STCNIOZLECAXTJ-UHFFFAOYSA-N 485.669 4.301 10 10 JICE COCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420600 RMPIJCHRMQFGEO-UHFFFAOYSA-N 487.556 4.109 10 10 JICE CN(C)Cc1cc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1952276575 LRUGEGIUAMVUDH-NDEPHWFRSA-N 474.557 4.378 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2080003847 RWBZDLHQSHFGKW-KRWDZBQOSA-N 458.340 4.453 10 10 JICE COc1ccc(O)c([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2140603531 QXBXOFRUWVODHX-FPOVZHCZSA-N 455.599 4.173 10 10 JICE CN1CCCc2cc(CNC3CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C3)ccc21 2287636520 IYQGLZBBTJTLFA-UHFFFAOYSA-N 474.646 4.015 10 10 JICE NC(=O)c1c(NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)sc2c1CCCC2 2293039514 HHEHNNXWYYJUBB-UHFFFAOYSA-N 477.658 4.017 10 10 JICE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1=Cc1cc(Br)ccc1OC 2294037475 ISKRPBWKLRSBMJ-UHFFFAOYSA-N 488.334 4.352 10 10 JICE CCN(CC)c1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 2295968104 RIEUEWFIUVBSCJ-UHFFFAOYSA-N 465.579 4.234 10 10 JICE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1OC 2297347759 ZOJSUIKJDNHJMX-UHFFFAOYSA-N 463.490 4.002 10 10 JICE O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1)Nc1ccc(Br)cc1F 2297498497 OWZWVAUIOLAGKW-UHFFFAOYSA-N 467.341 4.095 10 10 JICE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2314650373 CPFGCPWVUMQYQK-UHFFFAOYSA-N 488.638 4.338 10 10 JICE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314837394 RVCHQUCCVBDAOC-ZDUSSCGKSA-N 488.587 4.037 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934565 IHIUPGXCZFPLBR-OAHLLOKOSA-N 487.599 4.390 10 10 JICE CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 15046724 MMUYXTBKOFUDIY-CQLSMYGBSA-N 458.561 4.028 10 10 JICE COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c1 20356541 BNVVVRSNJZZZCD-ADKREUBMSA-N 492.605 4.174 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(I)c1O 33448438 SXFZMAFYSPOUSQ-RIYZIHGNSA-N 487.340 4.390 10 10 JICE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39989752 HKLDJAAJYQNNNR-LMYOCQABSA-N 472.680 4.388 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc(Br)c4)c3[N+](=O)[O-])CC2)cc1 40611251 ONAHQRZXQJYCKX-UHFFFAOYSA-N 485.342 4.226 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C\NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 102918866 SHQOBSHXLWPFNZ-ACSCQMAMSA-N 466.950 4.273 10 10 JICE O=C(CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 210672466 SYSHYQZKAVEHJY-OQLLNIDSSA-N 467.450 4.454 10 10 JICE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1 917474307 YLLAJKLFLCXBBK-NRFANRHFSA-N 460.977 4.427 10 10 JICE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705685558 CMOJAHCJHMDBJE-IBGZPJMESA-N 460.420 4.317 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2OC)sc(C)c1-c1ccccc1 1860747764 VJZZFUGWXYCGSL-UHFFFAOYSA-N 468.531 4.495 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015998 YFGWFQZMAOCRRJ-CJNGLKHVSA-N 482.503 4.020 10 10 JICE Cc1sc2nc(C(=Cc3ccc(N4CCOCC4)cc3)C(=O)N3CCCC3)nc(O)c2c1C 2053614646 DEIRHRXIDSTNOV-UHFFFAOYSA-N 464.591 4.013 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(CO)c2I)cc1C 2079843185 DUVZDQGHTJMEJI-HNNXBMFYSA-N 450.267 4.485 10 10 JICE CCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2296715273 CCHAEAOENKUFSI-UHFFFAOYSA-N 450.589 4.226 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl 2297341362 UQIWDYOCKNQBML-UHFFFAOYSA-N 478.888 4.300 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 2297364173 PFTPTRJTIJHIQN-UHFFFAOYSA-N 468.325 4.305 10 10 JICE COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2297465516 SITBSXPDEXRZDH-HNNXBMFYSA-N 457.573 4.345 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2314415027 VAJQLKRGCBSQKX-KRWDZBQOSA-N 486.663 4.375 10 10 JICE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314741252 XAIBTUXGLXRPSZ-UHFFFAOYSA-N 471.600 4.471 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314760875 MOLCFXYRXHAORG-UHFFFAOYSA-N 458.399 4.392 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152228 PUYLUOCLAYQJMZ-RGEXLXHISA-N 499.570 4.392 10 10 JICE C[C@H]1CN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C[C@@H](C)O1 586717797 FSNRLKVSMBXZPD-CALCHBBNSA-N 483.524 4.355 10 10 JICE Nc1ccc(NC(=O)Nc2cc(I)cc(I)c2)cc1 690390391 LKRBGMOEHNSGME-UHFFFAOYSA-N 479.059 4.122 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccc(C)cc1 1860760644 BKOVDXUXBUSLPB-UHFFFAOYSA-N 452.532 4.082 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865027295 GBYLSSZHVKDMLM-XMMPIXPASA-N 490.604 4.303 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1cccc(Cl)c1 1865679620 WPEJQDAFNKBNJA-MLPAPPSSSA-N 453.760 4.368 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)C(C)(C)c2cccc(Br)c2)c2nccn2C)cc1 1866062066 ZWRKVOCZVNTULS-HXUWFJFHSA-N 455.400 4.432 10 10 JICE CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867055688 BWKYOYKJQMFEGL-NHCUHLMSSA-N 452.510 4.099 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422353 SDLNFZOPINJABF-UHFFFAOYSA-N 470.573 4.039 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O 2296025107 NLKLMKNSNRHULV-UHFFFAOYSA-N 455.344 4.254 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1nccs1 2296881473 JJROHSZEYLEWRC-UHFFFAOYSA-N 454.396 4.136 10 10 JICE C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)C(=Cc2cccs2)SC1=S 2296885451 VNSGDEYDWXKDRT-LBPRGKRZSA-N 459.593 4.317 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(SCc5ccco5)o4)C(=O)N=C3S2)CC1 2297353193 SSMVUIDTCIPZQJ-UHFFFAOYSA-N 455.565 4.473 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400628 ONRIZTRJHIJLQZ-IRXDYDNUSA-N 486.663 4.008 10 10 JICE Cc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)s1 2314488747 NMMJHTYBOUWZRB-UHFFFAOYSA-N 466.613 4.342 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 34871869 ZJNWUYBXRDZEPZ-XDJHFCHBSA-N 496.662 4.093 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c3ccco3)CC2)cc1 38598230 KNWRAHZXBTZWMV-JOCHJYFZSA-N 484.940 4.143 10 10 JICE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2/C=C2\SC(=S)N(C)C2=O)CC1 40562588 BLVOWCIWECGFPM-UYRXBGFRSA-N 455.605 4.154 10 10 JICE NC(=O)c1ccc(Nc2ccc(Nc3ccc(C(N)=O)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 196425786 GUSFDLABRTZGAI-UHFFFAOYSA-N 476.492 4.147 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]32)cc1 253562366 DEOYJWHXYVZVBN-VXNXHJTFSA-N 465.505 4.307 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)[C@H]2C1 1638301667 PPCVGPSCZXIWHU-HSQYWUDLSA-N 458.400 4.233 10 10 JICE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)CC1 1858591715 WSUUSZXJJJNFEI-RVDMUPIBSA-N 455.399 4.271 10 10 JICE CCOC(=O)c1c(NC(=O)C2(C(=O)O)CC2)sc(C)c1-c1ccc(Br)cc1 1866033477 UYJWTTXTIGCLJE-UHFFFAOYSA-N 452.326 4.466 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc3c(n2Cc2ccccc2)CCC3)c2nccn2C)cc1 1866251732 FKHONGMGVCQAAQ-SANMLTNESA-N 453.590 4.344 10 10 JICE CCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867837422 AKLZMLSUJGAAJK-JWQCQUIFSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867969884 ILWUNLRVOSLRPQ-UHFFFAOYSA-N 472.637 4.009 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868695667 DAWAOPRYYQQBCS-SANMLTNESA-N 465.638 4.413 10 10 JICE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546296 JWVUBFMHCHHLCN-UHFFFAOYSA-N 464.614 4.049 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)CC2)cc1 1874753898 LARLYLAQDXNFJW-UHFFFAOYSA-N 487.556 4.071 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2041762805 GAMINWBNUDKWPK-UHFFFAOYSA-N 464.362 4.314 10 10 JICE CN1CCCc2cc([C@H](O)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106827559 DXXQWYDANDZRLG-IGKIAQTJSA-N 451.611 4.272 10 10 JICE CC(C)(C)OC(=O)NC1(c2csc(=NCc3cc(Br)cc(F)c3O)[nH]2)CC1 2232523241 AGWYIKXUKBKIJK-UHFFFAOYSA-N 458.353 4.298 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1Cl 2297347632 PHIGSEMBDWIGBC-UHFFFAOYSA-N 453.882 4.257 10 10 JICE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297352843 BDDBKDOHERWPGK-UHFFFAOYSA-N 475.574 4.125 10 10 JICE CCOc1ccc(OCC)c(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 2297534502 BYJPEBPKRJWBPJ-UHFFFAOYSA-N 475.364 4.078 10 10 JICE Cc1c(N2C(=O)C(=Cc3cn(C)c4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 2314600248 UJNPAPBYFKLMIB-UHFFFAOYSA-N 460.584 4.382 10 10 JICE O=C(C=Cc1ccco1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 2318781748 ZNULUZJSFJBXFC-UHFFFAOYSA-N 463.449 4.354 10 10 JICE CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N=C3O)c2C)sc2c1CCCC2 96797883 KLJSOFSABVNDIP-WJDWOHSUSA-N 471.604 4.308 10 10 JICE O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 100712989 AGXRBKWRGPQNOH-TXYDOONASA-N 455.518 4.262 10 10 JICE CCc1nn2c(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470285 CRTUHXBSAVJQIL-ZFAUJUEXSA-N 475.481 4.202 10 10 JICE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCOCC1 226725266 MHIZRKNXZNZECY-JLHGSKIFSA-N 455.352 4.454 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN2CCCC2)sc(C)c1-c1ccc(Cl)cc1 1860758245 HVNADQBGMMNECU-UHFFFAOYSA-N 492.041 4.484 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008674 PLAXZZNBFMMVGS-HSZRJFAPSA-N 474.561 4.044 10 10 JICE CCC[C@@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868841452 FURXDDADWIAKDN-FTJBHMTQSA-N 465.638 4.377 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162289 OFIQORKQAXGONO-VWLOTQADSA-N 487.575 4.324 10 10 JICE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079048792 WHJGFKVRIORCTK-ZDUSSCGKSA-N 451.230 4.492 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2296716197 IGZRAKXJUFXRJB-IYBDPMFKSA-N 494.642 4.480 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2297334352 IYOYAAPEUKIOPP-UHFFFAOYSA-N 455.785 4.314 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(F)c4)n(-c4ccccc4)n3)CC2)cc1 2331396442 YPLHGBLXDYSYDR-UHFFFAOYSA-N 498.562 4.394 10 10 JICE O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639570 DAUSAVXFFABPLT-YZIHRLCOSA-N 462.571 4.445 10 10 JICE COc1ccc(O)c([C@@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 21659044 WBTSOTMEBXKFQB-DEOSSOPVSA-N 494.551 4.232 10 10 JICE Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)c2cc1C 33006117 RTHNXWSQMRWMAB-UHFFFAOYSA-N 454.574 4.366 10 10 JICE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2ccccc2s1 211945523 NLXHXZCUQMUOBD-LICLKQGHSA-N 471.585 4.153 10 10 JICE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccccc1F 1082768951 BLMZCXBEPOAFCX-HYARGMPZSA-N 474.517 4.462 10 10 JICE CC(=O)c1ccc2c(c1)CN(C(=O)CCN1C(=O)/C(=C/c3ccc(F)cc3)SC1=S)C2 1129661850 NKHVLVZNJPTNAX-JMIUGGIZSA-N 454.548 4.162 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@@H](C)C2 1349305722 ZFQKLFBLTQDWKS-HUUCEWRRSA-N 456.564 4.050 10 10 JICE CCOC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860343523 FJTFVSSDMYNYTQ-UHFFFAOYSA-N 492.535 4.390 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864013871 HWAKTTGNAYMUHT-OAQYLSRUSA-N 468.598 4.190 10 10 JICE CC[C@](C)(NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890397 CEOYUVPXXXVMRI-LJAQVGFWSA-N 499.567 4.196 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867850927 JZKWWEHMOAWWDG-JWQCQUIFSA-N 468.617 4.134 10 10 JICE C[C@@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1868147830 UTMTUGWWXSNKHQ-CQSZACIVSA-N 491.341 4.083 10 10 JICE CCCCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871114101 JXRGKWIQZAIQKE-UHFFFAOYSA-N 451.567 4.392 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419457 GAQJCNDSDPUWKR-QHCPKHFHSA-N 499.567 4.236 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NC[C@H]3CCCO3)nc12 2053515852 MVAUEOTUEDXOHI-QGZVFWFLSA-N 484.647 4.128 10 10 JICE COc1ccc([C@H](n2nc(C(F)F)c(CO)c2I)C2(C)CC2)c(O)c1 2079874938 MGHGALFIKQRLKV-AWEZNQCLSA-N 464.250 4.021 10 10 JICE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C(N)=O)c2I)cc1C 2080002348 WGVPONGGRJOJAF-INIZCTEOSA-N 467.351 4.206 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1C 2294093763 MVUNKNIHXPAKLJ-UHFFFAOYSA-N 470.481 4.247 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314400928 RNBONAZXZLEELM-UHFFFAOYSA-N 456.637 4.322 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1Br 2314717786 WUHSIVHKEUKBKU-UHFFFAOYSA-N 463.378 4.312 10 10 JICE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468543 DJVMZUNNPPWANT-RNHFSVANSA-N 470.591 4.478 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CC=C[C@H]32)CC1 14470998 UFMFRVOEBNSNNA-HOIFWPIMSA-N 452.942 4.462 10 10 JICE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl 20208120 MXFYYIYXICBNTN-JGJJTGRPSA-N 496.401 4.022 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 34687696 OWNNNCCYADKWNR-HBDRGQTGSA-N 497.536 4.285 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3c(OC)nc4c(c(C)nn4-c4ccccc4)c3C)CC2)cc1 46006639 NMUGKCKMLONSMG-UHFFFAOYSA-N 499.615 4.336 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310941 SBTJUNDSHIQLQY-ZJSXRUAMSA-N 472.651 4.133 10 10 JICE O=[N+]([O-])c1cc(Br)cc([C@H]2Nn3c(nnc3-c3ccccc3Cl)S2)c1O 59168663 WMJXIBZCWGVGDZ-AWEZNQCLSA-N 454.693 4.323 10 10 JICE CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=N)N4C(SCC)=NSC4=NC3=O)o2)c1 96450639 SQPSGHMWVFCOTF-WQCWKDQBSA-N 454.533 4.453 10 10 JICE COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C/c1ccc(N2CCOCC2)cc1 103288343 JCVPSZVOKHMTIF-HAVVHWLPSA-N 470.525 4.268 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)/C=C/c4cccc(F)c4)CC3)ccc21 1860604455 NZKKWUIOMVGBLI-DHZHZOJOSA-N 482.511 4.492 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccc(C)cc1 1860760650 BOTSRPGWMVQKKX-UHFFFAOYSA-N 454.523 4.255 10 10 JICE COc1ccc(Cn2cc(OCC(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870438156 HPCSGFUIGUSSMO-UHFFFAOYSA-N 491.632 4.271 10 10 JICE COCCN1C(=O)C(NCCc2cn(C)c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162239 LZNCTFUOMYPHQK-UHFFFAOYSA-N 496.611 4.144 10 10 JICE COc1ccc([C@@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079873032 JJISITDKGUTSTM-CQSZACIVSA-N 465.282 4.234 10 10 JICE Cc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 2293677399 UJHTVQRSVPEFMJ-UHFFFAOYSA-N 456.498 4.428 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2294235420 NLLSTAVCSLOOPA-UHFFFAOYSA-N 497.935 4.416 10 10 JICE CCCN1CCCc2cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 2296287793 DHGLIDQHGHGCOF-UHFFFAOYSA-N 468.351 4.278 10 10 JICE CN(C)c1ccc(C=C2SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 2297334790 HWOPUSHOOMYRTI-UHFFFAOYSA-N 473.067 4.387 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O 2297561570 LNRYXCBNAUDZPO-UHFFFAOYSA-N 466.334 4.298 10 10 JICE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1OC 2314926944 WAXXVPDWDPZISJ-UHFFFAOYSA-N 458.561 4.126 10 10 JICE CC(C)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944751 NBBYWMGEFCTEAS-UHFFFAOYSA-N 466.584 4.403 10 10 JICE COCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39835902 PZXNEEOAHNVBOW-XMHGGMMESA-N 481.599 4.341 10 10 JICE COc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 39919751 KKSKDGAEHUBUGI-DEOSSOPVSA-N 480.952 4.091 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccc(C)cc1 1860651402 MJMCCSHSBGRAJW-OALUTQOASA-N 470.591 4.175 10 10 JICE CN(C)c1ccc([C@H](NC(=O)CCCCCC(=O)N2CCCCCCC2)c2nccn2C)cc1 1866198052 SAYVLENGYYUNTB-SANMLTNESA-N 467.658 4.435 10 10 JICE CCN(CC)CCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870437598 WXFLLIZMJGURKA-UHFFFAOYSA-N 498.712 4.336 10 10 JICE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873168182 LVMSNYMRRDGLKY-UHFFFAOYSA-N 492.664 4.066 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C3CC3)C2=O)cc1 1873169189 DIPQJPGVYWDWIR-UHFFFAOYSA-N 465.557 4.045 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080034497 BPLPQQAOVUBEPW-KRWDZBQOSA-N 496.345 4.430 10 10 JICE O=C1C(=Cc2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296728749 MOXDGCZPRIZGHF-CYBMUJFWSA-N 484.418 4.097 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 2297366435 FXQGWDGVUFWCBW-UHFFFAOYSA-N 464.861 4.443 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 2297467995 ZMQXPYILMQDTAB-UHFFFAOYSA-N 471.498 4.186 10 10 JICE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N1CCN(c2ccccc2)CC1 2297554759 YYUHFTUPBSABMB-UHFFFAOYSA-N 469.607 4.156 10 10 JICE CC[C@@H](C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC 2297561473 DYIYZGGQWDWRIC-CQSZACIVSA-N 472.588 4.427 10 10 JICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313682063 UKVYGYASEVUPMF-UHFFFAOYSA-N 480.477 4.057 10 10 JICE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314817679 OFMJXXXWQWUJPA-UHFFFAOYSA-N 496.589 4.262 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4cccc(F)c4)CC3)ccc21 2322183768 NZKKWUIOMVGBLI-UHFFFAOYSA-N 482.511 4.492 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329506819 JARHFTWBBHOIER-NDEPHWFRSA-N 463.622 4.295 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 33762097 PLHISPJJZWSKON-KNTRCKAVSA-N 496.662 4.175 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1 54620968 YEYROHKMHFTDJS-QHCPKHFHSA-N 457.486 4.419 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1 96450577 FJDWEUUGQIFMNX-FNSVQNJISA-N 498.586 4.101 10 10 JICE CCCC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C(=O)[C@H](C)O2 96773134 ORGFYMVOQDYBGF-INIZCTEOSA-N 496.519 4.197 10 10 JICE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 102916510 HXTPLTWAUIQWST-FKODFALISA-N 494.573 4.199 10 10 JICE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1OC 210414535 SZDOMXONDUIQGC-ZHZULCJRSA-N 473.572 4.001 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 226889328 HQSCVUDHUIDMFA-SWYRRKHMSA-N 462.571 4.393 10 10 JICE CCN(CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 731356021 OKDOVOHLGXSIHT-HKBOAZHASA-N 471.617 4.017 10 10 JICE Cc1c(O[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)ccc2c(-c3ccccc3)cc(=O)oc12 1860271511 RHMPXOOSZUBWMO-KRWDZBQOSA-N 459.498 4.306 10 10 JICE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3F)c3ccccc32)SC1=S 1860827466 ZJGAYVNBALNTQJ-ZCXUNETKSA-N 476.938 4.072 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864018470 LRMXVCFEXBXLMU-OXQOHEQNSA-N 456.587 4.046 10 10 JICE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865033851 IXIPACAKMVXULY-DYVFJYSZSA-N 494.514 4.065 10 10 JICE CC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866616967 OXXJFCOLIAHEAP-HSZRJFAPSA-N 477.520 4.400 10 10 JICE CCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900405 XALSNDMXBLNJEU-CLJLJLNGSA-N 464.654 4.303 10 10 JICE COC(=O)c1cccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872872187 KNPDGNHIKLKOQP-UHFFFAOYSA-N 460.530 4.023 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873170318 VIIAQQFCLMFGQM-UHFFFAOYSA-N 492.664 4.066 10 10 JICE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C1CCn2c1nc1cc(C(=O)O)ccc1c2=O 2053606937 ZWKZJAIJHKQLCP-UHFFFAOYSA-N 450.857 4.326 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2163089665 NJABXANVMLJKRU-OAQYLSRUSA-N 472.630 4.446 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@H](C(F)(F)F)C1 2163267921 CZOZJGCRAKKARL-WCQYABFASA-N 453.299 4.290 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2296713550 IMBJNQHZDZZQMN-UHFFFAOYSA-N 497.436 4.422 10 10 JICE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335586 WBEKNKOUGPQWGM-UHFFFAOYSA-N 488.550 4.122 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2314837065 NSTPMJRHJBUMBW-CQSZACIVSA-N 470.572 4.100 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)C(=O)O 2314926163 CJALQRBNTXABRQ-INIZCTEOSA-N 457.529 4.341 10 10 JICE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1 14551957 FLGGRQHYTBXWJZ-LGVFNWMJSA-N 455.649 4.171 10 10 JICE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 15050930 XEGRVKDGGKQAAU-LVSMMTLPSA-N 472.975 4.272 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33776804 SOWDMWLNZDJJMZ-XVIKKCDJSA-N 457.490 4.467 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413178 GKRZUGLMFGBKNM-XMMPIXPASA-N 486.959 4.313 10 10 JICE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NCCN/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 104080081 FBEGYYAFSDCXLT-JZTLMNBPSA-N 497.386 4.086 10 10 JICE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 213149400 RGUCSCGSOXJFLN-HJHGFDQJSA-N 493.610 4.429 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(Cl)cc3)N3Cc4ccccc4C3=O)CC2)cc1 1860218655 DVWYLRIMKWCTOF-SANMLTNESA-N 490.003 4.265 10 10 JICE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012762 IVCCIJMPAWZGGT-NRFANRHFSA-N 496.995 4.168 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cc(Br)cc(F)c3n2)c2nccn2C)cc1 1866525115 RZENNZZGKVVNBD-HXUWFJFHSA-N 498.356 4.161 10 10 JICE CC[C@](C)(NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164806 WANQPFXRNVGQKL-NDEPHWFRSA-N 494.507 4.049 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873167860 APZYQVQBERFKID-UHFFFAOYSA-N 493.611 4.293 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C(C)C)C2=O)cc1 1873169290 IRQSMBJHAADANN-UHFFFAOYSA-N 467.573 4.291 10 10 JICE CC(C)(c1ccc(O)c(O)c1O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952601573 KYIQFIUQGWZKQT-HSZRJFAPSA-N 463.486 4.073 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2053509210 PROUAIIWSWQTHQ-CQSZACIVSA-N 464.546 4.262 10 10 JICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(C(=O)OC)c1 2313683226 UZBBPIZAMBSVQY-UHFFFAOYSA-N 469.497 4.397 10 10 JICE CCCC[C@H](NC(=O)C=Cc1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330592137 BBHOETXPDSDOHN-SANMLTNESA-N 479.621 4.131 10 10 JICE Oc1cc(O)cc(C[C@@H]2c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1 3780272 SJCXTMZZGQRDQF-DENIHFKCSA-N 488.492 4.394 10 10 JICE biogenic COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C 33398390 BIFQGXYQIHUZDT-JWGURIENSA-N 458.514 4.231 10 10 JICE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2/C=C2\SC(=S)N(CCOC)C2=O)CC1 40562594 IPENSKDIKOXKGC-QNGOZBTKSA-N 499.658 4.170 10 10 JICE COc1cc(O)c2c(c1N)C(=O)c1cc3c(Br)ccc(Br)c3cc1C2=O 205628265 GBRKVAMQVCEIOO-UHFFFAOYSA-N 477.108 4.437 10 10 JICE Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c(C)c1 1084483915 AUBWHIAMTWOXKT-GDNBJRDFSA-N 474.380 4.090 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864010839 PLEODRKCAMDVKS-SZNDQCEHSA-N 496.995 4.499 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030446 JZBMBLDKOYMRQZ-JOCHJYFZSA-N 476.577 4.010 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865032146 WRNMNTKEWLFXPT-DRSNIGMVSA-N 488.588 4.180 10 10 JICE CCCC1=NN(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665771 KSPZXGNQURASIS-HKOYGPOVSA-N 477.605 4.297 10 10 JICE CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865767639 CBSZWSCMPUBHDU-UHFFFAOYSA-N 478.617 4.179 10 10 JICE COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1865888162 MTYOZLQAJMALSH-UHFFFAOYSA-N 462.527 4.362 10 10 JICE CC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866792732 OOJMNRVHPYZHFX-IBGZPJMESA-N 488.565 4.410 10 10 JICE CC[C@](C)(NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867917520 KFVUOJQRSZMZGU-YWEHKCAJSA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1868765160 VHWZSCUVXILRCC-ZBLYBZFDSA-N 489.591 4.219 10 10 JICE CCC[C@@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868931401 ICYPXTJJTRJYSR-AREMUKBSSA-N 492.664 4.113 10 10 JICE CC(C)NC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946088 RAUPPYASOKLFCV-RUZDIDTESA-N 490.604 4.286 10 10 JICE COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)SCC(=O)N2C(C)C)cc1 1891477469 YZMQUISIIXPGIW-CJPRTRIKSA-N 493.673 4.394 10 10 JICE CN(C)c1ccc([C@H](O)[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2008878907 JYIKZFAHRJZCHV-IGKIAQTJSA-N 460.530 4.168 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1F 2296711302 KWPBTAXWJGGWKL-UHFFFAOYSA-N 453.520 4.273 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Cl)c1O 2297352337 NWIHAKVDLVPQCF-UHFFFAOYSA-N 454.788 4.491 10 10 JICE CN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)NC1=S 2313656604 KPFZVTDVDYFFEN-UHFFFAOYSA-N 453.951 4.020 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc(Br)c1O 2314740469 JDCXBBNZSJRWFH-UHFFFAOYSA-N 486.409 4.240 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(OC)c1OC 4662476 GNDYOEDEPJJPBG-PQMXRDJESA-N 456.911 4.033 10 10 JICE CC(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1 11857570 QEPLMCCVYDCPEK-AWEZNQCLSA-N 457.577 4.478 10 10 JICE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 12383806 LIDBKHGKUNZCOW-RGHNQFFRSA-N 492.626 4.248 10 10 JICE COCCCN1C(=O)/C(=C\c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34736640 PHSRTIKWDYPMME-FABDANFUSA-N 494.642 4.414 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 102852198 VUJOYTZSASFDPJ-HIPSJFSSSA-N 494.598 4.035 10 10 JICE CCCCCSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261365346 RNJBWFBVZMEVNT-DEOSSOPVSA-O 464.615 4.398 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526525215 HXBYPPABXHDWGQ-HSZRJFAPSA-N 491.496 4.349 10 10 JICE CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1083892521 AMQHBSOOORFWQT-QPEQYQDCSA-N 467.678 4.307 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3c(C)cc(Br)cc3Cl)c2)CC1 1538714387 IIYPXQYWOVSKBK-UHFFFAOYSA-N 450.764 4.332 10 10 JICE Cc1cc(C)cc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)c1 1859616654 WKPGPIATSQRNSY-UHFFFAOYSA-N 463.493 4.185 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCCCC(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860759117 UZCVLSPCCNAXOP-UHFFFAOYSA-N 480.970 4.253 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011490 IHFVJRQPYHTHOD-QFIPXVFZSA-N 496.995 4.161 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032405 BOQDARUBJIYIET-HXUWFJFHSA-N 482.968 4.062 10 10 JICE CC[C@H](C)[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865838377 AFZGYESCUMAFLG-IZHWHUGBSA-N 496.519 4.120 10 10 JICE CC(C)(NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866910088 QPPUFQPVXFPCPC-UHFFFAOYSA-N 493.519 4.193 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4ccccc4C)n3)CC2)cc1 1869150963 SOYBGKGRIMOFKR-UHFFFAOYSA-N 483.620 4.189 10 10 JICE CCOCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870465767 OSQQFENVECKKGX-UHFFFAOYSA-N 491.632 4.185 10 10 JICE CCOC(=O)c1c(C(C)C)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079999301 WJZFUJDSNOBTSP-LLVKDONJSA-N 458.296 4.111 10 10 JICE CCN1CCc2cc([C@@H](O)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106797483 BCOPWNBNGDEPCQ-SQHAQQRYSA-N 451.611 4.272 10 10 JICE CN1CCCc2cc([C@H](O)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106827560 DXXQWYDANDZRLG-RPLLCQBOSA-N 451.611 4.272 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 2296724122 VUJOYTZSASFDPJ-CQSZACIVSA-N 494.598 4.035 10 10 JICE C[C@@H](C(=O)N(C)Cc1cc(O)nc2ccccc12)N1C(=O)C(=Cc2cccs2)SC1=S 2296885315 OICCTNKROGHVMO-ZDUSSCGKSA-N 469.613 4.250 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(OC)c1 2297347511 CUURAIAKUBOVGJ-UHFFFAOYSA-N 477.517 4.392 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 2297347653 QRPUWWOTZVMKJQ-UHFFFAOYSA-N 451.866 4.408 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1Br 2313549440 WLGIOXRTPIRTPS-UHFFFAOYSA-N 451.276 4.277 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(C[S@@](=O)c4cccc(Cl)c4)o3)CC2)cc1 9115413 ODVNQAKCHINRND-HKBQPEDESA-N 458.967 4.212 10 10 JICE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1cccc(O)c1O)N2 20898566 SJSQSJWLBKJEJP-QHCPKHFHSA-N 494.551 4.238 10 10 JICE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)c(C)c1 32980991 HFAUQFCZJGYSCS-PTLCIYQVSA-N 490.633 4.493 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c2ccccc21)NCc1ccccc1 33301039 JCDGWXFVTONOKW-IWIPYMOSSA-N 492.535 4.460 10 10 JICE CCN(CC)c1ccc(CN(CCOC)C(=O)c2ccccc2Cl)c(OS(=O)(=O)CC)c1 36008701 SPXGWVOPKNTDRD-UHFFFAOYSA-N 483.030 4.204 10 10 JICE CCCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)c1 54311006 WLGRJEFFKZVCRQ-QHCPKHFHSA-N 458.624 4.151 10 10 JICE CC(C)c1cc(NS(=O)(=O)c2cc([C@]3(O)CCC(=O)N3C)ccc2Cl)cc(C(C)C)c1O 101211107 PGKMOQNZLQCYGZ-HSZRJFAPSA-N 481.014 4.491 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)CC2)cc1 104673797 BURXFALQGWTXFS-UHFFFAOYSA-N 469.541 4.075 10 10 JICE CCN(CC)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 256025139 JMGHGIVYNNQPJH-TXTKFYIRSA-N 463.500 4.321 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 1084569554 VIAXQKFRJCOQBA-HKWRFOASSA-N 470.485 4.405 10 10 JICE CCOc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 1084625313 AMQLWPZTPJIGQG-LCYFTJDESA-N 493.354 4.217 10 10 JICE Brc1cc(CNCCN2CCN(c3ccccc3)CC2)ccc1N1CCCCC1 1177204422 QRDVDDISTPKHKR-UHFFFAOYSA-N 457.460 4.351 10 10 JICE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)ccc21 1662564974 NUWSXZJPSDGNJD-SFHVURJKSA-N 457.640 4.005 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2OC)sc(C)c1-c1ccc(C)cc1 1860748664 GTGSICXRZWQXSG-UHFFFAOYSA-N 468.531 4.413 10 10 JICE CC[C@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867155744 WYQVSWZAIAYRML-SFHVURJKSA-N 475.570 4.497 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873165944 XNKVQVNYJVIFME-DVECYGJZSA-N 462.638 4.294 10 10 JICE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881311249 XQKOYYGMPMONQV-TZIWHRDSSA-N 462.635 4.095 10 10 JICE CCOC(=O)c1cccc(N)c1NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2205694164 MFQUCUFYCBWCRD-UHFFFAOYSA-N 480.606 4.056 10 10 JICE COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)ccc1OCCN1CCOCC1 2332105240 LCPLGJRBVHKQFK-UHFFFAOYSA-N 487.959 4.000 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 1302566 DXCAPVIOSGHGFL-QZQOTICOSA-N 465.600 4.208 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnn4c(C(F)(F)F)cc(-c5ccccc5)nc34)CC2)cc1 21922942 OVLIQZKUSZRZCN-UHFFFAOYSA-N 481.478 4.386 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C(O)=NC2=S)cc1 34138119 ZIPXLJPGNHOLEQ-ZSOIEALJSA-N 477.336 4.234 10 10 JICE CC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)[nH]c2ccccc12 38163205 WBNVWCWJVXWNQA-LDADJPATSA-N 495.333 4.116 10 10 JICE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)sc(C)c1C 39793581 XHYGXPFIWUEAMT-YBEGLDIGSA-N 490.628 4.390 10 10 JICE COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 205692130 BMLUTVNZJLDAIQ-QGOAFFKASA-N 457.533 4.224 10 10 JICE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCOC)C[C@H]3CCCN4CCCC[C@H]34)cc12 1614472165 MIOJWYKVOMYQKF-ZJSXRUAMSA-N 456.627 4.472 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5ccccc5OC)cc4n3)CC2)cc1 1858152531 WGQYYQUIBMYNQI-UHFFFAOYSA-N 483.572 4.253 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(CCc4ccccc4OC)n4ccccc34)CC2)cc1 1858342731 XJCLOUUIUFEILU-UHFFFAOYSA-N 470.573 4.099 10 10 JICE C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867925495 FPVZPELUOPRYIW-JTSKRJEESA-N 475.008 4.007 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(C(C)C)n3)CC2)cc1 1867946049 GJDPZKNOTKBYNL-UHFFFAOYSA-N 490.627 4.401 10 10 JICE CCCOc1cn(CCCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657808 RQWATRCSUAYCFU-UHFFFAOYSA-N 484.685 4.090 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873164501 FJCDTMNZYCMQEQ-UHFFFAOYSA-N 467.573 4.293 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873167158 VBJGTKDLUJCFEV-UHFFFAOYSA-N 457.530 4.101 10 10 JICE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421290 PXOSCUCBQFFULB-UHFFFAOYSA-N 472.589 4.246 10 10 JICE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881512363 MVHPIBXSHULIFL-CTNGQTDRSA-N 464.651 4.416 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(Br)cc(F)c2O)C1 1952540012 YLOMBWDPDXMSNZ-DYVFJYSZSA-N 452.276 4.468 10 10 JICE CN(C)C(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1Br 2079217471 IFWXNDRNQJNGDF-UHFFFAOYSA-N 460.172 4.139 10 10 JICE CCOC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079956239 DNRHPYWTGIFBSR-MRXNPFEDSA-N 470.307 4.077 10 10 JICE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)c1 2294265185 FPSIBKJWMNXOND-UHFFFAOYSA-N 487.581 4.411 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC(=O)c1cccs1 2294741880 ZFYSGVAYMKFLDA-UHFFFAOYSA-N 456.364 4.227 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296053600 DOQJOKJBVJSOPQ-MRXNPFEDSA-N 476.627 4.257 10 10 JICE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2296547630 OKYCVBDVSZWLDY-UHFFFAOYSA-N 498.655 4.011 10 10 JICE CSC1=NN2C(=N)C(=Cc3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 2297499681 UOVLIXATTSTFFW-UHFFFAOYSA-N 475.555 4.358 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314829191 ZHWXOKKYRQERJI-UHFFFAOYSA-N 478.349 4.197 10 10 JICE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1 13914988 VBBCQZAJKGABEJ-SXGWCWSVSA-N 459.296 4.146 10 10 JICE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 15035654 JONIGGOFKRLSDB-SXGWCWSVSA-N 498.504 4.268 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 15039541 HIDCXQMIBZWRHC-PDGQHHTCSA-N 476.551 4.169 10 10 JICE COc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1OC 34683941 DSFPILFOVALMMS-UHFFFAOYSA-N 482.602 4.269 10 10 JICE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)c3ccco3)CC2)cc1 38619342 HAMUUSFIYHNFLD-AREMUKBSSA-N 495.645 4.009 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(C)cc3)C2)sc2c1CCCC2 40325345 VVSSPFHJLCCQIO-SFHVURJKSA-N 454.592 4.142 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cc4)c3[N+](=O)[O-])CC2)cc1 40611201 BTKXLWFETURHKJ-UHFFFAOYSA-N 485.342 4.226 10 10 JICE CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 504176212 HFSUURRZUFQZRX-SDHOMARFSA-N 480.520 4.181 10 10 JICE biogenic CCCC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868736297 ZEMOXKKUSGAJKW-QFIPXVFZSA-N 485.650 4.134 10 10 JICE CCC[C@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868954937 XMMQYBBFOAUNNZ-DEOSSOPVSA-N 472.029 4.305 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871495559 YBNYHTFRCJGWII-UHFFFAOYSA-N 496.059 4.214 10 10 JICE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873164473 DBFIRJXBSNOQQR-UHFFFAOYSA-N 473.573 4.391 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCOc4ccccc4)c4ccccc34)[C@@H]21 1873899385 VMBNQPMYUJREKR-GDLZYMKVSA-N 494.595 4.374 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080032325 BZGBXVNDGVSDTE-NSHDSACASA-N 470.307 4.039 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2080037314 ZBVLLNIPQFEQEC-AWEZNQCLSA-N 484.334 4.430 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 2294235502 ZIWGLRNAMKQXPZ-UHFFFAOYSA-N 498.539 4.250 10 10 JICE O=C(O)CCCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2296537345 DWNKPPFBBDSPMH-UHFFFAOYSA-N 466.584 4.450 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1C(=O)O 2296881335 BKVHATJJHRRLSB-UHFFFAOYSA-N 491.388 4.377 10 10 JICE Cc1c(C=Cc2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc2n1C 2297467987 YGIYMLHQWIDMKT-UHFFFAOYSA-N 499.352 4.354 10 10 JICE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313559967 DJKCHZGZLWFMPW-UHFFFAOYSA-N 471.513 4.198 10 10 JICE CCc1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 13980745 CVUUFJXXHRRKOZ-QZQOTICOSA-N 454.346 4.153 10 10 JICE CN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)SC1=S 33457199 GRMAQJBIHFPTAR-XNTDXEJSSA-N 470.391 4.048 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4nc5ccc(OC)cc5s4)c3[N+](=O)[O-])CC2)cc1 40611221 VCFCSEMCYADQSJ-UHFFFAOYSA-N 493.549 4.082 10 10 JICE Brc1cnc(CNCc2ccc(N3CCSCC3)cc2)c(Br)c1 1660965534 VDSJQDFONXGRCY-UHFFFAOYSA-N 457.235 4.450 10 10 JICE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 1772719517 BCIJSHGODJQHGZ-XLUQTGDFSA-N 498.674 4.150 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3c(C)cc(OC)cc3C)sc2CCC(=O)O)cc1 1858034755 FSAHSOQPHVCLJL-UHFFFAOYSA-N 476.576 4.262 10 10 JICE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868686439 QFDHVAPEKYBFPU-NAKRPHOHSA-N 463.622 4.213 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc3nc(NS(=O)(=O)c4ccccc4)sc3c2)c1 1873895908 VFPIPQSRCHBSOV-UHFFFAOYSA-N 452.561 4.415 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(F)cc4)c3)CC2)cc1 1874729650 FUSWREPBPUEKEL-UHFFFAOYSA-N 462.521 4.449 10 10 JICE CC(C)(C)OC(=O)NCCCC1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2134799569 HALQKNUTQHQDHD-UHFFFAOYSA-N 460.619 4.303 10 10 JICE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 2296885182 HLEALHVANBIWGQ-HNNXBMFYSA-N 465.600 4.125 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 2297329328 ZSPQQWNRHGVENO-UHFFFAOYSA-N 451.822 4.483 10 10 JICE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S 2314769754 UXUUQWDVTPMTCJ-GOSISDBHSA-N 458.517 4.196 10 10 JICE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836301 CMWGQMWNWAAIAQ-NSHDSACASA-N 491.388 4.376 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836984 MPPJLKZGPACGQQ-JTQLQIEISA-N 479.377 4.089 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)cc1 2330479890 OZQCWYMLZIWUQO-AREMUKBSSA-N 475.633 4.346 10 10 JICE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147550 KBVYKWNIHXMNSU-UHFFFAOYSA-N 462.477 4.387 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1F 20154753 ZKLUEUHCWVRRAB-GQFJHEMJSA-N 456.524 4.353 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c1O 1176486769 XCYKGEMYDXMPGX-UHFFFAOYSA-N 452.979 4.287 10 10 JICE CCN(CC)CCOc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858862281 CLLVDYQVOYCXKN-UHFFFAOYSA-N 458.518 4.222 10 10 JICE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864015725 DLEYNCWEZCDNIT-QFIPXVFZSA-N 488.588 4.371 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(Cl)cccc3c2=O)N2CCCCC2)cc1 1866073032 YEOOJLBJLQOJMS-JOCHJYFZSA-N 452.986 4.205 10 10 JICE Cc1nc(C(C)C)c(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1867154025 SEXAXOSFEQWZCZ-ZDUSSCGKSA-N 461.543 4.107 10 10 JICE CCC[C@@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868853662 SZXWMYLHBBLRCH-RPBOFIJWSA-N 469.601 4.208 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164045 JKQWBCIQHGZKGY-UHFFFAOYSA-N 452.514 4.152 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873167363 DAALKHKLFZDCCZ-UHFFFAOYSA-N 497.643 4.235 10 10 JICE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873167408 GBZUPMYPXXFTLY-RUZDIDTESA-N 492.664 4.065 10 10 JICE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1c1cc(Br)cc(Br)c1O 1952826177 VJDLHIFOFOVXGK-CABZTGNLSA-N 465.138 4.300 10 10 JICE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)cc1C 2079978705 FVEQCAVAIBHKSW-SFHVURJKSA-N 465.335 4.176 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1F 2296063152 UREJNCSAPJPMQV-UHFFFAOYSA-N 487.516 4.476 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 2314488686 MIFDGUVOAUJKHL-IRXDYDNUSA-N 498.626 4.116 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 2314563206 YTQPNYJHXNCKEY-UHFFFAOYSA-N 455.586 4.453 10 10 JICE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314769716 UNCLZFBCIVSMMK-INIZCTEOSA-N 494.388 4.279 10 10 JICE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]21 2369080064 ALRDBRBFPVVSLF-FVQBIDKESA-N 461.784 4.065 10 10 JICE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 100147508 GXVKJHLFJYIASB-XDHOZWIPSA-N 486.347 4.163 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCc4cccnc4)[C@H]3C2)cc1 245279959 LCQQBSDQSFFKDT-UKILVPOCSA-N 496.533 4.293 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1nc(-c2ccccc2)cs1 1860739196 VXPTWEDMVFIUKW-UHFFFAOYSA-N 453.479 4.163 10 10 JICE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)CC1=O 1865922976 HKSDLQLEMPRGJP-QGZVFWFLSA-N 492.553 4.288 10 10 JICE COCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169571 PLUMEBGAXHHEOQ-UHFFFAOYSA-N 457.574 4.227 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(F)cc4)c3)CC2)cc1 1874729482 XGOURDYUGIKPRD-UHFFFAOYSA-N 476.548 4.377 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052547 NLBVUAABSWOXPL-HNNXBMFYSA-N 470.307 4.197 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)CC1 2180963066 RJGATVZADPPYOC-NRFANRHFSA-N 470.618 4.485 10 10 JICE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 2293591282 GJHJBJDIADNQSF-UHFFFAOYSA-N 481.508 4.395 10 10 JICE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2296740355 YMQGLZFAIZHYFF-UHFFFAOYSA-N 494.747 4.166 10 10 JICE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c(OC)c1 2313541403 GDJQWFGDLBFSOV-UHFFFAOYSA-N 475.570 4.251 10 10 JICE C[C@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=S)cc1)C(=O)O 2313610143 SIUJHRGAGDUHKC-JTQLQIEISA-N 465.314 4.313 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 33291668 JCPPIZGWOPFUPY-WOJGMQOQSA-N 474.380 4.499 10 10 JICE COc1ccc(N2CCN(c3ncnc(NC45CC6CC(CC(C6)C4)C5)c3[N+](=O)[O-])CC2)cc1 40611156 WEJPVTSWELUNRL-UHFFFAOYSA-N 464.570 4.101 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5ccc(C)cc5s4)C3)CC2)cc1 90508388 DWQYBYDCSGYAHA-LJQANCHMSA-N 450.608 4.179 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 103244330 WRQGLEQYJVESQT-BIRLBKGPSA-N 499.552 4.215 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)CC2)cc1 1858129527 FIAYGGMUAAPCKK-UHFFFAOYSA-N 467.569 4.431 10 10 JICE CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860083798 YFDYICXLLXWANU-ZDUSSCGKSA-N 455.492 4.488 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4cccc(F)c4)c3=O)cccc21 1861857768 RYOAWMNZGUUADG-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CSCC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866567020 MTWHZZHHAVRHIN-IBGZPJMESA-N 493.972 4.001 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869285046 LCBFQAGHQGFCHA-IBGZPJMESA-N 499.594 4.465 10 10 JICE CCNC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870973932 RYCOZAWIBFMVHF-UHFFFAOYSA-N 483.572 4.162 10 10 JICE CCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168859 MWBWJUIIQWOIRV-UHFFFAOYSA-N 459.594 4.310 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCC(C)CC3)n4CC(C)C)CC2)cc1 1873550928 SOGCJNWGFUJXOG-UHFFFAOYSA-N 490.652 4.295 10 10 JICE CCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2040398329 BPKFJQWMHWBBIR-UHFFFAOYSA-N 464.616 4.350 10 10 JICE CN(CCCN=[N+]=[N-])C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2060620189 XKDIKAHSCSIFSG-UHFFFAOYSA-N 459.288 4.411 10 10 JICE CC=CC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 2293142379 LHVWZLOQQJPOEM-UHFFFAOYSA-N 475.613 4.464 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1O 2293772164 KBNHNAPIESLYAY-UHFFFAOYSA-N 475.364 4.002 10 10 JICE C[C@H](C(=O)N(C)Cc1cc(O)nc2ccccc12)N1C(=O)C(=Cc2cccs2)SC1=S 2296885314 OICCTNKROGHVMO-CYBMUJFWSA-N 469.613 4.250 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCC(C)CC3)nc12 2314414389 XVANZZYMXGNANB-VJFUWPCTSA-N 498.674 4.374 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OC 2314760805 LNFUZHCEKXDSFN-UHFFFAOYSA-N 474.398 4.011 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 2314832086 ZGSOFXCGFOFTRS-UHFFFAOYSA-N 460.552 4.463 10 10 JICE Cc1ccc(C(=O)O)c(NC(=O)CN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)c1 16922562 FTCHELJHLVBCII-SXGWCWSVSA-N 478.498 4.135 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33780708 TWDCBDLAJFPNBK-CYVLTUHYSA-N 486.663 4.375 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 40324035 HSBGGSOKMLLLGT-MOSHPQCFSA-N 494.598 4.207 10 10 JICE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 108817623 DLVTZIWVRYIWRS-MRCUWXFGSA-N 483.615 4.126 10 10 JICE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCCCC1 211949089 LPGNKEPRISBYQM-DEDYPNTBSA-N 472.588 4.081 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 226697220 QXWUDBBJACCLDB-PMAPCBKXSA-N 488.997 4.011 10 10 JICE Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084405116 UVRKESCBMDZTHA-BKUYFWCQSA-N 492.582 4.410 10 10 JICE COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C1=O)cn2C 1858593965 FXMCGDCYQGEGRD-YBCYLVPRSA-N 452.557 4.084 10 10 JICE CC(C)c1ccc(C=C2SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2297332133 JDWGBLQCLZOULH-UHFFFAOYSA-N 465.644 4.360 10 10 JICE C[C@H]1CN(C(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 2314490505 YLJYJYIFFSORSC-CALCHBBNSA-N 474.648 4.235 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C(C)=Cc3cccc(Cl)c3)C(C)C)CC2)cc1 2330119182 WNYJGSDCWBWZSR-DEOSSOPVSA-N 470.013 4.242 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468747 IVYJJTADMLLOAS-IECBHUPTSA-N 456.564 4.135 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(Cl)c1O 34138260 MPQAXTDVXZRLCA-XGICHPGQSA-N 451.660 4.323 10 10 JICE CCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 39729119 QNUAXVXZQOOEQM-OBGWFSINSA-N 474.652 4.233 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC[C@@H](C)C2)SC1=S 39990054 GWZPOOCGAHODJZ-VUFYJBQKSA-N 458.653 4.286 10 10 JICE CCN1C(=O)/C(=C\c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 83259528 AJDPTVZPAMVKRS-CPNJWEJPSA-N 460.533 4.282 10 10 JICE Oc1cccc([C@H]2C=C(c3ccc(N4CCOCC4)c(F)c3)Nc3nc(C(F)(F)F)nn32)c1 103419081 FVYIQACSNOZWAK-LJQANCHMSA-N 461.419 4.034 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)c1 526480738 XYHGCALZZOZHKT-QHCPKHFHSA-N 461.470 4.340 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)CC1 1286871824 LCNZMJGEKIAPCO-UHFFFAOYSA-N 466.655 4.163 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)c1O 1460535453 ILMQAJOKSYRVPK-UHFFFAOYSA-N 455.864 4.203 10 10 JICE CCNC(=S)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)C1 1860667486 GBHSDXJQDHQLIW-KRWDZBQOSA-N 459.637 4.363 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016395 NXFDSZDDMYNFLV-QHCPKHFHSA-N 496.567 4.230 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)c2nccn2C)cc1 1865918643 CVMZRENGXPNKFF-AREMUKBSSA-N 482.540 4.030 10 10 JICE CCOc1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867541519 ZMNMDEIVXAMXHV-RUZDIDTESA-N 480.653 4.003 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCC(=O)c4cccs4)n(C(C)(C)C)n3)CC2)cc1 1869970951 URYFPXWFQBFIJD-UHFFFAOYSA-N 496.637 4.031 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)CC2)cc1 1872884069 JKVJCOCZZRTXJO-UHFFFAOYSA-N 464.654 4.056 10 10 JICE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)CC2)cc1 1872884575 ZVCQMRIYTHYFFZ-UHFFFAOYSA-N 459.546 4.041 10 10 JICE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)CC1 1873170932 XBUOGSQUTVPMFS-UHFFFAOYSA-N 477.605 4.151 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(I)o1 2294229304 IBVPZHOIUAVYOA-UHFFFAOYSA-N 493.109 4.022 10 10 JICE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314740479 JJVYQOXVTDLGBJ-UHFFFAOYSA-N 474.398 4.098 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 2314831722 QPSJIIAMAIEGJW-UHFFFAOYSA-N 472.588 4.420 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 1266751 WSBWFUVAHOXHOR-MLKPBCHCSA-N 463.628 4.183 10 10 JICE C[C@@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15048825 HBNHHDUASHOUCY-RILYUOAZSA-N 454.396 4.134 10 10 JICE COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665165 HVVXXHZVXLOCAS-VWLOTQADSA-N 488.632 4.063 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1 33417470 MLOBZDQVNFGMEL-HMMYKYKNSA-N 476.627 4.332 10 10 JICE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]23)c1 59443019 SMMJTBMRNQENQR-QQJYNPJZSA-N 465.505 4.247 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 103526673 LATJKRVDFVQKMS-LTGZKZEYSA-N 465.535 4.201 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)sc(C)c1-c1ccc(C)cc1 1860749829 CYIWNTVYEZPSFN-UHFFFAOYSA-N 471.466 4.443 10 10 JICE CCC[C@H](NC(=O)CCCOc1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862228923 BXXLUGIMOKTSIW-SANMLTNESA-N 481.637 4.050 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865031722 MXADQGPDURDWSV-HTAPYJJXSA-N 488.588 4.467 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(Br)cccc4c3=O)cccc21 1866456959 BAGGPELOMVYDKP-UHFFFAOYSA-N 473.282 4.318 10 10 JICE CC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244205 WXRDCXKBBOPQGF-ZHRRBRCNSA-N 480.520 4.056 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3cccnc3)CC2)cc1 1870351769 PZADKVIVYQJYDC-UHFFFAOYSA-N 476.621 4.047 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474456 DNQZZAIXDLJGKI-UHFFFAOYSA-N 495.631 4.335 10 10 JICE COc1cc2oc(=O)c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2cc1OC 1874017797 WWBQAXLOSPHGNU-UHFFFAOYSA-N 483.476 4.075 10 10 JICE Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179041 JPOQLUHJLQHKLR-UHFFFAOYSA-N 453.450 4.203 10 10 JICE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)C1 1892120740 IFJARWCXMOOKTQ-VTKNMLBTSA-N 481.662 4.272 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Br)ccc2O)[C@H](C(F)(F)F)C1 2163255259 WBEJEOICIPHZKY-GXTWGEPZSA-N 453.299 4.290 10 10 JICE CCOc1ccc(NCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2313503054 HUEXQHPQYFTBFC-UHFFFAOYSA-N 460.577 4.382 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1Cl 2313557619 HUBXSYRUVLSCRL-UHFFFAOYSA-N 495.894 4.340 10 10 JICE O=C(c1ccc(Cl)cc1)[C@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@@H]2[C@@]12C(=O)Nc1ccccc12 35882911 YBVJGPLYZAYZHT-MBEZDYHHSA-N 496.950 4.325 10 10 JICE biogenic COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5c(F)cccc5s4)C3)CC2)cc1 90506550 GJIMTTMIMVMUAI-QGZVFWFLSA-N 454.571 4.009 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc(O)cc1 210744209 NXZPIWNPWVEPMU-XDHOZWIPSA-N 458.561 4.204 10 10 JICE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864009828 LGOMJDOYBDALNB-JOCHJYFZSA-N 468.598 4.182 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865028546 WMSURGXOAKSVHN-QFIPXVFZSA-N 494.979 4.343 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4C)n(-c4ccccc4)n3)CC2)cc1 1869970095 FFGDUQJDWHLKQI-UHFFFAOYSA-N 496.615 4.482 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873165869 USTQHULHWVIUFQ-UHFFFAOYSA-N 484.644 4.348 10 10 JICE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080011501 ARZNJDPPOSNRCW-SFHVURJKSA-N 482.318 4.255 10 10 JICE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=O)NN(c3ccccc3)C2=O)cc1C 2297306608 AKKDHDQZOPVRLQ-UHFFFAOYSA-N 473.485 4.131 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14460932 MTIUTFMQKYSOKB-HYFFOGBASA-N 491.407 4.002 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCCC3)nc12 33386446 YCBFJHPEDLGFJR-HEHNFIMWSA-N 490.654 4.437 10 10 JICE O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 108898793 KITXZSGFDPYVSA-UHFFFAOYSA-N 494.595 4.267 10 10 JICE Cc1cc(C(=O)N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C)n1-c1cccc(Cl)c1 108936458 KKFFJFMKRZGQBH-HDICACEKSA-N 458.002 4.236 10 10 JICE O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 727372895 RXILTPWASHBHMW-UHFFFAOYSA-N 471.966 4.230 10 10 JICE COC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 1084599859 JNNDWPYQHXDYFR-MSUUIHNZSA-N 479.366 4.289 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)C(c4ccccc4)c4ccccc4)C3)CC2)cc1 1858369393 MIACPTQNPVGTBO-VWLOTQADSA-N 483.612 4.024 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cccc21 1860595231 AZQATNZAWRPCCU-BUHFOSPRSA-N 464.521 4.353 10 10 JICE CC[C@H](C)OC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827244 VMJIUGLYCGEKDV-BGARDKSCSA-N 460.577 4.049 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(-c5cccc(C)c5)ccc4[nH]3)CC2)cc1 1866562492 OAOWUPPSDDZNEA-UHFFFAOYSA-N 453.542 4.475 10 10 JICE C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867749422 HAHYASKCBSKDJH-WXVAWEFUSA-N 487.648 4.005 10 10 JICE CCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867956707 QROKBYPVMHKJPC-JXMROGBWSA-N 498.675 4.210 10 10 JICE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873165251 KQAXDPIISRUILA-UHFFFAOYSA-N 471.557 4.014 10 10 JICE CC[C@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1cnc2ccccc2c1=O 1874179356 ACVBGKJNNVKFQI-FYSMJZIKSA-N 465.509 4.398 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(=Cc3cc(O)c(O)c(OC)c3)c3ccccc3C2=O)cc1 2040458755 IEVZNISIXKTEPM-UHFFFAOYSA-N 459.454 4.011 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(CN=[N+]=[N-])CC2)cc1I 2124515640 MSGAZYCOEYSIDA-UHFFFAOYSA-N 471.299 4.459 10 10 JICE Cc1c(N2C(=O)C(=Cc3ccc4c(c3)C[C@H](C)O4)SC2=S)c(=O)n(-c2ccccc2)n1C 2296275657 GKZWIQGHBGBQNX-AWEZNQCLSA-N 463.584 4.214 10 10 JICE COCCCN1C(=O)C(=Cc2ccc(O[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc2)SC1=S 2297498108 OFUMYCOWTTZZHM-MRXNPFEDSA-N 497.853 4.136 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C)c(C)c4)n3)cc21 11857511 GKEDEQPQJOKIHY-UHFFFAOYSA-N 457.577 4.363 10 10 JICE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 12470989 NINWHGRBYJVYKT-ONWPUYBOSA-N 477.546 4.132 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 102429404 HYVFOJXXEWNSKB-WOJGMQOQSA-N 459.593 4.319 10 10 JICE COC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)sc2c1CCCC2 103748727 DPUDRYQLBGTUEY-UVTDQMKNSA-N 490.006 4.119 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 210696718 CGYNZAHIHQAKQP-CPNJWEJPSA-N 458.561 4.030 10 10 JICE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCS(=O)(=O)C1 1705711767 SJACCKJMXOCMPN-NRFANRHFSA-N 467.639 4.190 10 10 JICE CC[C@](C)(NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232998 GKBAIVAPBHXOPO-SANMLTNESA-N 488.028 4.141 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862294263 QFMOUDKPAADABR-HHHXNRCGSA-N 471.601 4.002 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@H](CCC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265375 FFIYYADJCJSOFJ-HSZRJFAPSA-N 482.536 4.407 10 10 JICE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871674382 VHXBEQSPZMFMHD-UHFFFAOYSA-N 489.668 4.473 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 2294279969 MHGZSDOILSKVMJ-UHFFFAOYSA-N 483.889 4.348 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296712281 SHKUEBLCGJTJTK-IYBDPMFKSA-N 470.664 4.487 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C(=Cc3ccccc3)O4)CC2)cc1 2297384788 AYQKPHZZJKEGSJ-UHFFFAOYSA-N 455.514 4.030 10 10 JICE COc1ccc(C=CC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1OC 2327320717 QEOWIWXWXWJZFD-UHFFFAOYSA-N 459.546 4.352 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccs4)n(-c4ccccc4)n3)CC2)cc1 2331394752 UUBDGQVFUALACV-UHFFFAOYSA-N 486.601 4.316 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)CC1 14470816 QXWUDBBJACCLDB-PNCHPQGNSA-N 488.997 4.011 10 10 JICE COc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c(N2CCOCC2)cc1OC 20496537 HWNACMWPJLHEGV-UHFFFAOYSA-N 479.371 4.099 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3Br)CC2)c(C)n1-c1ccccc1 62694085 OIRRMULWVSMHRK-UHFFFAOYSA-N 480.406 4.497 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1C 96450487 RMRGQLKJZOKFQO-XYSCVJGBSA-N 482.587 4.401 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526353490 QPMLFUTVEVZKSI-QHCPKHFHSA-N 461.470 4.340 10 10 JICE CC(=O)N(c1ccc(F)cc1)c1nc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 1474291971 QLBMWCFUNDKSJZ-HSZRJFAPSA-N 455.603 4.425 10 10 JICE CN(C)c1ccc(/C=c2\sc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3c2=O)cc1 1860793244 DYHYAAQHKNBDHB-APSNUPSMSA-N 484.425 4.469 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2ccc(N3N=C(C(C)(C)C)CC3=O)cc2)c2nccn2C)cc1 1866182713 XTNQYEWFUFBGNL-XMMPIXPASA-N 472.593 4.144 10 10 JICE CCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871503715 UQRAXABVXWDVDV-UHFFFAOYSA-N 461.614 4.318 10 10 JICE CCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421875 VNHSQSIMCWUJLK-UHFFFAOYSA-N 457.530 4.467 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccccc4OC)cc3)CC2)cc1 1874746420 PCOJEOARZXXVEZ-UHFFFAOYSA-N 474.557 4.318 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3)ncnc21 1875204433 NXQSBDBELBKVGB-UHFFFAOYSA-N 484.604 4.424 10 10 JICE CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079126151 UPJIKDYDACIMKQ-KRWDZBQOSA-N 454.308 4.240 10 10 JICE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106884625 CRAUYDXTNPKAPM-DLBZAZTESA-N 460.619 4.302 10 10 JICE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl 2294095501 UDYWJLUMGPQTAE-UHFFFAOYSA-N 491.327 4.164 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2297334688 WJXDVSAQHFNZNH-UHFFFAOYSA-N 479.945 4.277 10 10 JICE COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 2313548222 PCTLJGXRYPNLLU-UHFFFAOYSA-N 494.139 4.195 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCCCC3)nc12 2314414435 YUFPYHNNEWYILO-QGZVFWFLSA-N 484.647 4.128 10 10 JICE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2314509739 YEDPFFWJHIRVMS-UHFFFAOYSA-N 495.582 4.088 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 33436459 YUWKFRHCCFFCFV-DEDYPNTBSA-N 498.582 4.212 10 10 JICE COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc(OC)c1OC 35624312 BPAHTSLPFSGIOL-JQFNYASXSA-N 459.545 4.130 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 59382228 ZABGUOLEDRRNMH-XDHOZWIPSA-N 488.587 4.160 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413103 TWRZSDWEQRDWCA-IZILLXMLSA-N 499.390 4.060 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCCCC3)cc2)CC1 1638587014 HSMACVRECSAEEI-UHFFFAOYSA-N 451.586 4.304 10 10 JICE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CC=CCC1 1705590216 FOSBIJICUORZIC-UHFFFAOYSA-N 452.606 4.077 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)CC2)cc1 1861915091 YKXXNQVZFTVAAY-XMMPIXPASA-N 463.965 4.169 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029875 XFHUJSAETLCOSQ-QHCPKHFHSA-N 488.588 4.002 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865031390 FUJOBVXZNCSCEL-IIBYNOLFSA-N 474.561 4.077 10 10 JICE CCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235200 LXKUNZPYJGRELR-MZNJEOGPSA-N 494.547 4.446 10 10 JICE C=Cc1ccccc1OCC(=O)N[C@@](C)(CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267030 VUADSALDNRPRIT-LJAQVGFWSA-N 482.536 4.407 10 10 JICE CC[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867935141 HBPCWVWVAIOOCT-DHIUTWEWSA-N 489.035 4.397 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3C[C@H]3CCCO3)CC2)cc1 1870483358 ZSYNIDJJYHBBOP-HHHXNRCGSA-N 495.664 4.317 10 10 JICE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602235 HHSLKZBORZQSJX-UHFFFAOYSA-N 475.641 4.013 10 10 JICE CCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871691400 MFUMIHAREHBPDC-UHFFFAOYSA-N 491.640 4.291 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040498731 OABTYMSOEZRSRE-UHFFFAOYSA-N 474.677 4.029 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c1 2124510995 BDHVHOODVGWITQ-NSHDSACASA-N 471.299 4.411 10 10 JICE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1OC 2297313916 RDQFSQCGSCMJSF-UHFFFAOYSA-N 465.531 4.329 10 10 JICE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 2297349669 XMKULRREGBGIJE-UHFFFAOYSA-N 487.559 4.232 10 10 JICE CCN1C(=O)C(=Cc2cc(C)n(C3CCCC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508986 GLSLKUWWCFPBSU-UHFFFAOYSA-N 483.634 4.148 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4CC)o3)C2=O)cc1 2313553097 FUEOQFUPIGEZEM-UHFFFAOYSA-N 475.457 4.482 10 10 JICE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740758 MSNFQZKSIYCBEE-INIZCTEOSA-N 471.600 4.470 10 10 JICE COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2cc(Br)c(O)c(OC)c2)cc1 2332107445 FOZZBKABBVANAM-UHFFFAOYSA-N 459.340 4.458 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15047284 SHJSQIQIQAULAR-FFCYNSPCSA-N 491.388 4.376 10 10 JICE COc1ccc(CNc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066633 CHXMMNKQKTXDFO-JMIUGGIZSA-N 482.631 4.043 10 10 JICE CN(C)c1ccc(/C=C\CN2CCC([C@@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 210960680 NDDXVURGLVBLMH-JDOLOYGHSA-N 464.585 4.128 10 10 JICE O=C1c2ccccc2C(=O)c2c1cccc2N(CCN1CCCCC1)S(=O)(=O)c1ccccc1 586194295 FMAKXJLJAYZIRP-UHFFFAOYSA-N 474.582 4.143 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1865884000 DITOBNPJPGNSJX-XMMPIXPASA-N 476.621 4.104 10 10 JICE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCO[C@@H](C)C3)n2)cc1 1869333804 FWVXQFAROAAXJM-NRFANRHFSA-N 489.620 4.103 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)cccc21 1874179148 PTYMFSMMVXIKSK-MRXNPFEDSA-N 458.901 4.103 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(N(C)C)cc4)c3)CC2)cc1 1874735367 INPHYGINKZBZCO-UHFFFAOYSA-N 487.600 4.375 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc(N)c2C1 2168776806 CACZAVZXSMWICH-MSOLQXFVSA-N 472.630 4.255 10 10 JICE CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C[C@@H]4CCCO4)C(C)=C3C(=O)OC)c2C)cc1 2294034565 DTCLHNIZXDJKIS-QHCPKHFHSA-N 464.562 4.344 10 10 JICE O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)SC1=Cc1ccc(O)c([N+](=O)[O-])c1 2295971097 JCBRXUWPNCNXJR-UHFFFAOYSA-N 460.515 4.246 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 2296703467 ROCULJZWSQOZGC-OAHLLOKOSA-N 450.589 4.031 10 10 JICE COc1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314833984 YGCGTJXUUGHUGU-IBGZPJMESA-N 464.568 4.175 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 9086886 VNKKWZLZKXSZOJ-XMHGGMMESA-N 470.572 4.102 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14476257 BGQRYFBYZAALOY-XLNZFTOWSA-N 450.539 4.199 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 16455415 NVMLIRJLBXCKNV-RUZDIDTESA-N 485.462 4.485 10 10 JICE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990371 WVXMQHPVKXAFPG-HKWRFOASSA-N 488.679 4.057 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066648 DOGVBCGUSQXQIZ-GNKPEBMXSA-N 482.631 4.186 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@H](c1cccc(OC)c1O)N2 65298255 GDONARAWVVIXRR-JOCHJYFZSA-N 467.566 4.272 10 10 JICE biogenic COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC)c(C)c4)n4ccccc34)CC2)cc1 1858346922 IHIVKFIAGPAINK-UHFFFAOYSA-N 456.546 4.289 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865028796 YGBJQCINSKLVBL-RUZDIDTESA-N 494.551 4.266 10 10 JICE CC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868679105 QKGQPXRAXLKBIO-JPYJTQIMSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474489 FTZZVTWHICMYDB-UHFFFAOYSA-N 461.614 4.139 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2053496709 IAOXCSSPJFWOER-UHFFFAOYSA-N 450.589 4.226 10 10 JICE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106884627 CRAUYDXTNPKAPM-IRXDYDNUSA-N 460.619 4.302 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1 2294259165 NTNHDRHOJBNCBK-UHFFFAOYSA-N 450.347 4.408 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O 2297295851 IOQGSTMJNFWAQC-UHFFFAOYSA-N 467.322 4.477 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)cc1OC)C(=O)O 2314932273 LMJFCTVNPOBYIK-MRXNPFEDSA-N 459.545 4.352 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1 2323840631 CATCNGQCMMZVRQ-UHFFFAOYSA-N 473.428 4.085 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc(NC(=O)Nc4ccc(F)cc4)nc3C)CC2)cc1 8848007 FOGOBTDPJRIDME-UHFFFAOYSA-N 469.542 4.206 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14468745 IVYJJTADMLLOAS-JXQFQVJHSA-N 456.564 4.135 10 10 JICE CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C2CC2)c(OS(C)(=O)=O)c1 37422391 IFIWIBARXJEKRT-UHFFFAOYSA-N 450.988 4.329 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526367286 MHDYSIBYZBTGKD-DEOSSOPVSA-N 462.502 4.238 10 10 JICE CC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860343645 LLRWSCPALNGJII-UHFFFAOYSA-N 462.509 4.416 10 10 JICE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4c(F)cccc4F)CC3)ccc21 1860605839 UGBXZFMVPXUGAG-UHFFFAOYSA-N 488.490 4.160 10 10 JICE CCCOc1ccc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OCC 1860719833 MNPDRBUNALMORU-UHFFFAOYSA-N 472.541 4.378 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028440 UZPRDJBBCYRTKY-FPTDNZKUSA-N 494.979 4.198 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1 1868903621 OIKUSKLGRKUFPE-ZONZVBGPSA-N 469.585 4.005 10 10 JICE COCCNC(=O)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870963972 IYTVBHOVUQTJDM-UHFFFAOYSA-N 478.593 4.001 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc([N+](=O)[O-])cc5)nc4c3)CC2)cc1 1873506830 RQTIUOMPBLFLOM-UHFFFAOYSA-N 457.490 4.109 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C(F)F 2163121176 QGUNHLYZPQYYPX-AEFFLSMTSA-N 482.572 4.157 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CCC2 2163162480 JFTFUKOYCLDETP-OAQYLSRUSA-N 472.630 4.446 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2294005090 ZWLXKHMZGVSJHA-UHFFFAOYSA-N 477.473 4.144 10 10 JICE Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)Nc2ccccc2)C1=O 2297363203 XYIFEOCZMQTTDT-UHFFFAOYSA-N 489.915 4.332 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2c(C)nn(Cc3ccccc3)c2C)C1=O 2313548043 JPTOBAKXKYCHRR-UHFFFAOYSA-N 493.361 4.286 10 10 JICE C[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1)C(=O)O 2314930193 YXBGWUQBZCIJEG-AWEZNQCLSA-N 484.599 4.382 10 10 JICE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccn3)N=C2CC)cc1OC 2332139231 KIESVWMHHHXPHU-UHFFFAOYSA-N 464.566 4.314 10 10 JICE Nc1ccc(NC(=O)CSc2cc(I)ccc2Br)cc1 2363624047 GDNLYMPRQXERJI-UHFFFAOYSA-N 463.138 4.367 10 10 JICE CCc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1 33309911 ZLJMHYUSEZZXGQ-UHFFFAOYSA-N 463.607 4.105 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 33430030 GVYBKVOFZBZPCT-KEBDBYFISA-N 456.633 4.372 10 10 JICE CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33458876 GFLZZEGZPKMUBX-UDWIEESQSA-N 484.622 4.342 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33674716 XAZNBXLRZAMWHB-XMHGGMMESA-N 464.616 4.206 10 10 JICE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c(OC)c1 33931739 KVUQLNKZTRTFEY-CXUHLZMHSA-N 479.377 4.013 10 10 JICE CCOc1ccc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1OC 35623337 ZXIOSWYYNHGLEA-MFOYZWKCSA-N 476.492 4.139 10 10 JICE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCCC2)SC1=S 39989894 ISYDMTOCGNEMAN-HKWRFOASSA-N 488.679 4.057 10 10 JICE COc1ccc(OC)c(N2C(=O)/C(=C3/C(=O)N(C)c4ccc(Br)cc43)SC2=S)c1 40845327 YFVDZGJHPUXTFN-MSUUIHNZSA-N 491.388 4.219 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 526498787 AIINPKDPKZWUTM-RUZDIDTESA-N 474.513 4.000 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)c1OC 526554948 DNTKBACVZWSUKM-OAQYLSRUSA-N 455.413 4.450 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)sc(C)c1-c1ccc(F)cc1 829988756 BOKCTENMARRECF-QRQCRPRQSA-N 462.568 4.432 10 10 JICE CC(=O)c1sc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)nc1C 1860347486 RJWYSRFDPGKWQL-RUZDIDTESA-N 499.596 4.394 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(OCC)cc1 1860645755 GLQVSGUHTNKXRK-SFHVURJKSA-N 458.580 4.496 10 10 JICE Cc1noc(C)c1Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826748 LQEXGDCZIQQZTC-VXLYETTFSA-N 455.561 4.360 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cc(Br)cc(F)c3n2)c2nccn2C)cc1 1866525114 RZENNZZGKVVNBD-FQEVSTJZSA-N 498.356 4.161 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3snc4ccccc34)c3ccccc3)CC2)cc1 1869057203 KOSRMBBZONRYRV-XMMPIXPASA-N 486.597 4.125 10 10 JICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Nc5ccccc5)cc4)c(=O)cc3O)CC2)cc1 1870130414 LKTGCNQENXJFME-UHFFFAOYSA-N 496.567 4.258 10 10 JICE CN(C)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873895891 UTTBWGXIAXBCAR-NDEPHWFRSA-N 479.584 4.493 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccccc4F)c3)CC2)cc1 1874734761 GBPQGARVGBKFPW-UHFFFAOYSA-N 462.521 4.449 10 10 JICE Cc1c(I)cc(CN=[N+]=[N-])cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522379 YLRCCPDJPWZGHE-UHFFFAOYSA-N 457.316 4.467 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 2293205566 IDYJUBMVSUZKEC-UHFFFAOYSA-N 490.463 4.334 10 10 JICE CC(C)N1C(=O)SC(=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O 2294143650 UNJORIFKJZOSAA-UHFFFAOYSA-N 479.146 4.120 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1C 2296594517 PCLLBHYELKIZIW-UHFFFAOYSA-N 490.512 4.107 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297349430 JNOYGUJBHMEBMU-UHFFFAOYSA-N 473.572 4.210 10 10 JICE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1)C(=O)O 2314931034 LFTBJGPVVRMJDU-SNVBAGLBSA-N 497.381 4.392 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2358642025 FGEPANXMIAGZED-CBGDNZLLSA-N 472.630 4.302 10 10 JICE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15040337 JHPKZAWAQUPNRI-CYVLTUHYSA-N 470.572 4.051 10 10 JICE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OCC 18902542 IXXYLZGOFOXMHK-UVTDQMKNSA-N 474.398 4.313 10 10 JICE Cc1nnc(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(c3ccccc3)C2=O)s1 39793667 FIRIOPWIDYCOKH-WUKNDPDISA-N 452.586 4.347 10 10 JICE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCCC2)SC1=S 39990350 QTNJLDXYDHDGHI-RGEXLXHISA-N 458.653 4.430 10 10 JICE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S 40066422 ATDKTRZEJTXFAL-UNOMPAQXSA-N 452.605 4.272 10 10 JICE COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc(Cl)c1O 59198526 HJAPCGKORQNTSV-WUXMJOGZSA-N 467.728 4.488 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 109990762 NEQKWSMBUZFHQY-UHFFFAOYSA-N 459.575 4.105 10 10 JICE Cc1cc(C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)c(C)n1-c1ccccc1F 110133662 ZNWAYJVYWJPOGX-UHFFFAOYSA-N 462.569 4.225 10 10 JICE O=C(NC[C@H]1CCCO1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586614733 NYESSBZSXFAYQN-LJQANCHMSA-N 469.497 4.015 10 10 JICE O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 731298779 NMIRDXAKPQDYIE-UHFFFAOYSA-N 466.338 4.380 10 10 JICE Oc1c(Br)cc(Cl)cc1[C@@H]1NCCc2nc3ccc(Br)cn3c21 821240971 BCWWFHSRULNIDG-AWEZNQCLSA-N 457.553 4.453 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@](=O)C(C)(C)C 1705480874 YYLBJTHQXSPSJC-CVCYQNGTSA-N 451.640 4.358 10 10 JICE CCS(=O)(=O)c1ccc(O)c(N=c2cc(C)c3c(C)nn(-c4cccc(Cl)c4)c3[nH]2)c1 1859832414 RWUXUCAIRQGOJH-UHFFFAOYSA-N 456.955 4.355 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873168115 JOFSLMICHPDYDD-JOCHJYFZSA-N 470.617 4.477 10 10 JICE Oc1cccc(F)c1CNc1cc(I)cc(I)c1 2042608738 UMDKCCYFZVVGCU-UHFFFAOYSA-N 469.035 4.353 10 10 JICE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCC2(CN=[N+]=[N-])CC2)c1 2124513241 QQMKYTSOLLUQFI-UHFFFAOYSA-N 471.299 4.459 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NC1CCCCC1 2296755624 SQIIFSKBTCHNEL-UHFFFAOYSA-N 453.427 4.489 10 10 JICE COc1ccc(N(C)CN2C(=O)SC(=Cc3ccc(I)cc3)C2=O)cc1 2313502086 OHCGPJDFPGLEPL-UHFFFAOYSA-N 480.327 4.430 10 10 JICE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 2313562122 GGKQDORXMMKUHR-UHFFFAOYSA-N 477.904 4.421 10 10 JICE CCSc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)s1 2314578202 GTXDZMVBCIQKGZ-UHFFFAOYSA-N 454.599 4.019 10 10 JICE CC(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1 11857571 QEPLMCCVYDCPEK-CQSZACIVSA-N 457.577 4.478 10 10 JICE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33330190 CZPJWEJQMIUYQX-XSFVSMFZSA-N 476.627 4.395 10 10 JICE CCc1cccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)c1 65133696 YNFTZVWSOOURGZ-UHFFFAOYSA-N 463.607 4.105 10 10 JICE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 214756018 VMYYZPPWAIABQN-QGOAFFKASA-N 457.533 4.224 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526436002 BJWMFFKWRMHVQD-QHCPKHFHSA-N 461.470 4.375 10 10 JICE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705808094 ADDSQRIKUSXJRJ-UHFFFAOYSA-N 470.618 4.464 10 10 JICE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OC 1858594228 QAXMCPZSHYXWQW-TYSUYXETSA-N 457.573 4.381 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865028797 YGBJQCINSKLVBL-VWLOTQADSA-N 494.551 4.266 10 10 JICE CCOc1ccc(-c2nc(N3CCCC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867993216 KMIPMGOESUMSDH-UHFFFAOYSA-N 459.594 4.478 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080030501 NNZQHBFIZBBSON-INIZCTEOSA-N 482.318 4.341 10 10 JICE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNCc1cc(Br)cc(F)c1O 2159031243 AAKAGPSKXDWQHI-QGZVFWFLSA-N 453.299 4.418 10 10 JICE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 2293987032 JXYIXQGHGKYZLG-UHFFFAOYSA-N 495.340 4.440 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 2294229407 RDKYELOBOPYOIT-UHFFFAOYSA-N 460.511 4.263 10 10 JICE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1 2296537407 JVTUADAEZJLDPG-QGZVFWFLSA-N 455.557 4.295 10 10 JICE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 2313682412 BXYVZJZLFVCYLJ-UHFFFAOYSA-N 478.383 4.145 10 10 JICE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314739965 CKAWVWXJJHVWKD-UHFFFAOYSA-N 488.425 4.401 10 10 JICE COc1ccc([C@H](CN2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)N(C)C)cc1 2323880164 YJAAIJSCNIQVKD-IBGZPJMESA-N 452.605 4.155 10 10 JICE Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 2227301 LMLVQVOIYWXYFS-FSSWDIPSSA-N 489.886 4.483 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)cc1OC 16911465 QMGVQIJOTFMWPE-XSFVSMFZSA-N 473.572 4.001 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 33774699 NUVGZZSFJUSOFV-APVMCDBPSA-N 474.652 4.230 10 10 JICE C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 109180245 XJUJRWHHNYYPAS-SFHVURJKSA-N 462.512 4.468 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 1084198628 FYUIZXHIXQDNPL-YBEGLDIGSA-N 454.797 4.104 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 1858586415 HCNIUTVGLWICEE-CJLVFECKSA-N 484.643 4.386 10 10 JICE CCN(CC)CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347184 AMFIYYWCUDMDPK-NDEPHWFRSA-N 487.648 4.026 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008372 JCZWUWJMRWCUHT-NSYGIPOTSA-N 496.567 4.472 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864010837 PLEODRKCAMDVKS-QKKBWIMNSA-N 496.995 4.499 10 10 JICE CCC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890581 NNUGRUNUTBRIOR-KAYWLYCHSA-N 493.696 4.061 10 10 JICE COc1ccc([C@@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1 1868156820 LNJYUVZBPVJQNS-SANMLTNESA-N 496.563 4.499 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869173845 ZIIGWEBPMGLTGB-OAQYLSRUSA-N 459.594 4.012 10 10 JICE CCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870687999 KTZXLMNSNMROKM-UHFFFAOYSA-N 461.606 4.211 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3)cccc21 1874017627 SZVXYWJLIPQNDL-CQSZACIVSA-N 494.425 4.352 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2cccc(O)c2O)CC1 1952079393 LRVZUZXNELCXDB-UHFFFAOYSA-N 459.498 4.465 10 10 JICE CC(=O)N(c1ccccc1)c1nc(C=CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 2040481639 AHPDTBPQNLQOKP-UHFFFAOYSA-N 476.602 4.336 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(I)cc3)C2=O)cc1 2294093851 WXTDUKQOQLMHQN-UHFFFAOYSA-N 497.292 4.057 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2294229434 SVMDQAFKIHAHFV-UHFFFAOYSA-N 498.314 4.449 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 2294821371 NXHPAJLRFPSVOH-OAHLLOKOSA-N 477.585 4.141 10 10 JICE N=C1C(=Cc2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352661 KBTSHRYAKMZOGG-UHFFFAOYSA-N 465.560 4.030 10 10 JICE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297453071 TVSKABDVAMLNLW-UHFFFAOYSA-N 460.559 4.192 10 10 JICE O=C1c2ccccc2-c2onc3c(N4CCN(c5ncccn5)CC4)cc(NCc4ccco4)c1c23 9642019 FFEWAGKYWOEOJR-UHFFFAOYSA-N 478.512 4.361 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 33315739 INMSDLNNVYTIPT-KGENOOAVSA-N 466.584 4.376 10 10 JICE O=C(NN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1Br 33323910 ZZESFASUCUXBLD-LWRLPXSWSA-N 490.360 4.460 10 10 JICE COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 47152242 BMLUTVNZJLDAIQ-AQTBWJFISA-N 457.533 4.224 10 10 JICE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 59352936 YGUMCDYKBZEDIQ-YVLHZVERSA-N 493.404 4.306 10 10 JICE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)cc1 59858783 BUCKUHZVBHBDIP-WQRHYEAKSA-N 490.432 4.121 10 10 JICE COCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S 98002426 HLZVSHVKECQSAI-YBEGLDIGSA-N 451.570 4.205 10 10 JICE CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 101907642 JEOQOUIFXKAMED-LDADJPATSA-N 475.357 4.238 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)C)C2=O)cc1 1084413631 RLIOTCGZAPQMTE-PDGQHHTCSA-N 473.323 4.301 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2ccccc2OC)CC1 1860484442 MZZUSHAJVMOEDE-CYYJNZCTSA-N 469.586 4.150 10 10 JICE COC(=O)c1ccccc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860748719 IVQVXGUSFHHBDB-UHFFFAOYSA-N 466.515 4.182 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028702 YFHLKIXBPLIXPH-DEOSSOPVSA-N 488.588 4.386 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865032228 YLEQBEQSNWDJRA-HSZRJFAPSA-N 496.567 4.334 10 10 JICE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865680035 TVFHUWKLDPZFCN-CIAFOILYSA-N 462.477 4.387 10 10 JICE CCCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873573523 WSHZTCLQRJWNGX-UHFFFAOYSA-N 498.631 4.149 10 10 JICE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)C1 1892120739 IFJARWCXMOOKTQ-KXWAPTNCSA-N 481.662 4.272 10 10 JICE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C=O)c2I)c(O)c1 2080002414 XKJJDUQIMKINNH-SFHVURJKSA-N 452.292 4.281 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC12CC2 2106809327 FGKZSICUJRWAHP-HXUWFJFHSA-N 458.603 4.056 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H](CN)C(C)(C)CNC(=O)OC(C)(C)C 2194841822 FKPIJYJYNZXDNG-NRFANRHFSA-N 476.662 4.342 10 10 JICE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296541894 DVEYTLPDKSWGIG-IRXDYDNUSA-N 494.642 4.480 10 10 JICE CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 2313683132 SFYJCEOPMSKBLW-UHFFFAOYSA-N 478.530 4.125 10 10 JICE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15048264 FMSNWWQZVYXICQ-NOMGLIDZSA-N 470.572 4.050 10 10 JICE Cc1cccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 59336677 VTEZQWIOGGWBFG-UCQKPKSFSA-N 496.498 4.394 10 10 JICE Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 101993315 VOOKGUPHOIGAFH-BHIFYINESA-N 471.896 4.344 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 103037618 WRZSYUYCQDAHLY-CFTDAYSMSA-N 469.544 4.477 10 10 JICE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(OC)ccc1OC 586250013 SBYARDSFOMXTGE-UHFFFAOYSA-N 465.527 4.085 10 10 JICE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)cc2OC)c1 733781356 ARRXUZBBUHEQTI-UUYOSTAYSA-N 482.558 4.388 10 10 JICE CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cc21 1309751404 KXYHXWKRNDHNGC-UHFFFAOYSA-N 451.592 4.180 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)cccc21 1860605837 UEJPCMNHASQOEK-UHFFFAOYSA-N 468.509 4.449 10 10 JICE O=C(CNCc1ccc(F)c(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860719159 PSRDHAUXOWWUJY-UHFFFAOYSA-N 467.294 4.092 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864009957 GOWJCTVXNPZYLC-QFIPXVFZSA-N 476.577 4.237 10 10 JICE CCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665219 HYGOVIKSESPWRB-RCCKNPSSSA-N 469.969 4.256 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969440 CFNKRDGJPKLKAD-UHFFFAOYSA-N 498.587 4.172 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970693 NWMPZCPPLUWKTO-UHFFFAOYSA-N 481.000 4.385 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873169361 LIBCRJZYNSEONB-UHFFFAOYSA-N 484.644 4.348 10 10 JICE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 2196965157 PYBUEYIHTZZKFC-LVXARBLLSA-N 474.646 4.191 10 10 JICE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 2294094869 BDKALNCOPZEJMD-UHFFFAOYSA-N 461.430 4.147 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 2296538251 ITNCUXODLYMCBV-UHFFFAOYSA-N 495.626 4.298 10 10 JICE COc1cc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OC(C)C 2297312314 BKIMCYRXKJLGQQ-UHFFFAOYSA-N 465.731 4.360 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccccc2Br)SC1=S 2323809205 KOVHPGGPUXSITJ-HNNXBMFYSA-N 464.362 4.052 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 1792591 RJWWCSPLGJHESL-CFTDAYSMSA-N 468.556 4.267 10 10 JICE CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)cc1 33028008 IFDFIESZQVKBDZ-UHFFFAOYSA-N 487.585 4.365 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCCCC3)nc12 33781104 VBMTVLYUTQOTBB-NBVRZTHBSA-N 454.621 4.137 10 10 JICE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2c1 208280361 KCOOEQMIGHSNOT-DEDYPNTBSA-N 451.573 4.374 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(C)c(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)c1 729688267 MOFUEXTYELQEFH-UDWIEESQSA-N 486.644 4.079 10 10 JICE CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 1084368285 YNMVDFZEQPXNRL-ZHZULCJRSA-N 496.386 4.470 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864012182 UAONIPVASMBYID-HSZRJFAPSA-N 494.567 4.181 10 10 JICE CCCC[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867151055 BMUOZCDVJZASQY-FQEVSTJZSA-N 471.513 4.255 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(Cc4ccccc4)n3)CC2)cc1 1867946698 NTBAARONQCFFLU-VWLOTQADSA-N 487.648 4.144 10 10 JICE O=C(CCc1csc(-c2ccccc2)n1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868154158 RPFBHNCHPBMRGY-UHFFFAOYSA-N 495.560 4.273 10 10 JICE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC[C@@H](CO)C4)nc(-c4cccnc4)n3)cccc21 1868563896 IWSBPQKRLOOBMR-GOSISDBHSA-N 491.551 4.266 10 10 JICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873419962 SEFOVZAJQGLPAU-QFIPXVFZSA-N 471.557 4.474 10 10 JICE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881513563 RPFMYQNMVGZXMR-LEWJYISDSA-N 464.651 4.272 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080032677 GOPRGXHDJWVCBQ-LJQANCHMSA-N 468.335 4.351 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1C 2313543567 NJZGQKMOJMPXEA-UHFFFAOYSA-N 474.380 4.090 10 10 JICE COc1ccc(OC)c(N2C(=O)C(=C3C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 2313621558 RODREAWGXKEOIN-UHFFFAOYSA-N 495.626 4.270 10 10 JICE CCOc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934827 KNRVPXWZXHIZJO-LBPRGKRZSA-N 489.531 4.074 10 10 JICE CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33458236 MOESIEXJEFRNMP-DEDYPNTBSA-N 466.632 4.203 10 10 JICE CN(C)c1ccc(CN(C(=O)/C=C\c2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 34798539 RFVDAOVCOPVJCX-ATYVUACHSA-N 467.418 4.289 10 10 JICE COc1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 59861999 RNSZMKSABOJJLU-CPNJWEJPSA-N 461.430 4.408 10 10 JICE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 96450451 DDZPLQZYUMTRGF-MJJUSULESA-N 470.532 4.226 10 10 JICE O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccccc1O 102848430 GVRMRRNKGFYACJ-WOJGMQOQSA-N 467.484 4.107 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 103578209 BDLUUPHDFZZGLJ-UDWIEESQSA-N 475.457 4.161 10 10 JICE COc1ccc(NC(=O)[C@@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 169677434 DPGYKIDKNIZLCU-VPUSJEBWSA-N 473.573 4.219 10 10 JICE COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 210753043 WGDUCVVJVGBEOR-KNTRCKAVSA-N 478.636 4.218 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 214756229 NTLTZQUUXGRHKR-XMHGGMMESA-N 499.570 4.392 10 10 JICE Brc1ccc(-c2nnc(N3CCOCC3)n2CCCSc2nccs2)cc1 1689822895 URHKBERTUWFYGX-UHFFFAOYSA-N 466.430 4.183 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1Cl 1858070250 KJZOYCCFXGHILA-UHFFFAOYSA-N 458.970 4.352 10 10 JICE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867965800 KXOKLZJWEFROFI-UHFFFAOYSA-N 483.657 4.279 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873169405 NDRYMPSSWYFYKA-UHFFFAOYSA-N 476.646 4.367 10 10 JICE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348057 BVYPXRWLZKPJGS-UHFFFAOYSA-N 465.369 4.045 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 2297365990 HKRNMYQFGXXXJK-UHFFFAOYSA-N 478.888 4.439 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 2313549536 YRMVBKBXZWCHCU-UHFFFAOYSA-N 481.505 4.312 10 10 JICE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4ccc(C)cc4)n3)CC2)cc1 8979907 MJURWIFMCXFESA-UHFFFAOYSA-N 451.552 4.067 10 10 JICE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(OC)c(OC)c1 19855483 GDVDNYNCMKGZDN-UHFFFAOYSA-N 458.518 4.335 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)CC2)cc1 22482492 FJHWEFCDJDOWKH-OAQYLSRUSA-N 492.023 4.371 10 10 JICE CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 33332513 HCNBSDKANJILDC-UDWIEESQSA-N 457.573 4.347 10 10 JICE CCN1C(=O)c2ccc(-c3ccc(/C=C4/C(=O)NN(c5ccc(Cl)c(Cl)c5)C4=O)o3)cc2C1=O 35214627 RVMVCVMHQYLKNN-BOPFTXTBSA-N 496.306 4.331 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O 38181389 ZBVODVBUGGDRSR-MJMSWUAYSA-N 458.942 4.121 10 10 JICE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nccs1 39793760 LXNAJHAEDJIQQM-YVLHZVERSA-N 487.584 4.164 10 10 JICE COC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=S 40928193 DSEIJTVVBPCTRY-RVDMUPIBSA-N 458.399 4.392 10 10 JICE CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc1 205947112 SFYJCEOPMSKBLW-KGENOOAVSA-N 478.530 4.125 10 10 JICE O=C(Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1)c1ccc2c(c1)OCO2 1860510381 WWJWBYYLYCUTOO-UHFFFAOYSA-N 491.459 4.090 10 10 JICE Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1860587404 OTFUXTUMQOBMHE-UHFFFAOYSA-N 452.510 4.261 10 10 JICE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868274518 DJLHCRHTUCTCAN-OAHLLOKOSA-N 464.529 4.405 10 10 JICE CCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868868154 KOKBSFQNSDRLHA-JWQCQUIFSA-N 484.040 4.476 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 1874742080 YTTZHNKGDQURJO-UHFFFAOYSA-N 489.528 4.218 10 10 JICE COc1ccc([C@@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)c(O)c1 2079856922 WTECYVASKSHYEK-CYBMUJFWSA-N 467.229 4.192 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C(=O)O)c1I 2080047913 KYRRIHCSBNHOLG-SNVBAGLBSA-N 450.223 4.445 10 10 JICE CCCCCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 2296713659 OWMLLUFPBUVIOH-UHFFFAOYSA-N 483.409 4.032 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3csc4c3CCCC4)C2=O)cc1OC 2296810275 YRWAVVYUWOEQQY-UHFFFAOYSA-N 460.602 4.190 10 10 JICE COc1cccc2c1O[C@@H](C)C(C=C1SC(N3CCN(Cc4ccccc4)CC3)=NC1=O)=C2 2314450528 BEYPFBSEUVKIAK-SFHVURJKSA-N 461.587 4.191 10 10 JICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314769360 PEGXMDZKEJXOQR-IBGZPJMESA-N 473.572 4.218 10 10 JICE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 2314933393 VRRABQZTJQRSFR-UHFFFAOYSA-N 459.545 4.353 10 10 JICE CC[C@@H](N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1)c1cc(Br)ccc1O 2328749214 ODZLIBQNUDNFAA-AQNXPRMDSA-N 463.372 4.279 10 10 JICE COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15035868 PCHOZJNNLHMKJX-SXGWCWSVSA-N 479.377 4.003 10 10 JICE Cc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 33351588 FPVISHYGNUOBQF-XDHOZWIPSA-N 464.616 4.472 10 10 JICE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 254816189 CZWIGJABFXSKGY-QHCPKHFHSA-N 495.670 4.095 10 10 JICE CC[C@@](C)(NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862171627 MVDKSURCMYESJO-GDLZYMKVSA-N 495.664 4.314 10 10 JICE CCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867340913 HORNHOWKNDVVKU-DQEYMECFSA-N 468.617 4.134 10 10 JICE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871519813 ZPHQJHGLQXKDIV-UHFFFAOYSA-N 468.005 4.094 10 10 JICE CCCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170780 QDZYFNJEGVIKKD-UHFFFAOYSA-N 477.605 4.153 10 10 JICE COc1cc(Br)cc([C@H](NC(=O)OCc2ccccc2)C(C)(C)C(=O)O)c1O 1952336803 FZOCUQLHAXSNAO-KRWDZBQOSA-N 452.301 4.242 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1Cc1ccc(O)c(O)c1 1952823014 GHQJHCLAUXWJTP-JTHBVZDNSA-N 459.498 4.365 10 10 JICE CCc1nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c(I)c1C(=O)O 2079977309 KINWRUXLEHOJHW-OAHLLOKOSA-N 458.296 4.098 10 10 JICE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC 2293225758 RUTXHGLOERCIIN-UHFFFAOYSA-N 494.573 4.437 10 10 JICE Cc1c(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 2297309467 OQFVVZVUMJCPFR-UHFFFAOYSA-N 457.461 4.392 10 10 JICE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S 2297312076 BASITIPBIUQUOT-UHFFFAOYSA-N 482.352 4.453 10 10 JICE CC[C@@H](C)[C@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580224 GIMAHZLTMPHYGX-KUHUBIRLSA-N 454.573 4.322 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c(OC)c1 2313543959 VJGQRLDINWHNKV-UHFFFAOYSA-N 468.918 4.449 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933917 FEZHWNPNCHVDGS-AWEZNQCLSA-N 473.572 4.087 10 10 JICE COc1ccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)cc1 4788427 OINZCUINNRUTLS-UHFFFAOYSA-N 472.589 4.120 10 10 JICE COc1ccc(N2CCN(C(=O)Cc3csc(SCc4ccccc4F)n3)CC2)cc1 8939161 WGLIRCBBZUARKA-UHFFFAOYSA-N 457.596 4.474 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc(N4CCSc5ncccc54)s3)CC2)cc1 15769835 OIHQYZWALDKFMU-UHFFFAOYSA-N 452.605 4.358 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 33592033 JLRKZGZGOBDWGP-HBDRGQTGSA-N 497.536 4.285 10 10 JICE CC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2c1ccc2c(c1)C(=O)c1ccccc1C2=O 821275501 GZJIPGTZIBJKFQ-UHFFFAOYSA-N 462.502 4.188 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1 1084538853 LOSGVDFSQUKENB-HMAPJEAMSA-N 470.481 4.247 10 10 JICE CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867051484 BODHXFWZRFBAJW-FSSWDIPSSA-N 452.510 4.099 10 10 JICE COc1cc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952081869 UPMARPRJMLPHGN-AREMUKBSSA-N 463.486 4.031 10 10 JICE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079036120 QAIHBRBSGJNCFU-ZDUSSCGKSA-N 450.198 4.332 10 10 JICE O=C(CN1C(=O)SC(=Cc2ccc(N3CCCCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1 2294013908 KWIBJJMNEAPOBZ-UHFFFAOYSA-N 490.629 4.062 10 10 JICE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296731336 OMNUPQKYLKKSRU-UHFFFAOYSA-N 467.572 4.353 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cccc21 2318784157 AZQATNZAWRPCCU-UHFFFAOYSA-N 464.521 4.353 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1OC 20235918 RPLOLVNFBWTAAT-OMDQEHPVSA-N 463.490 4.002 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 22572131 GOJDSTQWDOJIIA-KVKWBSMISA-N 463.489 4.031 10 10 JICE O=C1N=C(O)/C(=C/c2ccc(O)c(I)c2)C(=O)N1c1cccc(Cl)c1 34234594 YCGWIEXOQPJPHC-SDQBBNPISA-N 468.634 4.157 10 10 JICE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 96467382 NINWHGRBYJVYKT-FTNSYOLJSA-N 477.546 4.132 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)cc1C 1084222428 RDWQNIIZBQXNMP-MTJSOVHGSA-N 462.937 4.485 10 10 JICE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705717342 IFTWASZZKKQUNW-XMMPIXPASA-N 453.631 4.179 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864007732 SWEXBOIJCMUSAB-NRFANRHFSA-N 482.968 4.102 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3cccs3)C2=O)cc1 1873166345 MMQCPKUWVNUJHN-JOCHJYFZSA-N 475.614 4.247 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873168998 UAYIUZJKUJBSJM-HOYKHHGWSA-N 471.605 4.308 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498494 LJXRRLNDGKFZQK-UHFFFAOYSA-N 464.616 4.269 10 10 JICE CCOc1cc(C=C2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 2297342945 SJHJWNHVMPQADC-UHFFFAOYSA-N 499.785 4.399 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1 2313559381 XJLCDXMDBIGIPR-UHFFFAOYSA-N 484.892 4.357 10 10 JICE Cc1cccc2cc(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCOCC3)nc12 2314648298 UIMRASAHYZVGSR-UHFFFAOYSA-N 451.573 4.374 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 2331159842 YIMZUPKSDCMVBQ-HSZRJFAPSA-N 499.611 4.141 10 10 JICE CCc1ccccc1-n1c(SCC(=O)NCc2ccc(N(C)C)cc2)nc2ccccc2c1=O 18812397 ZSOQOUMWHPLFAP-UHFFFAOYSA-N 472.614 4.423 10 10 JICE COc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)c2O)cc1 34222078 HCSFYGAIKORPBV-WQRHYEAKSA-N 452.854 4.055 10 10 JICE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032799 OPCCUMXCPGSOMV-UDWIEESQSA-N 465.556 4.116 10 10 JICE CC(=O)c1ccc2c(c1)CN(C(=O)CCCN1C(=O)/C(=C/c3cccs3)SC1=S)C2 1436689347 DASVTVJZGGNXCQ-ODLFYWEKSA-N 456.614 4.475 10 10 JICE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCCN(C(=O)OC(C)(C)C)CC1 1860484477 OSWGXFYVYCKEGO-OCEACIFDSA-N 477.606 4.262 10 10 JICE Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860593048 QPUWDOZQDSESIS-UHFFFAOYSA-N 496.563 4.335 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008074 BBNILDDZGXXEDU-DEOSSOPVSA-N 488.588 4.434 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865026189 JLCBHYXOHVQBAL-OAQYLSRUSA-N 456.587 4.136 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1869133051 RRCIVRNOTMRIIO-VWLOTQADSA-N 490.627 4.006 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3cccnc3)CC2)cc1 1870466792 NARDCUBLFAMYHF-UHFFFAOYSA-N 496.611 4.201 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1892107727 MEDCHIHHFDPJMF-URXFXBBRSA-N 467.635 4.170 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079048791 WHJGFKVRIORCTK-CYBMUJFWSA-N 451.230 4.492 10 10 JICE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CNC(=O)OC(C)(C)C 2106844862 WYRNUQUGSUPNLF-IAGOWNOFSA-N 460.619 4.159 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2294005067 WXKKMFMHHAYTLH-UHFFFAOYSA-N 477.473 4.144 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 2294130791 HYVCYOTWRNUUNC-UHFFFAOYSA-N 470.481 4.193 10 10 JICE CC(C)CN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296848638 NWRLKCJZJCCPGR-UHFFFAOYSA-N 476.627 4.114 10 10 JICE CCOc1ccc(C=CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2330595172 HYGDXDBETQUCIL-LJAQVGFWSA-N 499.611 4.313 10 10 JICE COCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672161 CTKNGGVUPBUBCB-VHEBQXMUSA-N 458.992 4.495 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C)cc4C)n3)CC2)cc1 33309914 UDZNPUHNRODLIF-UHFFFAOYSA-N 463.607 4.159 10 10 JICE CC(C)CN1C(=O)/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 33333300 DQWDKXXBFZVEAG-LDADJPATSA-N 450.589 4.164 10 10 JICE O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1 34780135 ULRCIPIKQIAZOG-OCKHKDLRSA-N 495.490 4.478 10 10 JICE O=C1/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1088723355 ZGTKYYZNRHTTOR-UJFYRASASA-N 489.518 4.234 10 10 JICE CC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1567315587 UPQAWSVKKHZIMU-OGBKAESYSA-N 458.630 4.046 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CC(C)C)CC2)cc1 1870562471 ICCIZLGQKVHSMO-UHFFFAOYSA-N 480.609 4.019 10 10 JICE COC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079929737 ZCWALTSYIRNCFJ-MRXNPFEDSA-N 454.308 4.295 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc([N+](=O)[O-])c1O 2297534079 RZMZHPPEZHADQE-UHFFFAOYSA-N 499.785 4.038 10 10 JICE COc1ccccc1N1C(=O)C(=Cc2cc(I)c(O)c(OC)c2)SC1=S 2297561053 HTSOWMAPIOZSCA-UHFFFAOYSA-N 499.351 4.420 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 2314508304 ONTKJMRFKCUQJL-UHFFFAOYSA-N 499.545 4.000 10 10 JICE COc1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C)ccc1OCCN1CCOCC1 2332105255 MNYTURVXJMLTEO-UHFFFAOYSA-N 471.557 4.366 10 10 JICE O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14461262 MHIZRKNXZNZECY-HYFFOGBASA-N 455.352 4.454 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 15045115 IRCWOIGETDLDDC-VBKFSLOCSA-N 463.606 4.258 10 10 JICE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccccc1OCC(=O)NC1CCCCC1 101571004 WGNSKHIDBBXVAU-JCMHNJIXSA-N 461.518 4.019 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)CC1 1760573350 GVMHWHWKSDANOT-MUUNZHRXSA-N 492.668 4.207 10 10 JICE COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C1=O)cn2C 1858593964 FXMCGDCYQGEGRD-ATASCALFSA-N 452.557 4.084 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(Cl)c5)CC4)nc(C)n3)CC2)cc1 1867987918 VPCLVMANEBOCSG-UHFFFAOYSA-N 479.028 4.100 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868688211 LVTHZBUMAKZMRL-SANMLTNESA-N 477.649 4.439 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(F)cc5F)[nH]c4c3)CC2)cc1 1872798494 YNURZBCWHIWUML-UHFFFAOYSA-N 462.500 4.403 10 10 JICE CCN1CCc2cc([C@H](CN(CCNC(=O)OC(C)(C)C)Cc3ccccc3)NC)ccc21 2106861102 XFTLWUURFMTRMF-DEOSSOPVSA-N 452.643 4.356 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(N(C)Cc3ccccc3)nc12 2296707715 ACWHWFWJXSFKHK-UHFFFAOYSA-N 478.643 4.497 10 10 JICE COc1ccc(N2C(=O)C(=C3C(=O)N(C)c4ccc(Br)cc43)SC2=S)cc1 2314717455 YQSVZXMTZLJBES-UHFFFAOYSA-N 461.362 4.210 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314761258 QUERWTASDKJDNG-UHFFFAOYSA-N 488.425 4.401 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314831139 DECAPJHUOGUCJP-UHFFFAOYSA-N 498.626 4.228 10 10 JICE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 2314930903 ATOVRNAZAUEHIZ-UHFFFAOYSA-N 497.381 4.393 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323812720 YNAMSIJQFHYRDS-HNNXBMFYSA-N 482.352 4.191 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 16911998 VZUFKAQLWMXMKZ-XSFVSMFZSA-N 473.572 4.001 10 10 JICE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)o2)cc1 96460810 MFVIHQZEPLHOIH-INIXKHHFSA-N 474.589 4.139 10 10 JICE BrC1=CCCN(c2nnc([C@H]3CCCO3)n2CCCSc2nccs2)C1 1587550190 JZUVPZFVMGRBMQ-CQSZACIVSA-N 456.435 4.257 10 10 JICE CN(C)c1ccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1616131197 SYUWSMNNOZFIGM-JVYGEBFASA-N 489.572 4.418 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(C)cc1 1860750498 OJACPFPVCYFVRM-UHFFFAOYSA-N 465.531 4.354 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864013620 DLSOJXZEJBTJNK-NRFANRHFSA-N 496.995 4.321 10 10 JICE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865926948 NSEDHCBGOGUYIV-AWEZNQCLSA-N 479.396 4.468 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(OC(F)(F)F)cc4c3=O)cccc21 1866462698 MADIXVUGLXSXAO-UHFFFAOYSA-N 478.382 4.454 10 10 JICE COCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419794 AJUVSULTSHHQFE-UHFFFAOYSA-N 474.517 4.149 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106837378 YRLHPRRXXKQCNL-QGZVFWFLSA-N 460.619 4.446 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296849728 HJDIOPIPAGEURW-APWZRJJASA-N 494.642 4.148 10 10 JICE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1C 2297352566 BKGQLGDDFHFZTR-UHFFFAOYSA-N 462.579 4.165 10 10 JICE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2297364647 PPSHCSWMMWPYQH-UHFFFAOYSA-N 488.319 4.437 10 10 JICE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)NC1=S 2297453009 DTZOLYXQXLHEBW-UHFFFAOYSA-N 496.180 4.057 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)O 2297577031 MWUNMRSKZVHVPM-UHFFFAOYSA-N 498.351 4.466 10 10 JICE CCOc1ccc(Br)cc1C=C1C(=O)NN(c2ccc(Br)cc2)C1=O 2297578171 UXPRVEXODJNGMH-UHFFFAOYSA-N 466.129 4.072 10 10 JICE O=C(O)COc1ccccc1C=C1SC(=S)N(c2ccccc2Br)C1=O 2314932793 YUMQIBHMIBQMFP-UHFFFAOYSA-N 450.335 4.318 10 10 JICE COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 20154680 DDZPLQZYUMTRGF-ANVLOLRKSA-N 470.532 4.226 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@H](c3cccs3)N3Cc4ccccc4C3=O)CC2)cc1 20560960 BZPITELHWUBVFK-HSZRJFAPSA-N 461.587 4.193 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 20833982 NWPUWDPUNJYOAS-OAQYLSRUSA-N 467.472 4.041 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1OC 35638748 IBGIZBOOFWOURL-XDHOZWIPSA-N 458.561 4.030 10 10 JICE COCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39836047 DJYXJPCDTUBPJH-CPNJWEJPSA-N 481.599 4.260 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 40928585 HJOWNAGEWDAXFG-LGMDPLHJSA-N 453.582 4.037 10 10 JICE CC1CCN(c2ccc(CNC(=O)C[C@H]3CCOC4(CCN(C(=O)NC(C)C)CC4)C3)cc2)CC1 581786123 NLBOIVJJKFPLKA-XMMPIXPASA-N 484.685 4.308 10 10 JICE C[C@@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(N2CCOCC2)cc1 727478006 MVXSYJRRCGAAIK-OSPHWJPCSA-N 483.012 4.395 10 10 JICE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)CCCN2C 1705603573 QJZHOEWSIIIUOU-ILBGXUMGSA-N 459.638 4.090 10 10 JICE O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1859467434 YUXWGKHCPQKTSY-UHFFFAOYSA-N 493.313 4.238 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164298 UXTSFLQFGXKGQF-UHFFFAOYSA-N 452.514 4.152 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422455 YFBRJBXDWYDDOR-UHFFFAOYSA-N 476.964 4.076 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2040500858 PLHISPJJZWSKON-UHFFFAOYSA-N 496.662 4.175 10 10 JICE COc1ccc([C@@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080000286 RSANVPZHMBDDPJ-MRXNPFEDSA-N 468.291 4.167 10 10 JICE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1cc(Cl)cc(Br)c1O 2084780990 WWGQBFREQXMIMA-KBPBESRZSA-N 451.814 4.249 10 10 JICE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cc1I 2124513250 QRABPBPMOHRITE-LLVKDONJSA-N 471.299 4.411 10 10 JICE CC(C)(C[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2194864730 UNXYSJKKXKWLBE-HXUWFJFHSA-N 476.662 4.485 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2293677373 JDNCHWVBCPMVFN-UHFFFAOYSA-N 482.246 4.284 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2293783515 FANNBRWALAGFOX-UHFFFAOYSA-N 469.925 4.240 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2ccccc21 2296714186 FFWFREDTZVHAFE-UHFFFAOYSA-N 477.611 4.494 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 2297364933 NYJLSWWCZKLNMH-UHFFFAOYSA-N 476.872 4.284 10 10 JICE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2314401448 YTCCRLREHWSFKK-IRXDYDNUSA-N 486.663 4.008 10 10 JICE O=C(NN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S)c1ccc(Cl)cc1Cl 2314929346 LLUXWGDTOYVNRL-UHFFFAOYSA-N 453.328 4.238 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(O)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934964 LIXGCIITAPTJBT-INIZCTEOSA-N 459.545 4.439 10 10 JICE CCN(CC)c1ccc(/C=C2/SC(=N)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 29492450 XIWCKDVQLLOOLB-RZBQDWKBSA-N 461.591 4.386 10 10 JICE CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 33438197 ONRIZTRJHIJLQZ-GUUQCMFRSA-N 486.663 4.008 10 10 JICE O=C(/C=C\c1cn(Cc2ccccc2)nn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 96912029 DHTUAVKKPPSJAM-FLIBITNWSA-N 458.543 4.406 10 10 JICE Cc1ccc(S(=O)(=O)N2CCN(C(=S)N(c3ccccc3)c3ccc(N)cc3)CC2)cc1 242912990 GUIDOOIIJBMMLP-UHFFFAOYSA-N 466.632 4.007 10 10 JICE CC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 1666945933 OJFLDLVTYCSQFB-UHFFFAOYSA-N 458.914 4.091 10 10 JICE COc1ccc(-c2nc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)sc2C)cc1 1860743378 LRBBUEFTTJRYQK-UHFFFAOYSA-N 497.532 4.480 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864011833 LVDJVOVRMOJTEN-HSZRJFAPSA-N 494.567 4.181 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)N2CCCCC2)cc1 1866069821 PWBUAKYVVKWTAC-QHCPKHFHSA-N 497.437 4.314 10 10 JICE CCOC(=O)[C@@H](C)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866267214 FGOUBHQKVFCZGW-JTQLQIEISA-N 454.342 4.410 10 10 JICE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868177434 VRTJIFOWROQCNS-UHFFFAOYSA-N 466.449 4.335 10 10 JICE COCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420475 PGDSPFRWKQWAAJ-UHFFFAOYSA-N 469.545 4.199 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2053466804 FFCKTTJEUPAWMY-FQEVSTJZSA-N 495.651 4.236 10 10 JICE Cc1ccc([C@@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2078993844 JWHAGPCTBRSHEZ-MRXNPFEDSA-N 452.292 4.467 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079035600 HJERJDLXIKPTAI-VIFPVBQESA-N 468.213 4.307 10 10 JICE COc1ccc([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(O)c1 2140603783 SCYOMHFTNQAYAV-TZIWHRDSSA-N 455.599 4.173 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C(=O)O 2293816421 NALHBSGVCZTNMN-UHFFFAOYSA-N 486.480 4.029 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 2294265224 YLAMHOYEPAPBLC-UHFFFAOYSA-N 472.522 4.104 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1O 2297624508 DBHMYUIFDRXNEI-UHFFFAOYSA-N 479.714 4.182 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)c(C)cc4OC)n3)cc21 11857720 YPKQIXLOHSSLBQ-UHFFFAOYSA-N 487.603 4.372 10 10 JICE CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1 12893790 HLKNTNLIBHOKOE-SXGWCWSVSA-N 461.590 4.120 10 10 JICE N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102469099 XAARHJAFZUPMEE-FNSVQNJISA-N 467.938 4.232 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)CC1 226777861 AEUPQYUTIVGIOW-TXTKFYIRSA-N 488.451 4.212 10 10 JICE CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 248147409 UHWYBGIVYJWRQZ-UHFFFAOYSA-N 451.489 4.264 10 10 JICE CCN(CC)c1ccc(CN2C[C@@H](NCc3cccc(C(F)(F)F)c3)C[C@H]2C(=O)NC)cc1 299794879 KXQIKWNZMNVEMU-GMAHTHKFSA-N 462.560 4.030 10 10 JICE CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1 917644096 SMMXYDICCDTTFN-JYRVWZFOSA-N 455.298 4.493 10 10 JICE O=C1N/C(=C/c2c(Cc3ccccc3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccc(F)cc1 1082758129 DZMJWLUKUSYYIA-LFVJCYFKSA-N 468.488 4.401 10 10 JICE Cc1cc(O)ccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347236 DEUYTEJECUPYHC-HHHXNRCGSA-N 466.541 4.441 10 10 JICE CCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867890582 NNUGRUNUTBRIOR-RRPNLBNLSA-N 493.696 4.061 10 10 JICE CCc1ccc(/C(C)=C/C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1868135909 XEQJYUZPTWYQLL-BMRADRMJSA-N 452.510 4.183 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868700700 RRZNTVIULMTYCS-DEOSSOPVSA-N 469.601 4.208 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C3CC3)C2=O)cc1 1873422418 WOZNOGMASOXRCV-UHFFFAOYSA-N 455.514 4.220 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4cccs4)c3)CC2)cc1 1874731814 WOZJDTPVBPPNHF-UHFFFAOYSA-N 464.587 4.300 10 10 JICE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079987792 YNCMEORBXLQLEF-QGZVFWFLSA-N 470.307 4.111 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 2293485559 CTFMUIBLKIUCOM-UHFFFAOYSA-N 495.517 4.090 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2293993153 OMOQLAOEYSOUKN-UHFFFAOYSA-N 460.873 4.221 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C2=O)cc1 2294095295 ONHBNMFLXLULND-UHFFFAOYSA-N 496.498 4.394 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cccc(O)c1 2296881715 XKHYENLXUFEHRD-UHFFFAOYSA-N 463.378 4.385 10 10 JICE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=N)N12 2297333683 AKXIJPXGUBEMQZ-UHFFFAOYSA-N 466.430 4.481 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 2297352803 YEYOVJHYUDXSBY-UHFFFAOYSA-N 476.606 4.126 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2313558033 REMOSBJXMBYDSR-UHFFFAOYSA-N 454.797 4.104 10 10 JICE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([S@](=N)(=O)O)cc3)o2)SC1=S 2314650696 WYUGYJVGPHYICU-AWEZNQCLSA-N 498.629 4.233 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314828965 XIHHMDBWUUFUTN-UHFFFAOYSA-N 457.533 4.224 10 10 JICE Cc1cc(C=CC(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 2324534941 QWIRSWXOFSGGAK-UHFFFAOYSA-N 455.484 4.265 10 10 JICE CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1 11858071 KFKRZCRUQFMURC-ZDUSSCGKSA-N 459.549 4.118 10 10 JICE Cc1ccc(OCCCOc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c(C)c1 33437967 DDRZBPSIXBKLAJ-XQNSMLJCSA-N 474.513 4.406 10 10 JICE Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(N)c1/N=N/c1ccc(S(=O)(=O)O)cc1 111459861 UCMZEYARGFADTM-MBALSZOMSA-N 476.496 4.175 10 10 JICE Cc1csc2nc(Cl)c(CNCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n12 1860710163 FJWYWLAASPEIGD-UHFFFAOYSA-N 478.961 4.251 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862205504 RBBIFUMZOAPVTR-LYZGTLIUSA-N 481.637 4.220 10 10 JICE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016667 VCKPYGXNSUNTRN-OAQYLSRUSA-N 474.561 4.032 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027049 DRAVTWCFIVYNJR-QFIPXVFZSA-N 494.979 4.343 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028652 XIOKOTRFXRJIJK-SRGWNRLKSA-N 488.588 4.099 10 10 JICE COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1Br 1865966396 XYNZFGKAHUIYGH-OAQYLSRUSA-N 460.416 4.481 10 10 JICE CCC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684860 XWUAOEBFYRBDOU-CYFREDJKSA-N 472.029 4.476 10 10 JICE COC(=O)c1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873921722 SGTXDRIHSUAQPB-MHZLTWQESA-N 494.551 4.214 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 2293039646 WRZSYUYCQDAHLY-UHFFFAOYSA-N 469.544 4.477 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1 2296056379 QTSFREWIKVCYLL-UHFFFAOYSA-N 499.552 4.215 10 10 JICE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 2296538508 TVWMMGZSMLJUSS-UHFFFAOYSA-N 491.516 4.282 10 10 JICE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2296557874 SFBFNQZQOZGSLL-UHFFFAOYSA-N 455.785 4.314 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCC 2313548684 CAKSPMOFLRSUER-UHFFFAOYSA-N 473.323 4.221 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 2314827360 CGYNZAHIHQAKQP-UHFFFAOYSA-N 458.561 4.030 10 10 JICE Cc1csc2nc(Cl)c(C=C3SC(=S)N(c4ccc(O)c(C(=O)O)c4)C3=O)n12 2321681356 PPSYEZXJWYUYRA-UHFFFAOYSA-N 451.938 4.167 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1ccc(OC(C)=O)c(OC)c1)[C@H]1CC=C[C@H]21 14469103 KRVAYLSJLVDCIZ-AXHZCLLHSA-N 450.535 4.213 10 10 JICE O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808716 NNXWXIWWGIUBJT-AQTBWJFISA-N 450.545 4.000 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)c2C)cc1C 35352950 CVZKNIKDGXDQJX-SEYXRHQNSA-N 480.586 4.027 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c(OS(=O)(=O)CC)c1 37422453 XXAXOCBTSDZETB-NRFANRHFSA-N 468.660 4.205 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 228772805 KJSJEXHHOUIIBQ-OPXMRZJTSA-N 482.024 4.266 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(C(=O)CNc2ccccc2C(=O)c2ccccc2)cc1 257657204 VEZXRMVFGZMFKO-UHFFFAOYSA-N 450.560 4.243 10 10 JICE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)c(F)c1 1705622985 BVYYNNPUGXQBBJ-SFHVURJKSA-N 481.641 4.471 10 10 JICE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1C 1858070624 XPUFHBQUDBYGJR-UHFFFAOYSA-N 452.579 4.315 10 10 JICE CCCCOc1cn(CCCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663870 QVQHQWLRYMJLQP-UHFFFAOYSA-N 498.712 4.480 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168995 TWDUJGLQDVVZMY-UHFFFAOYSA-N 488.657 4.162 10 10 JICE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2053498081 HMXYRCKAERNGHO-MRXNPFEDSA-N 480.615 4.105 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2163172008 LZMSSNKKUMQRSC-DYESRHJHSA-N 472.630 4.398 10 10 JICE CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1 2296605636 FCHQGPXOWZTCRD-UHFFFAOYSA-N 474.469 4.032 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2297352759 SZLLSVUSAMTEFU-UHFFFAOYSA-N 452.971 4.420 10 10 JICE CCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509112 YDDLXGKRUHHMNI-UHFFFAOYSA-N 491.613 4.022 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccc(F)cc3)nc12 2314509489 UQTWXRAJMSBIRA-KRWDZBQOSA-N 497.573 4.315 10 10 JICE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 2314522807 ZCMIDNFXINLYTG-UHFFFAOYSA-N 479.583 4.158 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 2314831231 GHPCIHYNOZYYKA-UHFFFAOYSA-N 472.588 4.338 10 10 JICE COC(=O)c1c(S(=O)(=O)Nc2cc(C)cc(C)c2)sc2c1CCN(Cc1ccccc1O)C2 15067361 IUOHNFSIFJXHHN-UHFFFAOYSA-N 486.615 4.216 10 10 JICE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 34688536 FPRBNZNZXKHHHQ-QGOAFFKASA-N 458.653 4.487 10 10 JICE CCOC(=O)c1c(C[S@@](=O)c2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 34817509 CTIGWEMWZSPYAS-PMERELPUSA-N 493.423 4.193 10 10 JICE CCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 40562688 XFUYSGPGVOFRQZ-RGEXLXHISA-N 468.648 4.246 10 10 JICE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Cl)ccc1O)N2 65298038 VYOBYLQTSCFVMZ-IBGZPJMESA-N 471.941 4.247 10 10 JICE biogenic O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1OC[C@@H]1CCCO1 71933460 ZXOSINBXGQQPQO-IBGZPJMESA-N 464.484 4.030 10 10 JICE COc1ccc(CCNC(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1OC 254483759 LSYDRQKRSXAQEI-UHFFFAOYSA-N 463.490 4.341 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526367288 MHDYSIBYZBTGKD-XMMPIXPASA-N 462.502 4.238 10 10 JICE CCOc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cccc1OC 1084356818 MFGISZMMWZTVGI-PTNGSMBKSA-N 473.323 4.140 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)CCCC(=O)N2 1859573947 XKFVYEBDACNBRR-UHFFFAOYSA-N 470.532 4.041 10 10 JICE CCc1ccc(/C(C)=C/C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1868661210 NYHOBWNHRGZPRY-RJOAZTIESA-N 495.689 4.248 10 10 JICE CC[C@@](C)(NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868848395 KRCLDNSQQNMYBM-SHQCIBLASA-N 469.601 4.208 10 10 JICE CC[C@@](C)(NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868990127 RWXPJBCOLJXIFH-AFMDSPMNSA-N 472.029 4.476 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969255 KNGVOXPBAGWHRJ-UHFFFAOYSA-N 481.000 4.385 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873167472 IWFLZADZBOABLQ-UHFFFAOYSA-N 490.673 4.410 10 10 JICE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079013703 PFHOIBAGOARQLA-MRXNPFEDSA-N 465.335 4.042 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079859381 BEQWCEKZJPQDLL-CYBMUJFWSA-N 496.223 4.007 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1 2293245259 QGSSGRGYFTXSKO-UHFFFAOYSA-N 450.520 4.182 10 10 JICE Cc1ccc(OCCOCCOc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2)cc1C 2293631576 MERQTDDPHYVBLP-UHFFFAOYSA-N 472.541 4.239 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c([N+](=O)[O-])c1 2294093661 AIVKDKUCQTWQHN-UHFFFAOYSA-N 494.891 4.331 10 10 JICE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2297350984 FLTAZGCAMHPKIG-UHFFFAOYSA-N 477.860 4.494 10 10 JICE CCCCCc1cc(O)c2c(c1)C[C@@H](O)c1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 13376477 UYRCIENQUKZJJU-LJQANCHMSA-N 460.482 4.274 10 10 JICE biogenic,in-vitro COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 39835997 KQCVRMPIXJNMOF-QGOAFFKASA-N 485.562 4.172 10 10 JICE CC(C)(C)c1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858608907 UDIPUGZHXJNASZ-UHFFFAOYSA-N 478.595 4.435 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4c(F)cc(F)cc4F)n(-c4ccccn4)n3)CC2)cc1 1862344751 FOVFPVUGLMSYPN-UHFFFAOYSA-N 493.489 4.323 10 10 JICE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014272 QXEUECLYXZZUAC-HSZRJFAPSA-N 496.567 4.417 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029267 JMPOPNPVMAZUBR-XMMPIXPASA-N 482.540 4.062 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)cc1 1869969302 ACVNFGQERVRZEP-CXUHLZMHSA-N 498.562 4.394 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)cccc21 1874017969 ZWVDNGBQXHGGGM-AWEZNQCLSA-N 489.325 4.216 10 10 JICE COc1cc(Br)cc([C@@H](CCCC(=O)O)NC(=O)OCc2ccccc2)c1O 1952142471 XWQMCXICAVMFOP-MRXNPFEDSA-N 452.301 4.386 10 10 JICE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2040499244 VPMVKNZKAQPGJE-MRXNPFEDSA-N 494.667 4.210 10 10 JICE COc1ccccc1OCCn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21 2293131258 VIZWCTXJSHLOFO-UHFFFAOYSA-N 453.498 4.190 10 10 JICE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2)c1 2296053592 ACKBLUUJZFFGEO-UHFFFAOYSA-N 487.585 4.206 10 10 JICE O=C1C(=Cc2ccc(O)cc2O)SC(=S)N1c1ccc(I)cc1 2296738484 ZZTMAVZEHIVOIL-UHFFFAOYSA-N 455.298 4.108 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 2296881494 KKCBNUOMWGUQDN-UHFFFAOYSA-N 481.643 4.025 10 10 JICE C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)N1C(=O)C(=Cc2cccs2)SC1=S 2296885450 VNSGDEYDWXKDRT-GFCCVEGCSA-N 459.593 4.317 10 10 JICE CCOC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2314760534 KXUMWHKUTJZVKY-UHFFFAOYSA-N 487.002 4.411 10 10 JICE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2323809321 ZOOXZFXGGFLYRL-OAHLLOKOSA-N 453.463 4.308 10 10 JICE CCCN1CC2=C(NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)/C(=C\c2ccc(N(C)C)cc2)C1 136325445 QHBZEXGQUJFOQS-RNEGFDSTSA-N 461.679 4.401 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 210677154 OXIDUUCSZTVTLG-XDHOZWIPSA-N 458.561 4.030 10 10 JICE Nc1ccc(S(=O)(=O)C2(S(=O)(=O)c3ccc(N)cc3)C=CC(N=Nc3ccccc3)=CC2)cc1 888085168 CFFCBPQEVDVLRY-UHFFFAOYSA-N 494.598 4.423 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 1084149930 YMNKJUUQXUJCIH-GZTJUZNOSA-N 471.878 4.145 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)Nc1nc(-c2cccs2)cs1 1860741979 KDGSOGXBQJMHQB-UHFFFAOYSA-N 459.508 4.224 10 10 JICE CCCCOc1ccc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862251268 OXXQLGWWMRELRV-UHFFFAOYSA-N 497.636 4.130 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864016402 ODGJUAHSCNJLMM-NRFANRHFSA-N 476.577 4.228 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030820 RSWXMVMCJUKZKE-HSZRJFAPSA-N 490.604 4.167 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168942 QTULQPKFIPWFOS-UHFFFAOYSA-N 497.599 4.265 10 10 JICE Oc1cc(F)ccc1CNc1cc(I)cc(I)c1 2084173850 ZVOPLJIIIFFBPY-UHFFFAOYSA-N 469.035 4.353 10 10 JICE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 2296713646 NOXOPJLCSOLJGC-UHFFFAOYSA-N 455.492 4.100 10 10 JICE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 2297365229 VBIMAIHTJUYPRB-UHFFFAOYSA-N 454.895 4.125 10 10 JICE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OCC 2297508207 YADGLXPVEHSKKU-UHFFFAOYSA-N 458.561 4.039 10 10 JICE CCC[C@@H](NC(=O)C=C(C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329490258 HOVIKFDMORKLAQ-AREMUKBSSA-N 463.622 4.295 10 10 JICE Cc1ccc(CNC(=O)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380740780 ZOUYMMRPXKMKHM-SFHVURJKSA-N 451.308 4.018 10 10 JICE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 33436547 HMXYRCKAERNGHO-DAMBIUFKSA-N 480.615 4.105 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OCC 40938571 ZQGAKJBOHUWNPC-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 102989758 SXFCQGSABLNLGL-YAJBTMAUSA-N 474.652 4.230 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(c2nsc3ccccc23)CC1 103040887 QIDYIHQKEGJORZ-CAPFRKAQSA-N 494.667 4.236 10 10 JICE O=C(CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 210673401 QTMMXPAPMJCKPV-OVCLIPMQSA-N 467.450 4.454 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226648912 RNPAWDXGROARIG-KHCICDEESA-N 452.551 4.305 10 10 JICE CN(C)C(=O)COc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917636540 CIPRNGHKRDRAFD-QHCPKHFHSA-N 471.517 4.313 10 10 JICE O=C1/C(=C\c2ccccc2O)SC(=S)N1CNc1ccc(I)cc1 1084630235 WBAVSFFIYZUXDY-OQLLNIDSSA-N 468.341 4.268 10 10 JICE CCOC(=O)c1c[nH]c(-c2ccc(OC)cc2)nc1=Nc1cccc2c1C(=O)c1ccccc1C2=O 1859832668 FUGAZMBTQWKBAX-UHFFFAOYSA-N 479.492 4.270 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc32)n1 1869142491 ZKYWZVHPMDUAHL-UHFFFAOYSA-N 475.593 4.086 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCOc4cccc(C)c4)cc3)CC2)cc1 1872720219 UEKKNXUHFKNCRL-UHFFFAOYSA-N 496.629 4.362 10 10 JICE Oc1cccc(F)c1Cn1nc(I)c(Br)c1C(F)(F)F 2079180010 HIQAITGLKGUISS-UHFFFAOYSA-N 464.982 4.162 10 10 JICE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296712279 SHKUEBLCGJTJTK-HOTGVXAUSA-N 470.664 4.487 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 2297482104 CPZXZIBHBLVGPI-UHFFFAOYSA-N 453.564 4.257 10 10 JICE O=C1NC(=Cc2c(Cc3ccccc3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccc(F)cc1 2297602807 DZMJWLUKUSYYIA-UHFFFAOYSA-N 468.488 4.401 10 10 JICE O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1ccc(O)c(O)c1O 2308894686 FMIODQTXNFGWPQ-QCMNRSGXSA-N 473.481 4.200 10 10 JICE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1 2314457938 UQYHJEZMOIDDSQ-UHFFFAOYSA-N 487.585 4.180 10 10 JICE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OC 2314768103 CYNZXZTXCRSPJZ-UHFFFAOYSA-N 493.404 4.321 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCc1ccccc1 2314828104 QJRFVMGZYIVBNG-UHFFFAOYSA-N 461.406 4.357 10 10 JICE CCCN1N=C(c2ccccc2)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)C1=O 2332139844 ZDGJHYHBITYGHG-UHFFFAOYSA-N 463.578 4.372 10 10 JICE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)o1 20356597 OGFZKMBWQQKNRV-OLOAGALHSA-N 464.507 4.226 10 10 JICE Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 21654528 PNSXQLKWZFUNBV-UHFFFAOYSA-N 456.590 4.292 10 10 JICE CN(C)c1ccc(CNC(=O)C2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)cc1 64873579 BEXBFKCRLSVXNF-UHFFFAOYSA-N 495.627 4.044 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 208278316 FPBMBMDSNLNNFA-PXLXIMEGSA-N 477.611 4.481 10 10 JICE CCOc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586304289 NWTXOWKZZHOBNS-UHFFFAOYSA-N 477.538 4.239 10 10 JICE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1 1083952850 XJLCDXMDBIGIPR-PTNGSMBKSA-N 484.892 4.357 10 10 JICE CC(=O)N1CCN(Cc2ccccc2NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 1203467281 NXKUQVYBRXTYMO-UHFFFAOYSA-N 459.594 4.080 10 10 JICE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2cccnc2)cc1 1858901642 UVLMMEPWBSMJAC-UHFFFAOYSA-N 477.476 4.398 10 10 JICE CCCOc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1860714105 LYIMSQQLILRNCI-UHFFFAOYSA-N 472.541 4.378 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(C)Cc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027852 MKUQLUGGQKWFIP-RUZDIDTESA-N 496.567 4.254 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309817 DMHNBRKEGWCARI-KAYWLYCHSA-N 494.680 4.393 10 10 JICE Cc1ccc(O)c(Cn2nc(I)c(Br)c2C(F)(F)F)c1 2079186284 PLUIZIMNLXARKG-UHFFFAOYSA-N 461.019 4.331 10 10 JICE O=C(N[C@H]1C(F)(F)C12CC(NCc1cccc(Br)c1O)C2)OCc1ccccc1 2142147318 VQTHBMSXRIWRAS-RVSXGSNBSA-N 467.310 4.337 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 2293735602 SANIQQFTPAHRDJ-UHFFFAOYSA-N 487.581 4.411 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3cccc(C)c3)C2=O)cc1Cl 2296397869 DABGMSKYJVAQHZ-UHFFFAOYSA-N 479.920 4.204 10 10 JICE CCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCOC)C2=O)cc1)C(Cl)(Cl)Cl 2296727646 USGFTCPTJQZNFM-INIZCTEOSA-N 497.853 4.136 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4cccn4CCCOc4ccccc4)C(=O)N=C3S2)CC1 2297353195 TVFXNNCUPNQBPX-UHFFFAOYSA-N 476.606 4.266 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(C(=O)O)c1 2297359709 HPEMLJYIPOYOBU-UHFFFAOYSA-N 476.872 4.284 10 10 JICE COc1cccc(C(=O)Oc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 2297364096 ZLZOSHYJUCAAIR-UHFFFAOYSA-N 493.313 4.138 10 10 JICE CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OC(C)=O 2297456154 LCXSAUZMGPMJMK-UHFFFAOYSA-N 487.306 4.277 10 10 JICE O=C1C[C@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314833612 USMIHXAVMHTUKK-HNNXBMFYSA-N 462.474 4.239 10 10 JICE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)ccc4OC)n3)cc21 11857654 MTTCCHREPXYRRV-UHFFFAOYSA-N 473.576 4.063 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 13641045 VHXKEYRYXWPQPL-STSQHVNTSA-N 458.580 4.226 10 10 JICE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OC(C)=O 13915476 LCXSAUZMGPMJMK-RQZCQDPDSA-N 487.306 4.277 10 10 JICE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15040724 YPILSITTYZZPGM-ATPAHOSSSA-N 470.572 4.050 10 10 JICE O=C1/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33723223 IJJNBOSWNBJDKB-SILNSSARSA-N 476.627 4.493 10 10 JICE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 38195907 WMFXEKLTQGSVET-MLJKTZRHSA-N 496.360 4.228 10 10 JICE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 47152412 HZOPCEQTHHQTLH-XACIZNRCSA-N 452.517 4.305 10 10 JICE Cc1ccccc1N1C(=O)/C(=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C(O)=NC1=S 59857916 HJRSODCIGKINOK-XDHOZWIPSA-N 461.503 4.377 10 10 JICE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 213173444 OVQBWAUSAKUBBV-AQTBWJFISA-N 495.582 4.170 10 10 JICE CC[C@@H](C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(Cc1c(O)ccc3ccccc13)C2 299772103 ZGSSRBTWYYGTPR-OAHLLOKOSA-N 488.631 4.029 10 10 JICE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CC(=O)O)C1=O 1858588468 HFXHQKKBSPWDKK-NYYWCZLTSA-N 463.890 4.416 10 10 JICE CSCC[C@@H](NC(=O)c1cccc(Cl)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866567021 MTWHZZHHAVRHIN-LJQANCHMSA-N 493.972 4.001 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1 2294095250 MHVPIVJFKROQBS-UHFFFAOYSA-N 478.508 4.255 10 10 JICE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 2297331073 GOFVJJKQFLBKSM-UHFFFAOYSA-N 482.471 4.086 10 10 JICE Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 9778844 VKFCDYWGLGRVSW-XZOQPEGZSA-N 459.933 4.467 10 10 JICE Cc1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33382816 SFKHGGJSLPMEBQ-UDWIEESQSA-N 482.606 4.096 10 10 JICE COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(C)=O)N2c3ccc(OC)cc3C=C[C@@H]21 33759503 NFPFTRNKHLOOPI-AZKZNFPZSA-N 481.346 4.097 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OS(C)(=O)=O 35212688 KLJUMQHLTXGWFK-MHWRWJLKSA-N 469.993 4.401 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310977 XYUSUPYIZMDAEZ-QFIPXVFZSA-N 493.069 4.398 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247485070 KJSJEXHHOUIIBQ-AMDXRBSFSA-N 482.024 4.266 10 10 JICE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864007572 PPZZKNGPFNZOHI-IBGZPJMESA-N 489.359 4.118 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(=O)c4cc(-c5ccccc5C)ccc4[nH]3)CC2)cc1 1866563597 JSSPASNWBYDIBX-UHFFFAOYSA-N 453.542 4.475 10 10 JICE CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866938527 DKOWXXDIUWHPEM-FSSWDIPSSA-N 470.500 4.238 10 10 JICE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccc(C)cc2)cc1 1869970425 RLRDMOJKFXDKMT-UHFFFAOYSA-N 496.615 4.148 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164800 SLADBSWYDNIVJN-UHFFFAOYSA-N 497.574 4.390 10 10 JICE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccccc3)ncnc21 1875203575 AXNDTZNXMDMKJP-UHFFFAOYSA-N 498.631 4.467 10 10 JICE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccccc1F 2314488811 YVSPFIIYRMXXIT-UHFFFAOYSA-N 467.341 4.095 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)C1(NC(=O)OC(C)(C)C)CCCC1 2341289834 RMVXQUTWLRIRSU-FQEVSTJZSA-N 462.635 4.312 10 10 JICE COc1cccc(CNn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1O 27532267 ANMJXTRVNUXNML-UHFFFAOYSA-N 452.308 4.284 10 10 JICE COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 39850185 ZCMIDNFXINLYTG-STZFKDTASA-N 479.583 4.158 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 39861535 DFHPKCWWROLCFT-WOJGMQOQSA-N 451.485 4.360 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 54311016 MEHMWPCHNAOSDZ-QFIPXVFZSA-N 479.042 4.089 10 10 JICE COc1ccc(N2C[C@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 145545423 OIWVNMRPHUCLHN-HOTGVXAUSA-N 473.570 4.390 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526633791 WSGNGWSGAWXANO-JOCHJYFZSA-N 467.449 4.320 10 10 JICE COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860551520 GPCZNAUCSKKOHJ-UHFFFAOYSA-N 477.476 4.370 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(N)=O)sc(C)c1-c1ccc(F)cc1 1860768291 ZMNSMQWLXIZIFU-UHFFFAOYSA-N 489.550 4.085 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012774 IZFCGWIHKBIVDA-HSZRJFAPSA-N 488.588 4.049 10 10 JICE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868480521 DGIPHOSBLZTBDD-AWEZNQCLSA-N 450.502 4.151 10 10 JICE CCC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868999644 PQJTZZDDGOEQFI-NTKDMRAZSA-N 472.029 4.476 10 10 JICE CCCCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871202413 WZEYKVQAJIPGCU-FQEVSTJZSA-N 479.577 4.307 10 10 JICE CN(C)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873896184 QUWZYBYTZPQMIY-NDEPHWFRSA-N 479.584 4.493 10 10 JICE C[C@H](Sc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179546 JGCJWKXPNHYDCL-ZDUSSCGKSA-N 455.495 4.230 10 10 JICE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)c1C 1892129287 GZIVGCBYNBGXGF-RNXOBYDBSA-N 495.689 4.378 10 10 JICE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712253 OHCXVNJUARZIAZ-UHFFFAOYSA-N 471.991 4.307 10 10 JICE COc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1=O 2296885412 TYCFIBNBTKJLQL-HNNXBMFYSA-N 465.600 4.125 10 10 JICE N=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335714 RTFCYHIXKKUEHE-UHFFFAOYSA-N 488.550 4.122 10 10 JICE CN(C)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314765178 WXIIZQIJZGBBCH-UHFFFAOYSA-N 462.394 4.061 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCCc1ccccc1 16214133 AELWLHGMPAOPQI-KQWNVCNZSA-N 492.553 4.370 10 10 JICE Cc1ccc2nc(NC3CCCCC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33528808 DIQHIHLSWGXILF-UEXNTNOUSA-N 484.647 4.128 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33723526 LYFOMRJXWGRZOX-AYCSXLNKSA-N 454.577 4.208 10 10 JICE CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751715 NNEQDDYXUCMGDY-RGEXLXHISA-N 480.615 4.317 10 10 JICE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990105 ONWBYGJSVBPSSU-QJHUTNDBSA-N 458.653 4.142 10 10 JICE CCOC(=O)CN(Cc1ccccc1)/N=N/c1cc(OCC)c(N2CCOCC2)cc1OCC 1860484626 WTISYGNSFATTJK-CYYJNZCTSA-N 470.570 4.385 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862056234 UGJJXGMCLYJRDX-VWLOTQADSA-N 481.637 4.367 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864014448 VHANRBIRZRUFOD-JOCHJYFZSA-N 494.567 4.053 10 10 JICE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014547 XUZXKZZFRDZMMN-QFIPXVFZSA-N 482.540 4.170 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864018717 AYQXYUZBZFDLGX-QHCPKHFHSA-N 490.604 4.296 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865030402 JDLSZTINWRXXSM-HSZRJFAPSA-N 490.604 4.399 10 10 JICE CCCN1N=C(C(F)(F)F)/C(=C/c2cc(Br)cc(Br)c2O)C1=O 1865673189 VJUQLBPVRGOCKN-UITAMQMPSA-N 456.056 4.471 10 10 JICE CCOC(=O)C1=S=C(NC(=O)c2ccc(-c3ccc4cnccc4c3)cc2)C(C(=O)OCC)=C1C 1866180951 JGMICRFYDBDDAI-UHFFFAOYSA-N 488.565 4.123 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868707607 QNNHUVPYKXWMRP-BDYUSTAISA-N 483.628 4.454 10 10 JICE CCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871697266 MGFAKZRQGVDPBC-UHFFFAOYSA-N 490.656 4.040 10 10 JICE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O 1873170113 OITUZMJXSOWGBS-UHFFFAOYSA-N 482.628 4.448 10 10 JICE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2080038362 QTARXKFWKADOSI-SFHVURJKSA-N 455.340 4.174 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2294133920 MVRDJPSMSFDYGS-UHFFFAOYSA-N 487.468 4.157 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCCCOC(C)C)nc12 2296731253 JDERRRJCRLLOMI-UHFFFAOYSA-N 498.630 4.224 10 10 JICE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 2297482138 TWXXIUIVSMBGSK-UHFFFAOYSA-N 456.932 4.286 10 10 JICE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 2313558774 JOMCLPLYOYWUOP-UHFFFAOYSA-N 480.492 4.384 10 10 JICE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)cc1 2313560776 GNSQRXBEMOSPNG-UHFFFAOYSA-N 466.154 4.043 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414359 XCYSJZDAFVKIII-UHFFFAOYSA-N 468.579 4.365 10 10 JICE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1 40939816 VCFJJODYBPXJBC-MRCUWXFGSA-N 471.563 4.150 10 10 JICE CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413129 MXGJVUYMRSVKMH-IZILLXMLSA-N 499.390 4.060 10 10 JICE COc1ccc(NC(=O)[C@H]2Cc3ccc(OC)cc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 96456922 DPGYKIDKNIZLCU-AHKZPQOWSA-N 473.573 4.219 10 10 JICE CCCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCC(=O)OC)C1=O 98031551 WSYNRRBDBGARFM-PTNGSMBKSA-N 458.399 4.392 10 10 JICE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 251987320 HWUHDGMZGWDNOQ-IMBSWCNGSA-N 476.573 4.199 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)o1 1084484602 DGITVZZCZLZZSC-PDGQHHTCSA-N 461.430 4.147 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OC 1084639708 CIXNTBIAFUFITC-QPEQYQDCSA-N 479.714 4.095 10 10 JICE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1705525778 VAIVYRUMRXQRDH-UHFFFAOYSA-N 472.637 4.461 10 10 JICE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(F)(F)F)CC1 1705635241 UUQWCWNDSYVLCT-UHFFFAOYSA-N 486.542 4.034 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)sc(C)c1-c1ccc(Cl)cc1 1860759562 WWWKTKKJMNFOQD-UHFFFAOYSA-N 457.939 4.204 10 10 JICE CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1862158613 HYGDXDBETQUCIL-RZRGDOCTSA-N 499.611 4.313 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(CC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864020692 FJLODYSJBGBXNA-QMHKHESXSA-N 490.604 4.401 10 10 JICE CCCC[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867151056 BMUOZCDVJZASQY-HXUWFJFHSA-N 471.513 4.255 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4cccs4)c4ccccc34)[C@H]21 1873862799 QTLATPZMMPKEOF-VWLOTQADSA-N 456.571 4.166 10 10 JICE COC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079217143 YVNGXOZIRXTIMC-UHFFFAOYSA-N 494.129 4.066 10 10 JICE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C 2313631500 PAKFRUCAPWTDQE-UHFFFAOYSA-N 450.495 4.105 10 10 JICE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1Cl 2314650730 ZFLVZJLMRCWTCX-AWEZNQCLSA-N 465.936 4.428 10 10 JICE C[C@@H](NC(=O)CCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314832050 YPILSITTYZZPGM-OAHLLOKOSA-N 470.572 4.050 10 10 JICE CCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 1809471 CDNUGXNUFBZLNU-QZQOTICOSA-N 466.584 4.066 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 15037835 CGYNZAHIHQAKQP-UYRXBGFRSA-N 458.561 4.030 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCC(C)CC2)SC1=S 33470183 ZYDAMQQOAJWTDW-IYSPOMMRSA-N 458.653 4.284 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 38195906 WMFXEKLTQGSVET-GRRFOWRYSA-N 496.360 4.228 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 210497977 XGWWTUOHJYOHHL-CXUHLZMHSA-N 495.485 4.132 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1OC 526158188 NTFAYXTZMJAEHK-VWLOTQADSA-N 491.496 4.334 10 10 JICE COc1ccc(N2CCN(C(=O)COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3)CC2)cc1 1860255658 ZJMWOUKVJLGSAS-UHFFFAOYSA-N 498.579 4.428 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864008055 AULSXZOLOLSEIY-MYRUOYEDSA-N 488.588 4.041 10 10 JICE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864020210 WXVYFWJKAOKWOT-UZUQRXQVSA-N 490.604 4.131 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032735 JMPQUNJEDJKXNV-OAQYLSRUSA-N 494.979 4.206 10 10 JICE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H](CO)C2)n1 1868227068 ADHITMHRMVCZOW-QGZVFWFLSA-N 456.546 4.328 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868721754 ZGQHXQIEOZRWKP-ZBLYBZFDSA-N 489.591 4.210 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c([N+](=O)[O-])c1 1873962616 QIIGAAHGAYLULJ-UHFFFAOYSA-N 495.495 4.130 10 10 JICE CCn1c(C=Cc2ccc(N3CCOCC3)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 2040455258 SDCWPPDCENEWLL-UHFFFAOYSA-N 465.497 4.357 10 10 JICE COC(=O)CCCCCN1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314717431 TYQZWWSJRPMPSR-UHFFFAOYSA-N 458.399 4.392 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cc(Br)ccc2O)cc1 2332125546 NLSWQAXMSRWDNH-UHFFFAOYSA-N 450.292 4.393 10 10 JICE CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(O)c(O)c(OC)c3)c3ccccc3C2=O)cc1 13069789 IEVZNISIXKTEPM-NDENLUEZSA-N 459.454 4.011 10 10 JICE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2)c1 20114548 MMWYXXMZCVJLIT-BIWIXZEJSA-N 468.560 4.093 10 10 JICE COc1ccc(N2CCN(c3ccc4cc(S(=O)(=O)N5CCCC[C@H]5C)ccc4n3)CC2)cc1 32943643 OTNAICOTDHQEHG-HXUWFJFHSA-N 480.634 4.133 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3c(-c4ccc(C)cc4)nnc4ccccc34)CC2)cc1 32952951 HVYAAWFVQNDTNL-UHFFFAOYSA-N 481.600 4.166 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 96460443 ZRLKXHIKYHNPAQ-PZRDSRLZSA-N 483.358 4.265 10 10 JICE COc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 101974138 YGCGTJXUUGHUGU-MGVLZRSZSA-N 464.568 4.175 10 10 JICE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]3C2)cc1 169677444 GGYKJRAVXHYOPE-VPUSJEBWSA-N 475.564 4.027 10 10 JICE COCCCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C[C@H]1CCCN2CCCC[C@H]12 1614472411 GVMLBFRKNAMGFQ-CJFMBICVSA-N 468.638 4.480 10 10 JICE CC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)ccc1Br 1661759311 WSRABOXVQGGBFS-UHFFFAOYSA-N 452.370 4.491 10 10 JICE CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860083797 YFDYICXLLXWANU-CYBMUJFWSA-N 455.492 4.488 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862144016 GNKGSJQELISTOV-ZNGDTJSRSA-N 488.415 4.355 10 10 JICE CCCC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868936465 FWQCYQCPASSDEO-SANMLTNESA-N 493.648 4.299 10 10 JICE COc1ccc(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166153 DYUYHFWJQMWQCA-RUZDIDTESA-N 485.584 4.151 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCCc3ccccc3)cc1C2=O 1873915154 KVXBEUFJFBNCSI-UHFFFAOYSA-N 499.519 4.065 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H](O)c1ccc(Cl)cc1 1873971034 NZFBYZKKNXMPQA-DEOSSOPVSA-N 498.970 4.078 10 10 JICE CCOCCOC(=O)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1874011560 CHLUGWOIKFAVNH-UHFFFAOYSA-N 482.492 4.160 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc(O)c(O)c(O)c1 1952826540 ZRNLTLQODROXEE-AUSIDOKSSA-N 461.470 4.200 10 10 JICE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080022036 DRXXKJCZUOMLOL-MRXNPFEDSA-N 467.351 4.206 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080053508 JACDGTYVFUCMQM-CQSZACIVSA-N 463.266 4.092 10 10 JICE CN1C(=O)C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2296732317 UWBKQBZVXZNVDP-UHFFFAOYSA-N 474.361 4.080 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Cl)c(Cl)c3)C2=O)cc1 2297346671 IYUWFQQXUDLNPU-UHFFFAOYSA-N 456.285 4.459 10 10 JICE O=C1C[C@@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314833613 USMIHXAVMHTUKK-OAHLLOKOSA-N 462.474 4.239 10 10 JICE COc1cc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(Br)c1O 2323756302 HYCHZANWVHNENR-UHFFFAOYSA-N 480.361 4.293 10 10 JICE CC[C@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330447740 KAVIIQMWKQMSPG-QFIPXVFZSA-N 452.510 4.399 10 10 JICE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NC12CC3CC(CC(C3)C1)C2 33417685 METWJYDQGIFTNJ-AWQFTUOYSA-N 470.616 4.092 10 10 JICE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066603 LEPQIVFTYVEXJH-KVMVOAJRSA-N 452.605 4.177 10 10 JICE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3cccc(Br)c3)C2=O)c1 62049656 YUWUIXLMLRVQSU-GZTJUZNOSA-N 477.405 4.089 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 214758691 UMDQRGZJDZEHSE-OBGWFSINSA-N 493.607 4.118 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3cc(NC(=O)c4ccccc4)ccc3C)CC2)cc1 743294107 AFKZKKOREPIPJX-UHFFFAOYSA-N 487.604 4.200 10 10 JICE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705702537 NIDREXJLSWSDCA-OFVILXPXSA-N 453.631 4.183 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)C2CCC2)cc1 1858906722 BCCVMDHWZURPBU-UHFFFAOYSA-N 454.482 4.489 10 10 JICE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(OC(F)(F)F)cc1 1860721433 UFVGWMVLSCTODY-UHFFFAOYSA-N 453.642 4.435 10 10 JICE CCCC[C@@H](NC(=O)Cc1ccc(OCCC)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861900103 IMTPBTKZPPMLAD-AREMUKBSSA-N 495.664 4.359 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029844 WLZKEWLOPKQTPE-GAJHUEQPSA-N 488.588 4.332 10 10 JICE CCCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658731 GDLQDNFGXWRSBD-UHFFFAOYSA-N 465.569 4.155 10 10 JICE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)CCN(Cc2ccccc2)C1 2124506479 XRZGLWUQECZZNZ-YKSBVNFPSA-N 456.591 4.095 10 10 JICE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2163089664 NJABXANVMLJKRU-NRFANRHFSA-N 472.630 4.446 10 10 JICE CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3C)N=C2C)c(C)c1 2294259212 SRIYWHLREFTYLO-UHFFFAOYSA-N 454.596 4.361 10 10 JICE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296703454 OWBDUDKUOMANDS-MRXNPFEDSA-N 468.648 4.465 10 10 JICE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=S)N(c2cccc3ccccc23)C1=O 2313547731 ALKJGKAABOEZFL-UHFFFAOYSA-N 497.536 4.382 10 10 JICE C[C@H](C(=O)Nc1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836404 DYVFYJQSEFBAHQ-LLVKDONJSA-N 463.378 4.383 10 10 JICE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15047432 RVCHQUCCVBDAOC-CQLSMYGBSA-N 488.587 4.037 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1Cl 20236280 PHIGSEMBDWIGBC-AZPPRZRYSA-N 453.882 4.257 10 10 JICE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33625235 QMKINLOPNTYORJ-OBGWFSINSA-N 456.637 4.465 10 10 JICE CCCC1=NN2C(=N)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 34890265 PXPYAKKCWOJDSS-KFGVSYDZSA-N 468.560 4.182 10 10 JICE C#CCCCCn1c(N(C)Cc2ccccc2O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521386 AIAGOMPWQFEHFP-BGYRXZFFSA-N 453.587 4.194 10 10 JICE CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccccc3)n2)CC1 1859832770 LHXWKCIDTWZPMV-UHFFFAOYSA-N 475.552 4.414 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCCCCN2CCCC2)sc(C)c1-c1ccc(C)c(C)c1 1860760628 ARUBPRMPNNGAHO-UHFFFAOYSA-N 471.623 4.058 10 10 JICE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012423 ZNBGJXARNQIWLC-QFIPXVFZSA-N 494.979 4.058 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccc(Cl)cc1 1865679461 OIRKWJIVAKOYRT-AUWJEWJLSA-N 467.787 4.364 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3cc(Cl)cc(Cl)c3c2=O)c2nccn2C)cc1 1866454938 DSYOLTLQJAXNQO-FQEVSTJZSA-N 470.360 4.154 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422265 NXZRHDWKSRVDLD-UHFFFAOYSA-N 476.964 4.076 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2080030458 MZTXMMRAXVGRPR-LJQANCHMSA-N 467.351 4.318 10 10 JICE CN[C@H](c1ccc2c(c1)CCCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106868295 QYOPFFKEUNKMHD-UKILVPOCSA-N 452.643 4.355 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2294229450 USNHEGOFXRUJPK-UHFFFAOYSA-N 482.359 4.080 10 10 JICE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15046955 UFCINNXCQILSGR-OKHBPPCESA-N 463.378 4.383 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCc3ccccc32)cc1 16914692 GLMJKNNYDHEHON-HSZRJFAPSA-N 457.546 4.113 10 10 JICE CCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 20175442 BHHSUHREGHITLM-WJDWOHSUSA-N 493.404 4.403 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)N1CCCCCC1 59087180 GLRBQMTVROXITH-STZFKDTASA-N 474.517 4.139 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413138 PHABCNFONQNESR-MOPGFXCFSA-N 456.955 4.030 10 10 JICE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 104915797 PBYCTIGDVTWNFS-GGAORHGYSA-N 459.512 4.108 10 10 JICE CCN(CC)c1ccc(CNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1F 731346820 XINLSQWDNLZXLU-UHFFFAOYSA-N 454.590 4.252 10 10 JICE CC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)=NN1c1ccccc1 1524702890 GRIYFYASBBZBOP-XDHUDOTRSA-N 452.986 4.416 10 10 JICE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1705708200 ZKFABPAIKFDFHY-NZQKXSOJSA-N 453.631 4.282 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(N5CCCC5=O)cc4)n4ccccc34)CC2)cc1 1858350236 DIIATJPCYQODGI-UHFFFAOYSA-N 495.583 4.099 10 10 JICE CCCc1nc(N2CCC(N3CCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867976068 ARJSCFZTIMOUIZ-UHFFFAOYSA-N 478.685 4.219 10 10 JICE O=[N+]([O-])c1c(I)nn(Cc2cccc(C(F)(F)F)c2O)c1C(F)(F)F 2079215151 YPTHAPVPTBTDMM-UHFFFAOYSA-N 481.090 4.187 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 2296709092 SZJMYQJXEQHLFC-QGZVFWFLSA-N 479.583 4.175 10 10 JICE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641131 BTWXQYVUVRCUKH-IXFSTUDKSA-N 458.580 4.227 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526480733 XLUNZUNYSCPZKL-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCN(CC)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccs1 586214578 JAZRBBHTFSNECN-UHFFFAOYSA-N 468.600 4.061 10 10 JICE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 1084049943 SAEGIKHQOASYAV-LTGZKZEYSA-N 470.485 4.405 10 10 JICE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(I)cc1 1084437698 NWSWDGZOLGTLCH-DHDCSXOGSA-N 497.339 4.470 10 10 JICE CC(=O)N[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cccc(Br)c1 1144772820 KUVFDGPWHZIEIR-JOCHJYFZSA-N 458.400 4.179 10 10 JICE COCCN(Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1614472150 LGXMUJAIHACVDI-JXFKEZNVSA-N 468.516 4.230 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864014618 ZFZHUPQVTQPZTI-HSZRJFAPSA-N 490.604 4.285 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864022117 TXDUQPSDKDKCKC-OAQYLSRUSA-N 496.995 4.177 10 10 JICE Cc1c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2ccc(Cl)cc12 1866292817 FQNYBCMXSTXCFI-NRFANRHFSA-N 450.926 4.074 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4-c4ccccc4)n(C)n3)CC2)cc1 1869969854 VVZYJVKTIZWRFU-UHFFFAOYSA-N 468.561 4.070 10 10 JICE CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870318072 QMHMMDJHNHSMGF-UHFFFAOYSA-N 491.632 4.437 10 10 JICE CC(C)(c1cc(O)c(O)c(O)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952542888 LQMAOKYLLONSLB-QHCPKHFHSA-N 463.486 4.073 10 10 JICE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)O)o2)C(=O)NC1=S 2293233192 GGVIPUIQKSWHES-UHFFFAOYSA-N 466.902 4.438 10 10 JICE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2297467756 CGQLBERSBQHGHJ-UHFFFAOYSA-N 467.510 4.277 10 10 JICE COc1ccc(C=C2SC(=S)N(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 2297565303 KGQKTBJTMCIXBV-UHFFFAOYSA-N 489.625 4.358 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414535 BSFOOVOVWJFOPV-QGZVFWFLSA-N 486.663 4.375 10 10 JICE O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314838021 ZZROCDDJJORJHE-UHFFFAOYSA-N 499.452 4.192 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15036017 OGDJQTZJTWSVAT-YVLHZVERSA-N 476.963 4.062 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(OC)c3)C(=N)N12 96459437 CTZATEZZAMCXMU-ARFHJRQPSA-N 482.587 4.483 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC[C@@H](C)COc1ccccc1 101425690 ZXBMNCCZVRQNTQ-MIDMBNTASA-N 458.514 4.251 10 10 JICE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)C1=O 1084461322 UHDMFCZAIFGIFU-VBKFSLOCSA-N 458.312 4.007 10 10 JICE CC(C)OC(=O)c1cccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c1 1860720898 AISJJXBAHPGDIH-UHFFFAOYSA-N 455.736 4.102 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864019295 HYAABRYEXUQWSD-OAQYLSRUSA-N 496.995 4.169 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865031881 QOWBEBPHWYNBNO-QFIPXVFZSA-N 488.588 4.467 10 10 JICE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1C(=O)CSC1=S 1865768960 ZIOYAXFPHUHMEE-UHFFFAOYSA-N 462.618 4.398 10 10 JICE CC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866824622 DBYKKARLWVWQAF-FQEVSTJZSA-N 479.492 4.264 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C(C)=C/c3ccccc3Cl)C(C)C)CC2)cc1 1868745851 XELOHSRIFYADRQ-HJMGBZSKSA-N 470.013 4.242 10 10 JICE CC[C@H](C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868837598 QSYZOHLBHQBEHU-QFIPXVFZSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](C)c3cccc(Cl)c3)CC2)cc1 1868989154 KZGSFQFOBRGXMF-GOSISDBHSA-N 458.002 4.086 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(F)c(Cl)c4)ncc3[N+](=O)[O-])CC2)cc1 1871306996 BERIQRUACIRLEX-UHFFFAOYSA-N 458.881 4.256 10 10 JICE CC(C)(C)OC(=O)N[C@H](CCC(=O)O)c1cc(Br)cc(Br)c1O 1951657073 JXWFOAKOWVIHMM-LLVKDONJSA-N 453.127 4.348 10 10 JICE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1962934293 PFLUKGAQSUAPIC-SANMLTNESA-N 474.557 4.320 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2c(O)cccc2Br)[C@@H](C(F)(F)F)C1 2163267919 CZOZJGCRAKKARL-AAEUAGOBSA-N 453.299 4.290 10 10 JICE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccc(O)c(O)c1 2248920769 OCJCDYRKUVMWHE-UHFFFAOYSA-N 460.530 4.075 10 10 JICE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1 2296756284 WYPYNFKOPQOFNF-UHFFFAOYSA-N 466.584 4.044 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C(=Cc3ccccc3OC)O4)CC2)cc1 2297384430 YSGQLFWWTZQIAK-UHFFFAOYSA-N 485.540 4.038 10 10 JICE CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1 2297730719 BLFWRFNKVJBEFD-UHFFFAOYSA-N 488.891 4.276 10 10 JICE O=C(C=Cc1ccco1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 2321143007 DNFFPPOQDCGUBZ-UHFFFAOYSA-N 463.449 4.354 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCOCC1 14460934 MTIUTFMQKYSOKB-DRSNIGMVSA-N 491.407 4.002 10 10 JICE Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 34990086 BXOOEOZRYDGMQK-NDENLUEZSA-N 470.597 4.304 10 10 JICE COc1ccc(C)cc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526452012 WNEKWKIMNMILSD-QHCPKHFHSA-N 463.486 4.489 10 10 JICE COc1ccc(N2CCCN(C(=O)C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 727307179 KMGKFBXHFRKCDW-UHFFFAOYSA-N 450.608 4.260 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC)c(OCC)c3)C2=O)c1 1084591940 JZPZBMDDJVPHDJ-YBEGLDIGSA-N 488.924 4.211 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)CC1 1760597497 QXUSVWOIEZZNSQ-UHFFFAOYSA-N 477.059 4.296 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(O)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867980734 WQSMSJPOWQWEQA-UHFFFAOYSA-N 480.012 4.093 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(-c4ccccc4)n3)CC2)cc1 1869193297 BXQHDSMQBCIXAS-OAQYLSRUSA-N 473.621 4.483 10 10 JICE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 1881513569 RPFMYQNMVGZXMR-SFTDATJTSA-N 464.651 4.272 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(OC)c1 2297347546 GRGVABZIPPBBSO-UHFFFAOYSA-N 481.892 4.417 10 10 JICE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1 2297352728 QHFKWTPPXWHXAW-UHFFFAOYSA-N 492.605 4.174 10 10 JICE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S 2314650397 DRBZYNCSOCFVHH-ZDUSSCGKSA-N 451.909 4.119 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(I)o2)SC1=S)c1ccccc1Cl 2314717788 WWZXGFHZULZABP-UHFFFAOYSA-N 490.731 4.084 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14461601 HFRQFDIZLRLUKQ-FXSPECFOSA-N 467.635 4.380 10 10 JICE COc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c2O)cc1 34222021 BKOIKGLQOLMXTO-WQRHYEAKSA-N 452.854 4.055 10 10 JICE COCCN(C)c1ccc(/N=N/C2=NN(C)[C@@H](/N=N/c3ccc(N(C)CCOC)cc3)N2C)cc1 38642735 LLRBOYIMKLMMRM-DFFZNYICSA-N 481.605 4.151 10 10 JICE CC[C@H](C)N1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 102994628 HJDIOPIPAGEURW-JUKWODAISA-N 494.642 4.148 10 10 JICE Nc1ccc(CCC(=O)Nc2cc(I)cc(I)c2)cc1 690380868 BRGULRHSSZVREC-UHFFFAOYSA-N 492.098 4.049 10 10 JICE C[C@H](Nc1cc(I)cc(I)c1)c1c(O)cccc1O 690406670 AHTIVZLVEJMYND-QMMMGPOBSA-N 481.071 4.480 10 10 JICE COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccc(N(C)C)cc2)n(C)n1 1616154963 QRMPWHSCDFLJHT-RSEQLOHWSA-N 459.638 4.129 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4ccccc4Cl)cn3)CC2)cc1 1858432815 WOPJROARTVEJJS-UHFFFAOYSA-N 472.998 4.012 10 10 JICE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858592826 YNAMSIJQFHYRDS-MDNIKOHYSA-N 482.352 4.191 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccccc1 1860747238 AOFUQLWLNNHLHC-UHFFFAOYSA-N 450.516 4.264 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012683 GNYZIZBJLOKRGZ-QFIPXVFZSA-N 494.567 4.045 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016251 KKYVIYMELHNPHH-OAQYLSRUSA-N 474.561 4.125 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867928673 JNGJRUUCXCCDBX-QFIPXVFZSA-N 489.035 4.397 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)CC4CCCCC4)n(C(C)(C)C)n3)CC2)cc1 1869970967 VOPWSHABTLZFSC-UHFFFAOYSA-N 454.619 4.277 10 10 JICE CCOCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870870069 ROSVGSOBKXSDAA-UHFFFAOYSA-N 465.550 4.182 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873167686 SHJQWLPPIYQLIF-UHFFFAOYSA-N 497.643 4.235 10 10 JICE CC[C@@H](C)N1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425290 XLPRJBFKTZIMMO-QGZVFWFLSA-N 491.613 4.488 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCC[C@@H](C)C5)ncnc4n3CC(C)C)CC2)cc1 1873550469 GXQKSIUBDPKUOY-OAQYLSRUSA-N 490.652 4.295 10 10 JICE COc1ccc(CC(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874750582 RJOWJWPLYKVDJS-UHFFFAOYSA-N 487.600 4.280 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccncc1 2294229351 MNEZOIUTPUNDIC-UHFFFAOYSA-N 481.375 4.083 10 10 JICE COc1ccc(OCCOc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2)cc1 2297345074 OIOXDJKYIXMXCI-UHFFFAOYSA-N 468.560 4.093 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 2313683267 WAKOEGOBTFSIDK-UHFFFAOYSA-N 463.412 4.246 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330539597 XCVBRWDCZBJFPH-QHCPKHFHSA-N 488.415 4.355 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2701116 ZFLLTGOYIXJURR-WGLILOHCSA-N 465.600 4.350 10 10 JICE COc1cc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1NS(C)(=O)=O 33070041 QWRXGXVFQAGVKY-UHFFFAOYSA-N 492.395 4.489 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 96459416 XAGRADYHPUGKRB-CLGIPHTBSA-N 483.531 4.122 10 10 JICE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 103883846 UAXMPAGMKZQCJC-HMAPJEAMSA-N 490.589 4.230 10 10 JICE Cc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)s1 211940637 AMABYAJWTIZYPV-GZTJUZNOSA-N 468.585 4.270 10 10 JICE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 213211434 PWTBSJQLDVALAO-AQTBWJFISA-N 495.582 4.170 10 10 JICE Cc1nnc(SCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1Cc1ccccc1 800538099 QLZBXDAMVNOHGW-UHFFFAOYSA-N 459.619 4.493 10 10 JICE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)c(C)s1 1859572410 GJLYNVQUPYPLED-UHFFFAOYSA-N 471.604 4.490 10 10 JICE CCCC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914186 BPMZKIVGRGWZQF-UIOOFZCWSA-N 494.680 4.393 10 10 JICE CC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868996877 ARUZEPVXUTYYPR-WZONZLPQSA-N 458.002 4.086 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419582 LJFRZXQSRZFCFZ-QFIPXVFZSA-N 481.556 4.341 10 10 JICE CCCCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552847 WSGTXXDSJCULTB-NRFANRHFSA-N 490.652 4.439 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(CO)c1I 2080052322 LQIZXPFJTSHMNC-GFCCVEGCSA-N 454.230 4.321 10 10 JICE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 2293039544 LFLXHUWSWPVDAJ-UHFFFAOYSA-N 469.544 4.477 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 2293142387 OOPNMIIMROVSSZ-UHFFFAOYSA-N 480.546 4.191 10 10 JICE COc1cccc(OCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Cl)c1 2297347525 DNAJGLQFJNNEFC-UHFFFAOYSA-N 453.882 4.257 10 10 JICE CSCC[C@H](C(=O)O)N1C(=O)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2297554565 HPKWTVYETMGINS-CYBMUJFWSA-N 458.970 4.125 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314831403 KHRWMAQQWVMVGB-UHFFFAOYSA-N 470.572 4.491 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(Nc2ccc([N+](=O)[O-])cc2)C1=O)C(=O)O 2314932731 PDWMCEHVRCWUGS-HNNXBMFYSA-N 459.505 4.065 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OC 13343137 KMOQHYVKXLTWFR-UVTDQMKNSA-N 474.398 4.313 10 10 JICE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)C(=O)O 15045017 NSHWSWRFSMGXOL-UXEDPAHQSA-N 475.419 4.344 10 10 JICE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 32964329 REECEVHJPYDOET-CXJFQJJYSA-N 471.542 4.492 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 33517588 RDTYPFLESUSFEN-QLENYVDCSA-N 450.589 4.397 10 10 JICE CCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34890650 WZLZPIDZFGQGHK-YFQSIASUSA-N 494.642 4.150 10 10 JICE Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 46145276 ZWXQXFFGIOAFLT-UHFFFAOYSA-N 472.010 4.331 10 10 JICE COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NC3(CCN(C(C)=O)CC3)N2)c1O 65298219 WQYYOTPAIBYHBP-FQEVSTJZSA-N 472.383 4.026 10 10 JICE biogenic CCOCCCN1C(=O)/C(=C\c2cc3cc(C)ccc3nc2N2CCOCC2)SC1=S 208280235 HBZWMDCXRIPZRZ-HMMYKYKNSA-N 457.621 4.008 10 10 JICE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526285761 CHHRRNRGCZRUQI-QHCPKHFHSA-N 489.480 4.037 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526468359 GVLTXELJVUASOL-HSZRJFAPSA-N 461.470 4.340 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)c1 526614579 SOKLFSWNIFHGDG-XMMPIXPASA-N 461.470 4.375 10 10 JICE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1859466416 YCQGKDGLOIJMCS-SFHVURJKSA-N 452.510 4.324 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010876 PYZXTMLVTOHKHN-FQEVSTJZSA-N 482.968 4.109 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865035246 PCUPMTMGDGFXRD-HSZRJFAPSA-N 488.588 4.187 10 10 JICE COC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)sc(C)c1-c1ccccc1 1866268999 TWXJYATWOZOINA-UHFFFAOYSA-N 479.489 4.153 10 10 JICE CCC[C@@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868853660 SZXWMYLHBBLRCH-JWQCQUIFSA-N 469.601 4.208 10 10 JICE CCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870480793 BVHIWSZZFPKLNF-UHFFFAOYSA-N 499.652 4.090 10 10 JICE CCCCC[C@@H](CC)N1C(=O)C(NCCNC(C)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166896 KDRZTISWDDZKQL-HSZRJFAPSA-N 478.637 4.259 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)c(O)c1 2080054175 ZEGJPBYFKJAIML-QGZVFWFLSA-N 467.351 4.102 10 10 JICE CCCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296545909 AEKFCIVIJQKSEQ-IBGZPJMESA-N 494.642 4.231 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1 2296881596 QHUQGTOARAQSRO-UHFFFAOYSA-N 470.572 4.102 10 10 JICE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313682009 SOQDWSRILMRPBW-UHFFFAOYSA-N 467.522 4.388 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2533381 RHMZWNLFLBFMTA-XUTLUUPISA-N 465.600 4.270 10 10 JICE CCCCOc1ccc(/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc1OC 16928316 LGQVSHUIVMYSLG-OCKHKDLRSA-N 470.503 4.353 10 10 JICE CCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 27515565 BAPFACDJZAIVOD-LTGZKZEYSA-N 452.536 4.176 10 10 JICE O=C1N=C(O)/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 34138058 BEAGOWNNNFNFSP-WZUFQYTHSA-N 466.631 4.223 10 10 JICE O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 102552593 CUUDIJMXJXFKCT-PDGQHHTCSA-N 462.453 4.406 10 10 JICE COc1ccccc1[C@H](NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C)c1nccn1C 106010127 PYHNDCYGOGXIMP-VWLOTQADSA-N 472.545 4.127 10 10 JICE Cc1ccc(C(=O)NN2C(=O)/C(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)cc1 206924068 OYHIPSYVVOCTNU-QURGRASLSA-N 485.590 4.458 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 210711548 XKSNPUSBVRZBTC-CPNJWEJPSA-N 472.588 4.338 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 210714884 ZGSOFXCGFOFTRS-CPNJWEJPSA-N 460.552 4.463 10 10 JICE CCOCCCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586694051 YERGCXAWKPAFTJ-UHFFFAOYSA-N 471.513 4.262 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861924932 FSJPQMZOQKFZKD-OAQYLSRUSA-N 496.460 4.202 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864009451 HRKBHKCYEVTYGM-GCJKJVERSA-N 470.614 4.428 10 10 JICE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871551693 XYZSMUMVBIWAIQ-UHFFFAOYSA-N 489.668 4.403 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873162087 FWNAORZHVFMJPU-UHFFFAOYSA-N 471.601 4.431 10 10 JICE CCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167606 PGNBDNWBZSIOKL-UHFFFAOYSA-N 450.627 4.296 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(C4CC4)[C@H]3c3ccccc3)cccc21 1874179170 RSSYXOXGUOVHQO-BWKNWUBXSA-N 450.494 4.153 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1892118522 JZGSGUSMBOUNSF-NGYIFUPDSA-N 488.053 4.188 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 2294199368 XODXATQRPVJXDQ-UHFFFAOYSA-N 477.517 4.071 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296546309 ULXBGQGVAUPDHV-IBGZPJMESA-N 494.642 4.006 10 10 JICE CCCCCCOc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 2296712327 YQQDBQMOJDXVLT-MRXNPFEDSA-N 469.650 4.043 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc(Cl)cc(Cl)c2O)N3)CC1 14467347 XXZXFYUVCGZXTD-DRSNIGMVSA-N 494.444 4.462 10 10 JICE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15046672 YBDHWVNMLUCFMX-QOZZSIDGSA-N 468.478 4.345 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989573 SSOIBVWOIZZWMC-OYVQJDAOSA-N 492.670 4.449 10 10 JICE CCN(C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12)c1cccc(C)c1 1858244677 MOBGRDFQEDFNSL-UHFFFAOYSA-N 497.599 4.280 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)CCc4ccc(C(C)(C)C)cc4)C3)CC2)cc1 1858388091 FZHCYHBUFFFTDH-QHCPKHFHSA-N 477.649 4.123 10 10 JICE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1Cl 1858688290 XJQQKPSLLNIJAD-ZDUSSCGKSA-N 456.886 4.343 10 10 JICE O=C(NCCNCc1ccc(N2CCOCC2)cc1)OCC1c2ccccc2-c2ccccc21 2000808221 IICOQTWOZAEBRT-UHFFFAOYSA-N 457.574 4.152 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)CC(F)(F)C3)ccc(N)c2C1 2163163029 PCBZVHBMCZZJBD-UHFFFAOYSA-N 482.572 4.254 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1I 2293990294 NYNUGAHAGUEHRG-UHFFFAOYSA-N 454.358 4.496 10 10 JICE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296144937 MQCPFBJRPUKBEF-UHFFFAOYSA-N 451.526 4.301 10 10 JICE CCCN1C(=O)C(=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 2296725447 QNLLNRAYAZOBMQ-UHFFFAOYSA-N 490.610 4.017 10 10 JICE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1 2297352804 YFTKWNADJBUEIM-UHFFFAOYSA-N 462.579 4.165 10 10 JICE C[C@@H]1CN(C(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 2314490587 ZDPGDOROYLNGEP-IAGOWNOFSA-N 474.648 4.235 10 10 JICE CN(C)c1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 21854091 IMJPRINWWJHHDG-SSEXGKCCSA-N 493.611 4.347 10 10 JICE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990284 WHNAKLFTROEGPA-WSQZKKCYSA-N 488.679 4.052 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 45991861 TXQNKFVFUDFZOZ-NRFANRHFSA-N 485.588 4.162 10 10 JICE O=C1N=C(O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1cccc2ccccc12 59860269 QUTWNXJHMGOXPF-HKWRFOASSA-N 472.457 4.091 10 10 JICE Cc1ccc(CNc2c(/C=C3/SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1 208272622 CRPVPZCEKRXYGP-VXLYETTFSA-N 452.605 4.096 10 10 JICE O=C(/C=C\c1c(Cl)nc2sccn12)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 215559777 ABDUMCVDWLFUMA-ARJAWSKDSA-N 470.904 4.234 10 10 JICE COc1ccc(N2CCC(NC(=O)NCC3(c4cc(C)ccc4OC)CCOCC3)CC2)cc1 726612447 FQNVQKDUFQPFPM-UHFFFAOYSA-N 467.610 4.029 10 10 JICE Fc1cc(CNc2nc(-c3cccc(Cl)c3)no2)ccc1N1CCN(c2ncccn2)CC1 730805679 VLEXLRSNESCMHN-UHFFFAOYSA-N 465.920 4.258 10 10 JICE CC(=O)N(c1ccc(F)cc1)c1nc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 1474291972 QLBMWCFUNDKSJZ-QHCPKHFHSA-N 455.603 4.425 10 10 JICE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)CC1=O 1865922975 HKSDLQLEMPRGJP-KRWDZBQOSA-N 492.553 4.288 10 10 JICE Cc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866732006 DDWXAZYVVCRNRD-NOZRDPDXSA-N 498.579 4.016 10 10 JICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(C2CC2)on1 1867151314 IQNYSCBDLIRHQE-VWLOTQADSA-N 491.503 4.437 10 10 JICE CCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870965086 WXDROMBIIFAGLK-UHFFFAOYSA-N 478.593 4.146 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873545996 XWNFEPZSHYMWDV-UHFFFAOYSA-N 484.604 4.059 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2080005737 IEWONWYHLPRIBX-MRXNPFEDSA-N 456.280 4.023 10 10 JICE COc1cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347363 ZMLLKEMGBSLEKQ-UHFFFAOYSA-N 492.557 4.278 10 10 JICE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N([C@@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2297348025 SKDGLMOSAZWVKE-AWEZNQCLSA-N 461.430 4.086 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)cc1OC 2314932950 QMGVQIJOTFMWPE-UHFFFAOYSA-N 473.572 4.001 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCc3ccccc32)cc1 9529633 ZGNSQTNFUPJDQH-RUZDIDTESA-N 453.542 4.393 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 38588610 OQPLUQJXMXRWND-UHFFFAOYSA-N 475.433 4.285 10 10 JICE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1cccc(C(=O)O)c1 1084028656 YERKKLCYLPWKMY-QGZVFWFLSA-N 450.436 4.292 10 10 JICE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nccc(C(F)(F)F)n1 1705546220 FJPRSUVNPUPGRJ-UHFFFAOYSA-N 479.510 4.474 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)CC3CCCCC3)CC2)cc1 1862106514 FIBODZJKGHSMRA-AREMUKBSSA-N 481.612 4.181 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865028543 WMSURGXOAKSVHN-JOCHJYFZSA-N 494.979 4.343 10 10 JICE COC(=O)c1c(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)sc(C)c1-c1ccc(C)cc1 1866209132 ULKYLKCFUCLEHS-UHFFFAOYSA-N 457.573 4.403 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(Cc4ccccc4)n3)CC2)cc1 1867946697 NTBAARONQCFFLU-RUZDIDTESA-N 487.648 4.144 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 2296945849 LMAJVANIMFMBAZ-UHFFFAOYSA-N 483.593 4.479 10 10 JICE CCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)NC1=S 2297366347 LYQSPRYANRQKKD-UHFFFAOYSA-N 468.376 4.099 10 10 JICE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640915 QPEYKYRHPLSQGK-AXHZCLLHSA-N 470.591 4.323 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3OC)CC2)cc1 16891180 FVLPPZFQZGZKMS-UQBPGWFLSA-N 465.619 4.447 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 33436511 FMEMXPHHDZHZCL-MHWRWJLKSA-N 463.606 4.089 10 10 JICE COc1ccc(/C=C2\SC(=S)N(CC(=O)Oc3cc(Br)ccc3C=O)C2=O)cc1 33723486 PNNTYZPZIAYHAM-IUXPMGMMSA-N 492.372 4.077 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cc(Br)ccc3F)CC2)c1O 1654303529 VPEKMDZDSUVQLM-UHFFFAOYSA-N 455.755 4.468 10 10 JICE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC[C@@H]1CCOC1 1705479737 OHCPEPMQMANIEM-REWPJTCUSA-N 461.610 4.254 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019908 RGCJAGBEGISCDY-NRFANRHFSA-N 496.995 4.356 10 10 JICE CC[C@](C)(NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866572209 RJBNCGVKUQBTHQ-SANMLTNESA-N 475.570 4.001 10 10 JICE CCC[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867309383 CWPONMFVZWRNDN-CLJLJLNGSA-N 480.653 4.003 10 10 JICE CC[C@](C)(NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868929429 FKQUBSNJGQGUBM-NDEPHWFRSA-N 492.664 4.113 10 10 JICE CCCC[C@@H](NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868952310 XTCQTBQPUIYIEC-AREMUKBSSA-N 465.638 4.350 10 10 JICE CCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870686823 OHKFRROIAMPAEH-UHFFFAOYSA-N 461.606 4.211 10 10 JICE CCN(CC)CCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870872156 RRFQVTWABMILQO-UHFFFAOYSA-N 478.593 4.098 10 10 JICE COc1ccc(CNC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287315 OFCVJESBGFUUMH-CIAFOILYSA-N 470.616 4.248 10 10 JICE CCc1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584224 VRGHYUYXSLHXLG-UHFFFAOYSA-N 475.641 4.393 10 10 JICE CCCCC[C@H](CC)NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873891542 FVQGWNGKLBUVPK-SFHVURJKSA-N 479.529 4.401 10 10 JICE O=C1C(=O)[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1N[C@@H]1CCCC[C@H]1N1CCCCC1 2049395919 RPXCZYQDQBXAET-MKXGPGLRSA-N 491.476 4.412 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2294095633 XKRQIIFYWDERTH-UHFFFAOYSA-N 481.867 4.251 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 2297347756 ZILOSONKEBMXFB-UHFFFAOYSA-N 483.908 4.265 10 10 JICE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837541 UFCINNXCQILSGR-LLVKDONJSA-N 463.378 4.383 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934360 HDPUGNZPILYCFM-ZDUSSCGKSA-N 459.545 4.352 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 2314935679 QMRBUUAQMJPHNA-UHFFFAOYSA-N 478.498 4.216 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCCC(=O)O 16919650 GZRXTUGQVVHUNF-VXLYETTFSA-N 473.528 4.073 10 10 JICE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 35127584 VPMVKNZKAQPGJE-DAMBIUFKSA-N 494.667 4.210 10 10 JICE Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)c1 62694347 KDUIMGCVDGDNGI-UHFFFAOYSA-N 479.646 4.209 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526278755 GZHAXHWABRHHLT-XMMPIXPASA-N 491.496 4.349 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)C1 1508190898 RJQQAHPSXKMYJJ-HSZRJFAPSA-N 492.668 4.472 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1595943322 CAUCCDPTRVWXHE-UHFFFAOYSA-N 466.674 4.208 10 10 JICE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)OC)CC1 1705508989 AHBCTBJYKPWDTO-UHFFFAOYSA-N 460.582 4.045 10 10 JICE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ncccc1N(C)C 1705605446 LDGFPIVXMRWANM-UHFFFAOYSA-N 453.594 4.321 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864010632 VGFZRGDGOXSYHE-XKPXNARGSA-N 492.620 4.038 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017948 ZABGAPOONGOYFV-NRFANRHFSA-N 496.995 4.356 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027048 DRAVTWCFIVYNJR-JOCHJYFZSA-N 494.979 4.343 10 10 JICE COc1ccc(OCC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(C(C)(C)C)c1 1865924678 FCWNYSZCNOFMOY-DEOSSOPVSA-N 450.583 4.077 10 10 JICE CCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870764064 YOORJTMDKLDGNL-UHFFFAOYSA-N 499.652 4.091 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873164589 INVPXQIVSITMFF-UHFFFAOYSA-N 487.600 4.268 10 10 JICE CN(C)Cc1cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952905649 GPQPBLDNAQMLFU-NAKRPHOHSA-N 472.541 4.087 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)OCC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 2040466452 CIIKRGRNZARRHF-UHFFFAOYSA-N 490.990 4.040 10 10 JICE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1cc(F)ccc1O 2084902580 DWSOWHCBCCICOZ-OAHLLOKOSA-N 455.571 4.380 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccc(Br)cc2O)[C@@H](C(F)(F)F)C1 2163258138 WJDDMDFLVKPDSE-JSGCOSHPSA-N 453.299 4.290 10 10 JICE O=C1C(=Cc2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296728750 MOXDGCZPRIZGHF-ZDUSSCGKSA-N 484.418 4.097 10 10 JICE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314413762 GZLAEEWIKBXNMY-UHFFFAOYSA-N 454.552 4.057 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O 2314934006 XPSLKXVVYUHZLH-UHFFFAOYSA-N 480.361 4.327 10 10 JICE O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 10339178 RTNQMKNNIHANBW-HKBOAZHASA-N 475.859 4.174 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4C5)c4ccccc4n3)CC2)cc1 23431020 OVMUQDPHWLLDNR-OUDXUNEISA-N 456.590 4.488 10 10 JICE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812063 WMLIVDJUNAWPLW-CPEHUTGBSA-N 492.670 4.246 10 10 JICE Cc1cc(-c2csc(NC(=O)COc3ccc(CC(N)=O)cc3)n2)c(C)n1-c1ccc(F)cc1 109476542 XNKSSCPNJSLVRP-UHFFFAOYSA-N 478.549 4.402 10 10 JICE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 210672827 HOUWFHJAMKFDKG-LZYBPNLTSA-N 468.478 4.260 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C1=O 210754894 QVNHIVMZLCSNHL-SQXWLJKJSA-N 460.621 4.376 10 10 JICE CCCCCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261365347 RNJBWFBVZMEVNT-XMMPIXPASA-O 464.615 4.398 10 10 JICE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccc(OC)cc34)C2=O)c1 1084192746 DVDQJLOBVUDNRF-QNGOZBTKSA-N 490.512 4.321 10 10 JICE CCCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)s1 1860347415 OSUWRISPTPIKBF-XMMPIXPASA-N 486.601 4.231 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865028432 URLIQPWGBNTJOA-HSZRJFAPSA-N 476.577 4.244 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029944 YVNACVHUGKFWEA-NRFANRHFSA-N 496.995 4.452 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cc(Br)ccc2O)cc1 1865672151 NLSWQAXMSRWDNH-QGOAFFKASA-N 450.292 4.393 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c2nccn2C)cc1 1865875036 NBSDHPOWRDLXLV-ZQBMCQTHSA-N 479.584 4.163 10 10 JICE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873168327 RJLCTPWBAUNYPM-FQEVSTJZSA-N 462.638 4.438 10 10 JICE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873419921 FRXZJQMMODAPMR-UHFFFAOYSA-N 459.546 4.331 10 10 JICE O=C(NC1CC1)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1Br 2079234905 JEHDNPOKLFNGRM-UHFFFAOYSA-N 472.183 4.329 10 10 JICE COc1ccc([C@@H](n2nc(C3CCC3)c(N)c2I)C2(C)CC2)c(O)c1 2080036135 IJYPKGIBKQOHBI-QGZVFWFLSA-N 453.324 4.441 10 10 JICE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(CN)c1I 2080047992 MCIARKBZTVESLO-GFCCVEGCSA-N 453.246 4.287 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)ccc(N)c2C1 2196637776 DKEDYOCUDZBORZ-KRWDZBQOSA-N 472.630 4.255 10 10 JICE COc1cc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 2296666517 WVJQPVCFDAFVQB-UHFFFAOYSA-N 479.330 4.498 10 10 JICE CCc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 2296753926 AZUCUPGXGUBONN-UHFFFAOYSA-N 454.617 4.256 10 10 JICE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1 2296885176 HGNAZZKMRNSRGN-UHFFFAOYSA-N 456.545 4.044 10 10 JICE CC(C)C1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2297307143 FDWJWQGVXHOJQM-UHFFFAOYSA-N 479.518 4.328 10 10 JICE COc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1OCC(=O)O 2297499081 HVQUPOCLUOAHJB-UHFFFAOYSA-N 480.361 4.327 10 10 JICE CCOc1cc(OCC)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 2313558419 ACGHNCNDVSVRTH-UHFFFAOYSA-N 493.354 4.217 10 10 JICE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 2326973131 JPUPKJHXTNDZPB-UHFFFAOYSA-N 484.599 4.033 10 10 JICE CCc1ccc(C(C)=CC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489244 NYHOBWNHRGZPRY-SANMLTNESA-N 495.689 4.248 10 10 JICE COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 8608560 QEZFYXHNZGPMBC-DEOSSOPVSA-N 465.619 4.152 10 10 JICE aggregator COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641163 CMTKLYDJAMKXDR-LYXWCMDISA-N 464.562 4.448 10 10 JICE COc1ccccc1OCCN/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 20288195 HTMQSCYKMOBHDT-HKOYGPOVSA-N 472.501 4.297 10 10 JICE COc1ccc(OC)c(N2C(=O)/C(=C3\C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1 33702887 RODREAWGXKEOIN-QURGRASLSA-N 495.626 4.270 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1O 40939839 DXJHDEAFEZMIKE-GDNBJRDFSA-N 479.377 4.100 10 10 JICE COCc1nc(NCc2ccc(N3CCNC(=O)C3)cc2)c2c(-c3ccccc3)csc2n1 109682966 KPTCINBOCTZVKM-UHFFFAOYSA-N 459.575 4.053 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 1083969306 KWODFTQFKZJFOY-KAMYIIQDSA-N 450.347 4.408 10 10 JICE CCC[C@H](NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861896414 OOTGJQLNZJXURH-QFIPXVFZSA-N 490.069 4.247 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865033245 VJHQIKBIPPTBSY-QHCPKHFHSA-N 488.588 4.332 10 10 JICE CCCN(CCC)C(=O)COc1ccc(/C=C2\C(=O)N(CCC)N=C2C(F)(F)F)cc1OC 1865675559 NUOYMLSNRGXYMN-LGMDPLHJSA-N 469.504 4.277 10 10 JICE CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867051483 BODHXFWZRFBAJW-FKBYEOEOSA-N 452.510 4.099 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873169049 WQHSEMBOSNXVOY-UHFFFAOYSA-N 499.640 4.355 10 10 JICE CCOC(=O)COc1ccc(C=C2C=C(c3ccc(Br)cc3)OC2=O)cc1OC 2294235424 NXFUFYCGWMLFSI-UHFFFAOYSA-N 459.292 4.381 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Br)cc1 2297347646 QMVNMUWAAVLRRX-UHFFFAOYSA-N 468.307 4.487 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 2297352672 KYAUDNVOIYZFCG-UHFFFAOYSA-N 484.585 4.156 10 10 JICE CCOc1ccc(Br)cc1C=C1SC(=S)N(CC(=O)OCC(C)C)C1=O 2314741207 VYJBXUASGLZPLP-UHFFFAOYSA-N 458.399 4.248 10 10 JICE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)C(C)=O 2314926804 SFFOVBNKXUOOER-SFHVURJKSA-N 455.557 4.466 10 10 JICE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15038475 XAKDIESXUVRKPU-KAMYIIQDSA-N 475.419 4.346 10 10 JICE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 20287111 DRYVLOLBEBARBM-KGENOOAVSA-N 480.477 4.057 10 10 JICE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c3ccco3)CC2)cc1 38598229 KNWRAHZXBTZWMV-QFIPXVFZSA-N 484.940 4.143 10 10 JICE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39990448 RTSBCDFNJARAKB-QJHUTNDBSA-N 458.653 4.142 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)NCc1cccs1 59182353 XTKMPGOACKAPTA-JAIQZWGSSA-N 488.525 4.115 10 10 JICE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 209421949 MEWCDLJKKMSRJV-PKNBQFBNSA-N 456.665 4.332 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210699773 SRWMQMMILVJRDL-CPNJWEJPSA-N 458.561 4.030 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1083885825 KNKFKKFVIXTHDC-WQRHYEAKSA-N 477.517 4.071 10 10 JICE COCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565538609 AICFCMCEHWUVJT-NLFFAJNJSA-N 468.638 4.399 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3C)cs1 1859573611 OGTXKRHJRNDQFG-UHFFFAOYSA-N 463.968 4.182 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccc(F)cc1 1860747051 RDHUXWWWTDMASI-UHFFFAOYSA-N 468.506 4.403 10 10 JICE CC[C@H](C)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865894195 RSDQEHRSZSSRJO-DFBJGRDBSA-N 476.621 4.104 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]1c1cc(Br)cc(Br)c1O 1952826179 VJDLHIFOFOVXGK-SKDRFNHKSA-N 465.138 4.300 10 10 JICE C[C@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2180737502 OQAVYEWIRMNAIG-HXUWFJFHSA-N 467.610 4.471 10 10 JICE Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c(C)c1 2293648380 DDRZBPSIXBKLAJ-UHFFFAOYSA-N 474.513 4.406 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1O 2297327465 ARNZNERPQYSFSL-UHFFFAOYSA-N 496.155 4.004 10 10 JICE N=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297467694 QRBKDHDCYWIZQE-UHFFFAOYSA-N 496.596 4.321 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141502 YZXHNZBXAHPITQ-UHFFFAOYSA-N 457.442 4.209 10 10 JICE Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn3c(O)c(Cc4ccccc4F)c(C)nc23)CC1 9597708 LKOJFUWDJWBEQX-UHFFFAOYSA-N 493.970 4.397 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 16922636 CSORXQCEMSHNGH-WJDWOHSUSA-N 478.498 4.216 10 10 JICE CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=N)N2O1 20236742 YJXFHJKURMIWBB-CPWDNUMFSA-N 452.264 4.119 10 10 JICE CCN(CC)CCCOc1cc(OC)c(NC(C)=O)c2c1C(=O)c1cc(C)c(C)c(C)c1C2=O 31439154 HVUSGUGUDGTXDE-UHFFFAOYSA-N 466.578 4.465 10 10 JICE CCCCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 34829128 FPMIRZQHMSJAAK-OBGWFSINSA-N 488.704 4.338 10 10 JICE COc1ccc(N2C(=O)N=C(O)/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 38159983 RFMVSHFCMYFNLC-CHHVJCJISA-N 470.279 4.454 10 10 JICE CC(=O)N1CCC[C@H](Cn2c(N(C)Cc3ccc(N4CCCC4)cc3)nnc2C(C)(C)C)C1 1741029711 AOIDBULCTBQCBS-QFIPXVFZSA-N 452.647 4.071 10 10 JICE CC[C@@](C)(NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862227331 FBYHRAKSOXFBCC-AREMUKBSSA-N 488.028 4.141 10 10 JICE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015953 XPZKNODKISMFJD-QFIPXVFZSA-N 490.604 4.474 10 10 JICE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3c(Cl)ccc(Cl)c3[nH]2)c2nccn2C)cc1 1866535053 PHPDGWYUZLMVPC-FQEVSTJZSA-N 470.360 4.154 10 10 JICE Cc1cccc(-n2nc(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C)c1 1866839018 LTOIJPDPFHCGOH-SFHVURJKSA-N 492.535 4.022 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869281251 BPKKKAOMDOABMJ-PMACEKPBSA-N 477.584 4.232 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4F)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970878 ZNSGPYMBZHMNDI-UHFFFAOYSA-N 486.551 4.302 10 10 JICE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873169172 CMDLOEMWBIGYPX-UHFFFAOYSA-N 490.673 4.410 10 10 JICE Cc1ccc(CCNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873893782 JGPIWQSASMZREX-LJAQVGFWSA-N 478.596 4.456 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2293700508 ALKMQNMEQHWLTC-UHFFFAOYSA-N 465.491 4.082 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2296713494 FPMRJNOJZSIUHH-UHFFFAOYSA-N 483.409 4.032 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 2297364346 ZKZZPASAOCFBKA-UHFFFAOYSA-N 484.508 4.275 10 10 JICE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 16907920 SCHKTSSTZBFFIB-XMHGGMMESA-N 484.599 4.384 10 10 JICE CCOc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 71933408 XUOAWAVOAMVBRV-WEVVVXLNSA-N 464.484 4.279 10 10 JICE CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 97361877 MNFIDWVZLPLJSN-FPLPWBNLSA-N 472.633 4.052 10 10 JICE O=C1C[C@H](N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 103657707 IBIPBNNCCNTNRT-MDNIKOHYSA-N 480.464 4.378 10 10 JICE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 729182607 UZDGRRMZJPJCQT-SFHVURJKSA-N 495.576 4.055 10 10 JICE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864009783 DKQDWANQPISZPS-SZNDQCEHSA-N 496.995 4.499 10 10 JICE CC(C)(NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867233539 SOPVWNCTXRADBL-INIZCTEOSA-N 480.520 4.056 10 10 JICE CC[C@@](C)(NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868929428 FKQUBSNJGQGUBM-MUUNZHRXSA-N 492.664 4.113 10 10 JICE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873168328 RJLCTPWBAUNYPM-HXUWFJFHSA-N 462.638 4.438 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)ccc(N)c2C1 2163172010 LZMSSNKKUMQRSC-UTKZUKDTSA-N 472.630 4.398 10 10 JICE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2294093780 PBCDZTDSEAVULY-UHFFFAOYSA-N 482.246 4.284 10 10 JICE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2296885478 WMIUXEMQFFYLTI-UHFFFAOYSA-N 457.527 4.006 10 10 JICE N=C1C(=Cc2coc3ccccc3c2=O)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 2297350840 OCVUXFVLKZCBBH-UHFFFAOYSA-N 476.539 4.182 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 2297352707 NUFRMYGZKBLMKT-UHFFFAOYSA-N 484.585 4.156 10 10 JICE Cc1cccc2cc(C=C3SC(=S)N(CCC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650674 VTTNLRBTYZMXMJ-UHFFFAOYSA-N 482.675 4.492 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8646928 HESDYTDEHSTFOZ-XMMPIXPASA-N 498.898 4.445 10 10 JICE COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 9778739 ODYVVASDQBSYRN-DHIUTWEWSA-N 475.932 4.167 10 10 JICE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15044449 BOYSAIGDVXWUPQ-UNOMPAQXSA-N 486.571 4.196 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)ccc1OCCC(=O)O 16919534 BUTVAPMPEQIQJB-XDHOZWIPSA-N 459.545 4.353 10 10 JICE CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cc21 71555542 PLQQBJKXLFRERI-HNNXBMFYSA-N 457.577 4.362 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526450094 IAZQAKUEPFMVNI-XMMPIXPASA-N 463.486 4.489 10 10 JICE CC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)=NN1c1ccccc1 1524702886 GRIYFYASBBZBOP-MZNJEOGPSA-N 452.986 4.416 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccc(C)c(C)c1 1860761207 PZQYOGCKMLYWEY-UHFFFAOYSA-N 466.559 4.390 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(OC)cc5OC)[nH]c4c3)CC2)cc1 1861869284 YPULHRWMKYLTFE-UHFFFAOYSA-N 472.545 4.218 10 10 JICE CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(OC)cc2)C3=O)c(C(=O)O)c1 1865877953 BXGLQVTYQFKWHN-UHFFFAOYSA-N 458.470 4.004 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCCN3CCCC3)CC2)cc1 1870436795 GZFXHJMZOHJBQG-UHFFFAOYSA-N 496.696 4.090 10 10 JICE CCCOc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658594 NMRHRCAYYWMAOW-UHFFFAOYSA-N 461.606 4.325 10 10 JICE Cc1noc(C)c1COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871013033 LQYIYLIXJKPDEX-UHFFFAOYSA-N 460.534 4.380 10 10 JICE O=C(N[C@H](CC1(c2cc(O)c(O)c(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952089984 LVLYXCVCNDUEAX-OAQYLSRUSA-N 475.497 4.217 10 10 JICE COc1ccc(OCCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 2297347623 OIARRZCWRNVZMS-UHFFFAOYSA-N 463.490 4.002 10 10 JICE CCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106621 NHEBZOUDTBMGNI-UHFFFAOYSA-N 483.996 4.251 10 10 JICE COC(=O)[C@@H](C)N1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1810207 GRECDUDMDXANTA-PFFGMESJSA-N 472.975 4.020 10 10 JICE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1C 32980985 AKCGOODPMWBDDH-JRNAOYQWSA-N 490.633 4.493 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c(OS(=O)(=O)CC)c1 36009404 GRMWAMBBGTWKOY-FQEVSTJZSA-N 480.652 4.144 10 10 JICE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 39836006 ONTKJMRFKCUQJL-SFQUDFHCSA-N 499.545 4.000 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864014433 VBSNTRMHHVMJCF-HXUWFJFHSA-N 456.587 4.048 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864014608 ZFFDQHZGQIDMJY-GAJHUEQPSA-N 490.604 4.475 10 10 JICE CCC[C@@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866595016 DAQOXECTWPCAHR-HSZRJFAPSA-N 472.516 4.457 10 10 JICE CC[C@@](C)(NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826762 HFOAGYPEPBGZHF-LEAFIULHSA-N 464.654 4.303 10 10 JICE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cc(O)nc(O)c1 1952534241 DLOPZRIWIFCYOY-OAQYLSRUSA-N 462.502 4.152 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2296881444 HUAOBUXWNGYADN-UHFFFAOYSA-N 476.649 4.365 10 10 JICE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560003 FPTSIRJUNKYXFI-UHFFFAOYSA-N 457.486 4.109 10 10 JICE C[C@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314836272 CFDSSAQFKPUBJM-UONOGXRCSA-N 464.568 4.172 10 10 JICE CCOc1cccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)c1O 2323880112 SNCFVQSQCBRPGL-GOSISDBHSA-N 458.605 4.304 10 10 JICE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(C)cc3)N3Cc4ccccc4C3=O)CC2)cc1 15721609 QGGVDWPTJSGWNH-MHZLTWQESA-N 469.585 4.440 10 10 JICE COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659026 KPAKKFGAQGZJDR-QHCPKHFHSA-N 494.551 4.232 10 10 JICE Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)c1 96460783 DQKTWZOASDIXJA-VQQXQELJSA-N 483.619 4.050 10 10 JICE COCCN1C(=O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)NC1=S 254770418 CSVCSGDVMGWGGP-HAHDFKILSA-N 469.566 4.116 10 10 JICE Cc1cc(CCNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c(C)n1-c1ccccc1 727610408 HRYTYKXBSNHMAE-UHFFFAOYSA-N 477.565 4.134 10 10 JICE CCCCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827300 WQQOMYPZOSKFHX-CPNJWEJPSA-N 474.604 4.441 10 10 JICE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1865029552 PWRIXFHDMOZXBX-DEOSSOPVSA-N 484.556 4.308 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868678835 MRGFSJZRMQURSG-SFHVURJKSA-N 458.002 4.086 10 10 JICE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868885781 NHXMSKCSHPSKTP-KAYWLYCHSA-N 493.648 4.221 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C(=C\c4ccccc4)c4ccccc4)n(C)n3)CC2)cc1 1869969350 LVQFWGOAECIEJS-QLYXXIJNSA-N 494.599 4.330 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1OC 1873168756 INIOTFJKCQDGOE-UHFFFAOYSA-N 471.557 4.143 10 10 JICE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2124510866 CAMYGFDLEOKHJH-HXUWFJFHSA-N 456.591 4.237 10 10 JICE COc1cc(Cl)cc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1O 2140605656 BYZUWHUNLROCND-NRFANRHFSA-N 476.017 4.265 10 10 JICE CCOc1cc2c(cc1C=C1C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C1=O)OCO2 2294262200 SZGYQYWFQAWHSE-UHFFFAOYSA-N 458.923 4.031 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2296979369 KUFORZNNCJMZLU-LBPRGKRZSA-N 471.434 4.095 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297324975 MJAUZJVBTRUUKO-UHFFFAOYSA-N 487.468 4.239 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 2297349617 INMSDLNNVYTIPT-UHFFFAOYSA-N 466.584 4.376 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 14472886 WJDXLXIDDCECNC-IEGUWTFLSA-N 488.997 4.011 10 10 JICE COc1ccc(N2CCN(c3cc(C(=O)NCCCOC(C)C)c4ccccc4n3)CC2)cc1 23335829 LXOKNWIJDSFIOE-UHFFFAOYSA-N 462.594 4.115 10 10 JICE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c3ccco3)CC2)cc1 38598224 MVZOPFTWOZIGKF-JOCHJYFZSA-N 484.940 4.143 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 57015867 CDBIFHALWAKBEW-SIBVEZHUSA-N 495.645 4.456 10 10 JICE O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C(=O)N1c1ccc(Br)cc1 102004909 MRJIAYAOKOGDKM-PCCBWWKXSA-N 465.303 4.206 10 10 JICE O=C1CN(c2ccc(CNC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)cc2)CCN1 106263750 NFUFXLJCBARUOC-UHFFFAOYSA-N 470.504 4.014 10 10 JICE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 210715132 HIDCXQMIBZWRHC-LDADJPATSA-N 476.551 4.169 10 10 JICE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226720875 HFRQFDIZLRLUKQ-UMFSSWHCSA-N 467.635 4.380 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526368506 UPRPYFZZSKFCAO-HSZRJFAPSA-N 462.502 4.238 10 10 JICE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@@H](C)O1 586663878 OQJVRAMJAYLOBJ-CALCHBBNSA-N 483.524 4.355 10 10 JICE CC(=O)c1cc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)ccc1OC(C)C 1359949926 ZCVVVZNWGVQSPF-UHFFFAOYSA-N 459.546 4.421 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(Cl)nc4)c4ccccc34)[C@@H]21 1860347521 SRONYWLVIIAJNL-RUZDIDTESA-N 471.948 4.475 10 10 JICE CC(=O)Nc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347547 WBISMZWDSCMOKQ-NDEPHWFRSA-N 493.567 4.385 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864009284 DJLUDXXYMHLLKH-IZHWHUGBSA-N 488.588 4.073 10 10 JICE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccc1 1871196306 OEXWZTWOJHCEIA-UHFFFAOYSA-N 484.556 4.214 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4cccc(Cl)c4C)ncc3[N+](=O)[O-])CC2)cc1 1871311356 ZGHNGFYLLCVXKY-UHFFFAOYSA-N 454.918 4.425 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873165834 TVJSORNEXURZDH-UHFFFAOYSA-N 463.603 4.104 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCCN(C)C)C2=O)cc1 1873168763 ISLZLWSGFBFGBJ-UHFFFAOYSA-N 476.646 4.020 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cncc(C)c4)cc3)CC2)cc1 1874746962 NWHOETLIROXARD-UHFFFAOYSA-N 459.546 4.013 10 10 JICE CCOC(=O)c1ccc(NC=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)OCC)C2=O)cc1 2294778319 ZBVCKIMGKHZZGP-LJQANCHMSA-N 484.599 4.151 10 10 JICE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 2296398084 RYPPKMADDZLSSM-UHFFFAOYSA-N 460.486 4.016 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OC)c1 2297334937 PYAFHHDHYYMGBO-UHFFFAOYSA-N 472.497 4.258 10 10 JICE COc1cc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)ccc1OS(C)(=O)=O 2297469489 XXGCRKNTAJHSOX-UHFFFAOYSA-N 490.607 4.013 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOCCOc1ccccc1 2297616390 QZZBTAOLCAOEIA-UHFFFAOYSA-N 465.980 4.312 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2314414526 BQQBYPOJHZCADZ-INIZCTEOSA-N 472.636 4.067 10 10 JICE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)cc2c1 2314650372 CNONGLIWLCJPCF-UHFFFAOYSA-N 468.648 4.102 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641139 WVTOOCVUEZRZTL-BSRJHKFKSA-N 450.535 4.011 10 10 JICE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1 32961938 QEAGFJNWDOHJAQ-UHFFFAOYSA-N 495.601 4.138 10 10 JICE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 33336463 QYGFGKZOCGKINB-CAOOACKPSA-N 470.319 4.359 10 10 JICE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 102687086 PLHXNYWMSAIYOY-SFQUDFHCSA-N 453.545 4.105 10 10 JICE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)cs2)cc1 170549583 UWQZKABLBJUXBG-UHFFFAOYSA-N 457.577 4.264 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1O 1167789213 KPSZJLSRSHFJMF-CQSZACIVSA-N 456.926 4.063 10 10 JICE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4ccc(C(F)(F)F)cc4)SC3=S)ccc21 1860087511 CEHMOJOWAXVHRI-LZYBPNLTSA-N 450.463 4.466 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccccc3[nH]2)sc(C)c1-c1ccccc1 1860747351 FZEMUPRUORNNFD-UHFFFAOYSA-N 476.558 4.074 10 10 JICE CCCCN(C)C(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951384 COJIFBWYVABWNH-NRFANRHFSA-N 492.620 4.222 10 10 JICE COC(=O)c1ccc(COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)o1 1871004056 LSDYCNIGPJLSST-UHFFFAOYSA-N 489.528 4.155 10 10 JICE CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873167018 OOXGOJKAOYUMMK-HSZRJFAPSA-N 478.637 4.259 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080001553 KJDVFCKCYQYKFP-QGZVFWFLSA-N 479.362 4.350 10 10 JICE CCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 2314759594 DBOPMAAZODYHFP-UHFFFAOYSA-N 488.425 4.401 10 10 JICE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cc(Br)cc(OC)c2O)cc1 2332124705 HQQFHUCHJSMOEO-UHFFFAOYSA-N 480.318 4.401 10 10 JICE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 20236658 WWTHQUNXJZGGFW-MBRQZNNDSA-N 455.829 4.157 10 10 JICE Cc1ccc(NC(=O)COc2cccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)cc1Cl 34687693 ZLVCOPFHJMETEQ-VCHYOVAHSA-N 490.990 4.342 10 10 JICE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 39835684 QCTWXUOLRNBLHM-NBVRZTHBSA-N 485.562 4.254 10 10 JICE CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892716 WGLKFKJYAHOXTM-UHFFFAOYSA-N 483.476 4.216 10 10 JICE O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1cscn1 90624419 GZIKVFWTAWLMIO-UHFFFAOYSA-N 463.540 4.427 10 10 JICE CC[C@@H](C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 102435746 OAGAZGGQHQCTOY-HIPSJFSSSA-N 494.598 4.035 10 10 JICE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 105435943 FTGGWTNJLUIKFI-VABKMULXSA-N 469.468 4.138 10 10 JICE Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(N2CCCC2)cc1 299766815 FXVCGQHYTPUZLP-UHFFFAOYSA-N 454.596 4.254 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1O 1657184859 QYXRSHOKTKYAOI-UHFFFAOYSA-N 457.836 4.497 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 1705682122 RJHCUSMGYGUBIC-IBGZPJMESA-N 497.441 4.224 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029845 WLZKEWLOPKQTPE-HXOBKFHXSA-N 488.588 4.332 10 10 JICE CCc1sc(NC(=O)[C@@H]2CSCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866107384 KIGFXFUEHWNHPL-LBPRGKRZSA-N 455.399 4.128 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867984353 VMOYGJKQCDYZMM-BGYRXZFFSA-N 477.584 4.232 10 10 JICE CCOCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164140 OEMBXNVFUAGEKA-UHFFFAOYSA-N 457.574 4.390 10 10 JICE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n2)cc1 1890918204 VJGWLNYRYHWCCU-IZIIKQMZSA-N 472.589 4.175 10 10 JICE CN[C@@H](c1ccc2c(c1)CCN2C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2163137000 YYCQSVBTSQYWJW-VWLOTQADSA-N 464.654 4.499 10 10 JICE CC1=CC(C)(C)N2C(=O)C(=C3SC(=S)NC3=O)c3cc(OC(=O)c4cccs4)cc1c32 2293854790 PNLPIIROUAMZCB-UHFFFAOYSA-N 468.581 4.368 10 10 JICE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1C 2313558682 HJZQSLONOJBJHP-UHFFFAOYSA-N 491.544 4.160 10 10 JICE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2314769827 VVLWAKSUGBBUES-SFHVURJKSA-N 458.517 4.109 10 10 JICE CCOc1cccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1O 2323880113 SNCFVQSQCBRPGL-SFHVURJKSA-N 458.605 4.304 10 10 JICE Cc1ccc(-c2c(S(=O)(=O)c3cccc(Br)c3)nnn2-c2ccc(N)cc2)cc1 11730724 RFUJRJLBVXLZEO-UHFFFAOYSA-N 469.364 4.420 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OC(=O)c1ccco1 12619420 XUPDANYYHKPJFO-AQTBWJFISA-N 475.544 4.354 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N3)CC1 14472889 WJDXLXIDDCECNC-PMAPCBKXSA-N 488.997 4.011 10 10 JICE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 106787498 NPRWFGAKPCMZNY-DELVEFKNSA-N 481.637 4.125 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 205691438 XIHHMDBWUUFUTN-QGOAFFKASA-N 457.533 4.224 10 10 JICE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 205970139 KLYUFZZEJGLYRR-JJIBRWJFSA-N 499.523 4.405 10 10 JICE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526329832 ZZSDLPNDFXKBGT-XMMPIXPASA-N 479.485 4.189 10 10 JICE CC1CCN(c2ccc(CNC(=O)C[C@@H]3CCOC4(CCN(C(=O)NC(C)C)CC4)C3)cc2)CC1 581786122 NLBOIVJJKFPLKA-DEOSSOPVSA-N 484.685 4.308 10 10 JICE C[C@H]1CN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1 586713233 VIVVTOPOWZZERR-IRXDYDNUSA-N 483.524 4.355 10 10 JICE C[C@H]1CN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C[C@H](C)O1 586716897 GUGDMNQSOFCIMN-IRXDYDNUSA-N 483.524 4.355 10 10 JICE COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 1860086366 BWWPRDYBTUPWLB-VIZOYTHASA-N 452.897 4.377 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCc5ccccc5C4)c4ccccc34)[C@@H]21 1860347574 YTQOUHAPCAGZAB-GDLZYMKVSA-N 476.580 4.373 10 10 JICE CCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864010524 VGFZRGDGOXSYHE-FYMPMOGHSA-N 492.620 4.038 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865032229 YLEQBEQSNWDJRA-QHCPKHFHSA-N 496.567 4.334 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(Br)cccc3c2=O)N2CCCCC2)cc1 1866457045 FUQUYPGWWUQQEK-QFIPXVFZSA-N 497.437 4.314 10 10 JICE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3c(Cl)cc(Cl)cc3[nH]2)c2nccn2C)cc1 1866542588 LSVLZLBNAXSFOS-OAQYLSRUSA-N 470.360 4.154 10 10 JICE CC(C)[C@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868150967 MKHDXRGDXVQEHZ-QHCPKHFHSA-N 458.489 4.096 10 10 JICE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 1872886399 XEOBWMSYPQOEQG-UHFFFAOYSA-N 472.589 4.051 10 10 JICE CCCCn1c(C(=O)N2CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554691 UNXBFPSTGHYOIY-UHFFFAOYSA-N 476.625 4.193 10 10 JICE COc1ccc([C@@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080025869 SSKOLIPDMAHWJD-QGZVFWFLSA-N 483.350 4.204 10 10 JICE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 2296885551 ZNMHHBBTHZRGHE-UHFFFAOYSA-N 455.992 4.381 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 2314936063 UIGQYNHGFZNGJW-UHFFFAOYSA-N 450.488 4.224 10 10 JICE COc1ccc([C@@H](CN2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)N(C)C)cc1 2323880106 SAQMTBOWCPAEQM-LJQANCHMSA-N 458.605 4.217 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1F 20356268 VUCHSFACMSEBPF-JPXJQDSKSA-N 479.537 4.086 10 10 JICE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)n1nnc(-c2cccc(C(F)(F)F)c2)n1 104564629 YFNSOPFNZKBVLW-ZDUSSCGKSA-N 491.429 4.334 10 10 JICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 256039122 WCAMNGZDCQBUKT-RTWAWAEBSA-N 453.410 4.480 10 10 JICE O=C1N/C(=C/c2c(Cc3ccccc3)nn(-c3ccccc3)c2O)C(=O)N1Cc1cccc(F)c1 1082760546 BPJBGTMFHRVVIM-LFVJCYFKSA-N 468.488 4.401 10 10 JICE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864014556 YGKGTMYWQFJHBA-DYESRHJHSA-N 470.614 4.436 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164247 SABXBYCRXVNAQQ-UHFFFAOYSA-N 472.589 4.174 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1cc2cc(F)ccc2[nH]1 2296885152 GDFOBCIPYWOOCQ-UHFFFAOYSA-N 459.593 4.319 10 10 JICE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N12 2297341024 GVQDYZVTQOGZIW-UHFFFAOYSA-N 453.505 4.113 10 10 JICE CC1=CC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(Br)c3)C(=N)N2O1 2297347663 RFCFIIGWNVWGAK-UHFFFAOYSA-N 458.293 4.180 10 10 JICE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)cc1 3108793 DEOYJWHXYVZVBN-SGNDLWITSA-N 465.505 4.307 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 211943521 MIFDGUVOAUJKHL-BBDDYXILSA-N 498.626 4.116 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)CC1 1447710401 KDCYAGJGPIQJKN-UHFFFAOYSA-N 454.983 4.062 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCCC(C)C)CC1 1749846570 QISPQCHFLRTBPO-UHFFFAOYSA-N 478.641 4.084 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)oc(=O)c3ccccc34)CC2)cc1 1860363055 IBXLDAYKJROJHR-GOSISDBHSA-N 458.514 4.071 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861855203 BAOAHWLAZWPCTG-UHFFFAOYSA-N 452.441 4.063 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1865883999 DITOBNPJPGNSJX-DEOSSOPVSA-N 476.621 4.104 10 10 JICE CCOc1ccc(C(=O)N[C@H](CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537770 NFLFFABZLGIELG-CLJLJLNGSA-N 480.653 4.003 10 10 JICE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCCCCO)cc1OCCO 1870793030 VREWBOFJVPZQFZ-UHFFFAOYSA-N 451.567 4.128 10 10 JICE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)C12CCC2 1881482700 KBUOUNPQHPHOQS-VWLOTQADSA-N 460.619 4.018 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079060178 FGKMNCKFOOLJPW-VIFPVBQESA-N 450.223 4.225 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCC 2297620071 HPYZIPUNYWWIEG-UHFFFAOYSA-N 465.344 4.041 10 10 JICE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313559198 TWEZIAHTMBVOAR-UHFFFAOYSA-N 477.517 4.071 10 10 JICE O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O 2314600093 DMNHHCSRXZPUIH-UHFFFAOYSA-N 469.993 4.008 10 10 JICE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 1792529 LFLXHUWSWPVDAJ-CFTDAYSMSA-N 469.544 4.477 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1-c1ccc2c(c1)NC(=O)CO2 11857551 SBZRFBFXISUTHE-UHFFFAOYSA-N 455.561 4.129 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)C)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13641049 VHXKEYRYXWPQPL-PNCHPQGNSA-N 458.580 4.226 10 10 JICE COc1cc(OC)c(-n2cccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1Cl 32964487 DNLNMSPXMHXCJB-YWUDQDTFSA-N 483.859 4.329 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 33373182 JAAXXJAUZUVEJB-QGOAFFKASA-N 456.545 4.014 10 10 JICE O=C1/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 35084882 MSYTWMXIVWGVEE-CRRKTRLDSA-N 483.546 4.006 10 10 JICE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)c(O)c1 38175589 RFNLJDYGWASRTG-BMIJDEPSSA-N 465.594 4.305 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1O 40928065 WSJZOXCAPSHSAF-PTNGSMBKSA-N 488.425 4.488 10 10 JICE CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)OCC)C1=O 40938173 QLMJMMWFCPAUAO-RVDMUPIBSA-N 458.399 4.392 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)cccc21 170555381 WNLCJLFTBSFAOU-UHFFFAOYSA-N 455.857 4.118 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526507691 UWGMZXHOEWYGIB-HSZRJFAPSA-N 462.502 4.238 10 10 JICE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Cl)c1OC 1084239693 VPGPGTXAOAYOAL-NTUHNPAUSA-N 493.741 4.403 10 10 JICE CC(=O)N[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc(Br)c1 1149856745 CEDNOIPDUYJYNO-NRFANRHFSA-N 457.324 4.154 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3cc4ccccc4cc3NC(=O)C(C)C)c2)CC1 1466924972 HMSXQBIAODRCSC-UHFFFAOYSA-N 458.562 4.355 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864016454 PLKYZQIJAILHQV-HSZRJFAPSA-N 496.567 4.301 10 10 JICE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016477 PUWRUPLKJSHVOL-QHCPKHFHSA-N 496.567 4.149 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864023285 XEBVCJAFCWDDAX-QGZVFWFLSA-N 496.530 4.360 10 10 JICE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865028058 OLUNFKAKCMKQIZ-OSPHWJPCSA-N 488.588 4.055 10 10 JICE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cc(O)c(O)c(O)c2)CC1 1951855922 NRGPRUKZXQPKAQ-SANMLTNESA-N 475.497 4.217 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2080048680 VZZGTMLMQBSTRF-INIZCTEOSA-N 452.292 4.065 10 10 JICE Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2)cc1 2293175851 KMTDKSSOPNJUCO-UHFFFAOYSA-N 456.498 4.428 10 10 JICE COc1ccc(OCCOc2cccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)cc1 2293591242 OPANUWIDXTVTBH-UHFFFAOYSA-N 490.463 4.334 10 10 JICE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314760626 RPEBKYBJOVJTDA-OAHLLOKOSA-N 450.335 4.182 10 10 JICE COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 35882860 VVEJCHSXQQKUSL-HOSLJWMQSA-N 494.547 4.266 10 10 JICE biogenic COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC4CC4)[C@H]3C2)cc1 245280396 PBYCTIGDVTWNFS-JTHBVZDNSA-N 459.512 4.108 10 10 JICE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1857996748 DJKVWBMWNCQPDC-UHFFFAOYSA-N 490.491 4.324 10 10 JICE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1cccc([N+](=O)[O-])c1 1860565222 QSMHGIOSABSCGF-UHFFFAOYSA-N 492.447 4.270 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862222521 PONGXKLMGIEJCY-UHFFFAOYSA-N 489.616 4.251 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864019180 HPHLNMJKDZWOJN-HSZRJFAPSA-N 490.604 4.214 10 10 JICE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCN1C(=O)CSC1=S 1865768259 ONCJTYRBRLSHQW-UHFFFAOYSA-N 462.618 4.398 10 10 JICE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2040572472 HWWHFUJPFCASHI-UHFFFAOYSA-N 499.706 4.334 10 10 JICE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079880332 OBTNIMXPDJVKGQ-HNNXBMFYSA-N 492.260 4.316 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc(N)c2C1 2132358296 ZXVVLJDRKIJINQ-HRAATJIYSA-N 458.603 4.008 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 2293163830 MXSIQOJZQUUFIR-UHFFFAOYSA-N 450.520 4.182 10 10 JICE CC(C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2293441569 PKEIRMWBCJFBDB-UHFFFAOYSA-N 461.493 4.496 10 10 JICE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 2296751863 HEDIKKQKPHKGNS-UHFFFAOYSA-N 452.558 4.364 10 10 JICE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCCOCCOc1ccccc1 2297306630 JPWOLFZOMNMLSM-UHFFFAOYSA-N 478.932 4.276 10 10 JICE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 2297347844 VNGUZXLRNUYERO-UHFFFAOYSA-N 467.865 4.107 10 10 JICE N=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352691 MHEDZLZRHSHTLY-UHFFFAOYSA-N 470.352 4.382 10 10 JICE COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(I)cc4)N=C3C)sc2c1 2297453659 FMMHKQVHJNGDMS-UHFFFAOYSA-N 490.326 4.050 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC)C(=O)O 2314933076 SHPFFRICLWONAJ-HNNXBMFYSA-N 489.531 4.074 10 10 JICE Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)c(C)n1-c1cccc(F)c1 21277802 HRSAXPZAOYZVKN-UHFFFAOYSA-N 465.550 4.301 10 10 JICE C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781535 IKYZTAOZVKCFNZ-WQRHYEAKSA-N 466.563 4.141 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 47133168 VSCXYNCNARLFTO-AQTBWJFISA-N 480.571 4.284 10 10 JICE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 103638601 KRSFVVKKNMQOKR-HMMYKYKNSA-N 473.451 4.048 10 10 JICE C[C@H]1CN(c2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1 747390082 FHVLGNHDGBSGLG-HOTGVXAUSA-N 485.496 4.236 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864022156 UWBKSSUNNWMXMM-NRFANRHFSA-N 496.995 4.177 10 10 JICE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)C)n1 1867947448 PHSIXDOBUBSJHY-UHFFFAOYSA-N 469.630 4.105 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccccc4O)c4ccccc34)[C@H]21 1873859560 SXCMRNXVVCHFIC-SANMLTNESA-N 452.514 4.133 10 10 JICE Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873932294 FZSCFCWHTJCIMD-UHFFFAOYSA-N 479.496 4.430 10 10 JICE COc1ccc([C@H](n2nc(C(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2080001416 INCUACNXRTZCRB-KRWDZBQOSA-N 457.356 4.420 10 10 JICE CC(C)(C)OC(=O)N[C@]1([C@@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)C1 2106821055 QLJPEYDPQCNRDK-RPLLCQBOSA-N 451.611 4.490 10 10 JICE CC(C)(C)c1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(C(C)(C)C)c1O 2294581357 LAHLLDPIKQIOQV-UHFFFAOYSA-N 464.518 4.382 10 10 JICE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 2297243960 FXJAUHDNLLEZJU-UHFFFAOYSA-N 463.378 4.298 10 10 JICE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2297322490 HSQYOVWDMFFJED-UHFFFAOYSA-N 480.933 4.487 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)cc1OC 2314932169 SZDOMXONDUIQGC-UHFFFAOYSA-N 473.572 4.001 10 10 JICE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(Br)cc3)C2=O)c1 2320656204 HNVREQQVTKXIQP-UHFFFAOYSA-N 477.405 4.089 10 10 JICE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)CC1 2323858208 SPOXFJNCAXDPLU-UHFFFAOYSA-N 455.945 4.070 10 10 JICE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCCCC(=O)O)C2=O)cc1 15038437 VEENXHMYTOZNCQ-SDXDJHTJSA-N 462.637 4.337 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413140 PHABCNFONQNESR-RTBURBONSA-N 456.955 4.030 10 10 JICE COc1ccc(N2C[C@@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 145545607 OIWVNMRPHUCLHN-HZPDHXFCSA-N 473.570 4.390 10 10 JICE Cc1ccc(O)c(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210496860 QOYLIDYUCABPOZ-CXUHLZMHSA-N 450.488 4.142 10 10 JICE Cc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526389699 UUNYIECUAYAOMS-SANMLTNESA-N 471.557 4.215 10 10 JICE COC(=O)Cc1sc(NS(=O)(=O)c2cc(Br)ccc2OC)nc1-c1ccccc1 727249725 HEISBCIKHVSMMV-UHFFFAOYSA-N 497.392 4.098 10 10 JICE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1[N+](=O)[O-] 1084175731 PTGJZOKJHMIBPN-JAIQZWGSSA-N 462.437 4.116 10 10 JICE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3OC)C2=O)cc1 1858589034 MKWWFOQQXIFIAU-KGENOOAVSA-N 470.616 4.344 10 10 JICE COC(=O)c1cccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)c1 1860748886 MKPITRPBJIRAHS-UHFFFAOYSA-N 466.515 4.182 10 10 JICE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033252 VQDIUCNFMHCMHM-SBUREZEXSA-N 488.588 4.001 10 10 JICE CCC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912855 FCIVWXUBWJCNSR-LOSJGSFVSA-N 480.653 4.003 10 10 JICE CCNC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971969 DITWWSUCIMTKOU-UHFFFAOYSA-N 472.545 4.360 10 10 JICE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872956321 KCFVYLWZMWGYMH-UHFFFAOYSA-N 458.514 4.499 10 10 JICE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(O)c(O)c2O)CC1 1951961497 IBYBRGSAUXGXRL-AREMUKBSSA-N 475.497 4.217 10 10 JICE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)o2)c([N+](=O)[O-])c1 2053527814 DGCCOYKRQLLLSU-KRWDZBQOSA-N 462.505 4.174 10 10 JICE C[C@@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 2271985648 IWEWLPHDSBXVGJ-GOSISDBHSA-N 462.635 4.260 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296053599 DOQJOKJBVJSOPQ-INIZCTEOSA-N 476.627 4.257 10 10 JICE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 2313557968 PWKYDWPBEKEQKZ-UHFFFAOYSA-N 484.443 4.403 10 10 JICE O=C(CCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314827911 PBRRAWSVUGTJLO-UHFFFAOYSA-N 452.517 4.306 10 10 JICE CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C/C=C/c1ccc(N(C)C)cc1)CC2 14530677 LNVAJFYEDPMLSX-SNAWJCMRSA-N 490.677 4.159 10 10 JICE Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3O)CC2)c1 34683992 DRXABOSTTSCLTP-UHFFFAOYSA-N 480.586 4.289 10 10 JICE COCCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 39983457 KTWNCDANKHOABQ-DEDYPNTBSA-N 494.642 4.161 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 108787339 OEYKWJRPDOJVAZ-UHFFFAOYSA-N 462.512 4.249 10 10 JICE COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCc4ccccc43)CC2)cc1 248132666 LPCVFGWQESTPRX-JWQCQUIFSA-N 461.606 4.130 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526381369 ILVDUEOQASCHQG-XMMPIXPASA-N 479.485 4.189 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)sc(C)c1-c1ccccc1 1860627326 CWFBNUSJTHKKSH-IBGZPJMESA-N 470.591 4.256 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccccc3)C3CC3)C(C)C)CC2)cc1 1868684627 WCBPZKKQBOIYRG-BDYUSTAISA-N 463.622 4.069 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3C[C@@H]3CCCO3)CC2)cc1 1870483359 ZSYNIDJJYHBBOP-MHZLTWQESA-N 495.664 4.317 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166567 DCKHUJONKGFHHG-UHFFFAOYSA-N 486.591 4.197 10 10 JICE CCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873582242 DIZZNWFJDASNPC-UHFFFAOYSA-N 498.631 4.345 10 10 JICE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2296727046 IZOKLBXVSSQTRB-UHFFFAOYSA-N 453.520 4.354 10 10 JICE O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 2297559552 KYARCGBHCLQTBP-UHFFFAOYSA-N 461.493 4.264 10 10 JICE Cc1ccccc1NC(=O)CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314842163 CULURBPHTXFXDH-UHFFFAOYSA-N 463.378 4.303 10 10 JICE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2318684234 VOFKPSJXCGCMGR-HNNXBMFYSA-N 466.353 4.485 10 10 JICE COc1ccc(CN2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 1175624 BVYBBELLIYYHFQ-FOCLMDBBSA-N 461.362 4.181 10 10 JICE Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 2462326 VDUHRCNLAYKONV-XMMPIXPASA-N 458.518 4.266 10 10 JICE COc1ccc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1Br 33311146 WFFSLHMBDHWQKS-FLHGRMRGSA-N 461.366 4.381 10 10 JICE O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c2ccccc21)NCc1ccco1 33344888 XUFYCNINEYQZPM-BKUYFWCQSA-N 484.537 4.222 10 10 JICE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(Br)c1O 38173340 ACTYOJDPTKNOLC-XGICHPGQSA-N 496.111 4.433 10 10 JICE COc1cc(-c2c3c(nc4sc(C(=O)OC(C)C)c(N)c24)CCN(C)C3)cc(OC)c1OC 40570125 ZIWMLFHYUREVMU-UHFFFAOYSA-N 471.579 4.124 10 10 JICE Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)c4ccc(N)cc4)cc2)C3=O)cc1 59383320 UUDBZMDBCXWIRR-UHFFFAOYSA-N 485.521 4.277 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 250502319 HQSCVUDHUIDMFA-YZIHRLCOSA-N 462.571 4.393 10 10 JICE O=C(NCc1ccncc1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586612230 AXMQVLHBWKRKQD-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(F)(F)F)CC1 1286871253 IHSDQHBITAJYJA-UHFFFAOYSA-N 474.531 4.364 10 10 JICE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705687597 GUKSQMZPZJFUMP-UHFFFAOYSA-N 466.399 4.250 10 10 JICE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccccc4)c4ccccc34)[C@@H]21 1860347320 JQBSQSRPBCEMNV-MUUNZHRXSA-N 464.569 4.147 10 10 JICE COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860552288 YZRAWTMLMXDQRL-UHFFFAOYSA-N 477.476 4.370 10 10 JICE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccc2c(c1)OCO2 1860557449 DXZTYCUCVOXYCM-UHFFFAOYSA-N 491.459 4.090 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(C)c(C)c1 1860749328 YYGQMLFHKOWSHM-UHFFFAOYSA-N 466.515 4.433 10 10 JICE Nc1ccc(C2(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CCCCC2)cc1 1868155069 KQDMVAIUSJSFLL-UHFFFAOYSA-N 481.552 4.001 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(C)c3C)cc1C2=O 1873873386 FUJXPNCLYIVOEM-UHFFFAOYSA-N 471.465 4.182 10 10 JICE Cc1cccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873874652 AKKUXGQHDPORKV-NDEPHWFRSA-N 464.569 4.413 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cc(O)cc1O 1952829031 HIHBCQAOYLEJTQ-CYFREDJKSA-N 461.470 4.200 10 10 JICE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079027086 NOMAMTBGUDMQMF-MRXNPFEDSA-N 466.319 4.339 10 10 JICE COc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 2296412420 TZAODOPCZDUXDZ-UHFFFAOYSA-N 451.482 4.365 10 10 JICE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296721774 SXJKDJHGTMPPLN-MRXNPFEDSA-N 456.637 4.239 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 2297341603 YLCXEOYORUFFQZ-UHFFFAOYSA-N 496.878 4.439 10 10 JICE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2SC(=S)NC2=O)cc1 2297360006 OHOGOBQVLJJZOA-UHFFFAOYSA-N 484.580 4.055 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2313559234 UPGVCLHGFGYSEO-UHFFFAOYSA-N 450.466 4.375 10 10 JICE C[C@@H]1CN(C(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)C[C@@H](C)O1 2314489211 PQBMBTRRRHBYLR-IAGOWNOFSA-N 468.600 4.107 10 10 JICE COC(=O)C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(Br)ccc2S1(=O)=O 64979283 WRQCHQSCBAKWNP-UHFFFAOYSA-N 478.242 4.288 10 10 JICE Cc1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1F 109526724 RNCTUEKYOSNNBV-UHFFFAOYSA-N 469.582 4.064 10 10 JICE CCC(=O)N1c2ccccc2-c2c(O)nc(SC)n[n+]2[C@@H]1c1ccc(N(CC)CC)cc1 261366416 ZPAJNQJHDNHBNK-HSZRJFAPSA-O 450.588 4.008 10 10 JICE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1C 1084326919 IFHWXXWTDOIXRO-NTEUORMPSA-N 478.140 4.495 10 10 JICE CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1O 1167005990 RLDOYBIHEAWZPE-INIZCTEOSA-N 454.958 4.485 10 10 JICE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCC(C)CC4)cc3)cc21 1667136549 IAPLMORFNPUPGT-IBGZPJMESA-N 455.624 4.262 10 10 JICE CC[C@](C)(NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867341132 ACKRGQOFGVCRJT-SQHAQQRYSA-N 468.617 4.134 10 10 JICE CCC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684862 XWUAOEBFYRBDOU-NTKDMRAZSA-N 472.029 4.476 10 10 JICE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccn1 2296754983 ZKFWXUMLUJQELU-UHFFFAOYSA-N 462.394 4.464 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2297358279 HMEYUFSMEACLOD-UHFFFAOYSA-N 490.899 4.230 10 10 JICE CCOc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC 2979275 LRUDNVTTYDLPOB-OQLLNIDSSA-N 465.731 4.361 10 10 JICE CN(C)c1ccc([C@@H]2NC[C@H](CSc3nc(-c4ccccc4Br)n[nH]3)O2)cc1 21743317 GLPKFZHTDVGKQH-DNVCBOLYSA-N 460.401 4.080 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3C(=O)O)CC2)cc1 33253114 YWDUCRYPGUKWLY-UHFFFAOYSA-N 495.601 4.138 10 10 JICE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)N1CCCCC1 39793782 LPGNKEPRISBYQM-MOSHPQCFSA-N 472.588 4.081 10 10 JICE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989995 SDWGXTYAOKXNKM-STZFKDTASA-N 478.643 4.440 10 10 JICE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39991306 ZGXDMPSQWBUFMF-BFURNPMBSA-N 488.679 4.053 10 10 JICE CC(C)(C)C1(C)OC(=O)C(=Cc2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)O1 59567474 ZHKXTOWROFEXCQ-UHFFFAOYSA-N 498.513 4.032 10 10 JICE Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104784874 BQUXXQXLZJTAQY-FSSWDIPSSA-N 489.886 4.483 10 10 JICE COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 110025486 OJZUPFSIRMVGBF-SYJIQKIWSA-N 452.442 4.354 10 10 JICE O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Br)cc1 230046305 MRJIAYAOKOGDKM-PWRODBHTSA-N 465.303 4.206 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3N3CCCCCC3)CC2)cc1 743286166 HNIDUSXMYROECB-UHFFFAOYSA-N 451.615 4.019 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCCC1 1705574365 BRMJVIHOVVSLKB-UHFFFAOYSA-N 454.622 4.301 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(C)c4C)c4ccccn34)CC2)cc1 1858227186 YPRZCTATCUDJOO-UHFFFAOYSA-N 483.572 4.174 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865033962 LUTDTIQKMTYEMY-INIZCTEOSA-N 482.503 4.066 10 10 JICE CC(C)(NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867270216 REYAEYWLDAXJEG-UHFFFAOYSA-N 469.522 4.219 10 10 JICE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873165794 VMSZYDPWNUGTLA-UHFFFAOYSA-N 487.600 4.106 10 10 JICE COc1ccc(Br)c(CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1O 2236043103 IBTYGYIFKOZTAY-SNVBAGLBSA-N 457.287 4.099 10 10 JICE CCOC(=O)c1cccc(-c2ccc(C=C3C(=N)N4C(SCC)=NSC4=NC3=O)o2)c1 2297341085 SQPSGHMWVFCOTF-UHFFFAOYSA-N 454.533 4.453 10 10 JICE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1Cl 2297352722 PHTISHOMKPYCCT-UHFFFAOYSA-N 495.992 4.136 10 10 JICE CCN1C/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 9612952 PMQHSHQVCJCYQN-QGOAFFKASA-N 474.517 4.054 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCc3ccccc3C2)cc1 16914759 FEVSJROCGOJWCR-RUZDIDTESA-N 470.038 4.484 10 10 JICE CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)s1 22666410 FJXMUYFBKARRFH-DEOSSOPVSA-N 469.676 4.454 10 10 JICE CCCC[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC 34921506 PRYNFEWVCYVKLG-NRFANRHFSA-N 483.719 4.368 10 10 JICE COc1ccc(N2C(=O)/C(=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)SC2=S)cc1 35649083 FYRUULWRMCDSCE-NXVVXOECSA-N 474.610 4.345 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 206725742 HSBGGSOKMLLLGT-DEDYPNTBSA-N 494.598 4.207 10 10 JICE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cc1 747849066 UZMSWQFXYFCERJ-UHFFFAOYSA-N 454.476 4.307 10 10 JICE CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860251548 BQBSSFDKBRFXCG-IBGZPJMESA-N 464.562 4.179 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861948639 HMSLBPNUVJJGPF-HHHXNRCGSA-N 492.019 4.488 10 10 JICE CCCCc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)CC2=O)cc1 1865921502 KMPWMSYCGUBCAQ-ATIYNZHBSA-N 473.621 4.087 10 10 JICE CC[C@](C)(NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867330535 DRQOIEYOJFWUMD-LSYYVWMOSA-N 464.654 4.303 10 10 JICE CCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867674258 ZAUMIZDRANOZEL-AHKZPQOWSA-N 489.664 4.476 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3snc4ccccc34)c3ccccc3)CC2)cc1 1869057202 KOSRMBBZONRYRV-DEOSSOPVSA-N 486.597 4.125 10 10 JICE CCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870598872 COKNEGRCGLSLQW-UHFFFAOYSA-N 491.632 4.437 10 10 JICE COc1cc(Cl)cc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1O 2140758567 HXFKWKMVWYDQBL-UHFFFAOYSA-N 488.025 4.342 10 10 JICE CC(C)(C)OC(=O)N1CCC(NCc2cc(Br)cc(F)c2O)(C(F)F)CC1 2235751105 DRLGWBNMOJQHTG-UHFFFAOYSA-N 453.299 4.418 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 2297358676 RXVGJORWZCPTHF-GOSISDBHSA-N 456.498 4.497 10 10 JICE Cc1nn(-c2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548298 RJXOHGSKRVRYOU-UHFFFAOYSA-N 451.486 4.221 10 10 JICE COCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 2314507526 KLZPGZCKRJXYMR-UHFFFAOYSA-N 481.599 4.260 10 10 JICE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314627518 GJLDDDMLMHASHP-QFIPXVFZSA-N 495.670 4.162 10 10 JICE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 2314827448 FDEVIPMFUPRTKN-UHFFFAOYSA-N 458.561 4.030 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314934356 HDPUGNZPILYCFM-CYBMUJFWSA-N 459.545 4.352 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 9630955 IMJSSCUHDMHAGM-HMAPJEAMSA-N 457.486 4.393 10 10 JICE Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1cccc(C(F)(F)F)c1 22101585 IDUYMWKXMUVDQC-UHFFFAOYSA-N 462.449 4.140 10 10 JICE CC1=NN(c2ccccc2)C(=S)/C1=C\NCCN/C=C1\C(=S)N(c2ccccc2)N=C1C 22942406 HJNXCJTYDKVSAO-BMJUYKDLSA-N 460.632 4.380 10 10 JICE COc1ccc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1OC 23512909 FLETZLKHOMRPDM-UHFFFAOYSA-N 464.857 4.172 10 10 JICE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccccc1C(=O)O 34988807 ANXYRPPBVHKHBY-UHFFFAOYSA-N 453.292 4.429 10 10 JICE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 39989667 HDRKIDZETAEXNW-BKUYFWCQSA-N 478.643 4.358 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCc2ccccc21 208737136 WZOYDJZXVCTORL-STZFKDTASA-N 468.600 4.275 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCCSc2nccs2)C1 1301648892 FEUATFAGQDTDMP-QGZVFWFLSA-N 474.631 4.028 10 10 JICE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4cccc(Cl)c4)c(O)n3)CC2)cc1 1858516419 DGLWNOJICUWJFT-UHFFFAOYSA-N 485.009 4.261 10 10 JICE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864020511 CWSWPIGAUOFWNU-OAQYLSRUSA-N 468.598 4.046 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031936 RPYHLAUTQNWHLG-VGOFRKELSA-N 488.588 4.324 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426382 VOVJCZJWGBZKRH-UHFFFAOYSA-N 494.599 4.318 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 2313549361 UNLJMXRITPJWJZ-UHFFFAOYSA-N 472.497 4.339 10 10 JICE COCCN(Cc1ccc2c(c1)CCCN2C)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 9685728 PSMDWGAIAKYWHM-UHFFFAOYSA-N 495.645 4.215 10 10 JICE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)NCc1ccccc1 15043667 JHCVRHUKSLYEAH-PDGQHHTCSA-N 491.432 4.453 10 10 JICE C[C@@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15048813 AQTBFJJAHYDGDI-RILYUOAZSA-N 454.396 4.134 10 10 JICE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccccc2O)c1 21659031 YCZGALXPRZGCQM-HSZRJFAPSA-N 464.525 4.224 10 10 JICE COCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33511145 FPXQTNYVRGNRID-XMHGGMMESA-N 486.663 4.231 10 10 JICE COc1cccc(OCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 33651982 ACFOJVZLAYCVCD-JLPGSUDCSA-N 453.498 4.190 10 10 JICE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 39835952 GGMZCMPYYWORGX-SFQUDFHCSA-N 487.990 4.296 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066561 KEWGEHCRYZNNSX-STZFKDTASA-N 478.643 4.364 10 10 JICE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526228147 ZAJYYORKFRBATD-DEOSSOPVSA-N 479.485 4.189 10 10 JICE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)CC2)cc1 742947447 GAANYWZESGWGKW-XMMPIXPASA-N 468.598 4.107 10 10 JICE COc1ccc2[nH]cc(CNCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2c1 1860713461 BNJLJFBPICNAKI-UHFFFAOYSA-N 453.498 4.070 10 10 JICE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864019048 UVVWDRLKADIMME-JOCHJYFZSA-N 494.567 4.045 10 10 JICE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2053466805 FFCKTTJEUPAWMY-HXUWFJFHSA-N 495.651 4.236 10 10 JICE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2124169601 RDTRGDKMMIZDST-AFMDSPMNSA-N 453.583 4.081 10 10 JICE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 2294085078 BGBBHXAZGCYGSZ-UHFFFAOYSA-N 468.937 4.439 10 10 JICE Cc1ccccc1N1C(=O)C(=Cc2c(C)nn(Cc3ccccc3Cl)c2C)C(=O)NC1=S 2295181808 GPOCRIDWAYMSMX-UHFFFAOYSA-N 464.978 4.341 10 10 JICE N=C1C(=Cc2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352755 SRLRRTDCMLSEDX-UHFFFAOYSA-N 497.580 4.328 10 10 JICE CCOc1ccccc1NCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2313503300 TXNKZRNQJKDVAG-UHFFFAOYSA-N 460.577 4.382 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 15039814 ZFGHICAUBAXGDA-UYRXBGFRSA-N 458.561 4.117 10 10 JICE O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 33857862 RLTNUYCFYLYJRG-KHYRVOKUSA-N 452.601 4.250 10 10 JICE Cc1c(/C=C\c2nc3ccc(I)cc3c(=O)n2CCCO)c2ccccc2n1C 34798345 YGIYMLHQWIDMKT-LUAWRHEFSA-N 499.352 4.354 10 10 JICE Cc1cc(C(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(C)n1-c1ccc(F)cc1 62694581 XGIAZGWMTMZOMU-UHFFFAOYSA-N 472.564 4.284 10 10 JICE O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1cccnc1 90624460 PJWKEMIWXFTYAQ-UHFFFAOYSA-N 457.511 4.366 10 10 JICE CCc1c(C)sc2nc(/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)N3CCOCC3)[nH]c(=O)c12 95926799 GPQXFITYFVHSJE-XLNRJJMWSA-N 492.645 4.245 10 10 JICE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1F 96450518 ZKLUEUHCWVRRAB-OLKKAHHKSA-N 456.524 4.353 10 10 JICE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109759629 SMNAQVHJLFDLEW-UHFFFAOYSA-N 496.409 4.016 10 10 JICE Cc1ccc(CNc2c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 208273349 HNCFWABFPVDOJZ-SRZZPIQSSA-N 490.610 4.480 10 10 JICE COc1ccc(N2CCN(C(=O)CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 248147250 UASZLKJDUDYXSR-UHFFFAOYSA-N 461.406 4.494 10 10 JICE C[C@H]1CN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C[C@H](C)O1 586709332 QRTYJPAXESMZMO-IRXDYDNUSA-N 483.524 4.355 10 10 JICE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)c(C)c1 1858070107 HLJQQPPQPKHYMF-UHFFFAOYSA-N 452.579 4.315 10 10 JICE CCSc1ccc(Cl)cc1CC(=O)N[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861907574 DCUMSCHGGSQDGV-QFIPXVFZSA-N 490.069 4.247 10 10 JICE COc1cccc2c1C(=O)N([C@H](CC(C)C)C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865837489 VPOQXHZJNLMNCY-JOCHJYFZSA-N 496.519 4.120 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873167224 XAHXVYUBSSJDGT-UHFFFAOYSA-N 467.573 4.496 10 10 JICE Cc1cc(C=CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2040487282 ABXXFTHZBZNHLF-UHFFFAOYSA-N 477.605 4.477 10 10 JICE CCOC(=O)c1c(C2CC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2079979249 MXPKXCGBSMPJOH-LBPRGKRZSA-N 454.308 4.474 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCc1ccccc1 2296881602 QRBMGEIRCCDMPJ-UHFFFAOYSA-N 475.433 4.399 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 2296881726 XVIDTUIFGZLAAX-UHFFFAOYSA-N 454.617 4.426 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c1 2297624905 DGYYYNLXDVBNJC-UHFFFAOYSA-N 489.553 4.053 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NCCc3ccccc3)nc12 2314415163 ZLEBTAAXLZKLOW-UHFFFAOYSA-N 464.616 4.267 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)cc1OC 2318684136 RACZCBQCPBHBDJ-UHFFFAOYSA-N 459.618 4.474 10 10 JICE COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 14745277 IXEHTKCIWDOMEQ-UHFFFAOYSA-N 490.648 4.122 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4cnc5ccccc5n4)cc3)CC2)cc1 35536925 JIHALINLHOHVRA-FQEVSTJZSA-N 468.557 4.422 10 10 JICE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1cc2cc(F)ccc2[nH]1 103040572 GDFOBCIPYWOOCQ-LDADJPATSA-N 459.593 4.319 10 10 JICE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 726706628 OTIMXIXWJMWKKE-IBGZPJMESA-N 497.546 4.065 10 10 JICE C[C@@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)cc2NC1=O 727975528 GOWFHZSAPIUMIE-LPHOPBHVSA-N 463.559 4.424 10 10 JICE CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1Cl 729481295 AJEAHJDNRODGJZ-UHFFFAOYSA-N 463.962 4.366 10 10 JICE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(N5CCOCC5)cc4)C3=O)c2c1 1860087483 ASXLWIYJQTVMSH-CIAFOILYSA-N 451.573 4.419 10 10 JICE C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347213 BVBZQDBDFPNQCK-YXLNAYJUSA-N 456.590 4.483 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864018357 JEWJRSNDVSZKCZ-OAQYLSRUSA-N 496.995 4.169 10 10 JICE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864022890 ZPYRJMZWESPJKL-DEOSSOPVSA-N 498.583 4.466 10 10 JICE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccc(Cl)nn1 1867272032 ZGOMFLUPWBNUHR-QHCPKHFHSA-N 496.910 4.015 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1867308207 CKNNRXXVOZKNMT-JOCHJYFZSA-N 477.436 4.133 10 10 JICE CCNC(=O)COc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870973084 GRAWIGKFONSGFM-UHFFFAOYSA-N 498.583 4.473 10 10 JICE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526947 PSUHYMXYWMQYCF-UHFFFAOYSA-N 475.641 4.447 10 10 JICE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2Br)c1 2297347701 VBHSVKILYUDPEC-UHFFFAOYSA-N 482.290 4.127 10 10 JICE O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)C1=Cc1ccc(C(=O)O)cc1 2297350229 BELPSCOKRSWJIS-UHFFFAOYSA-N 476.872 4.284 10 10 JICE N=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018124 RTFCYHIXKKUEHE-NSRJHJJVSA-N 488.550 4.122 10 10 JICE O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1 20060218 MRJIAYAOKOGDKM-QHAWAJNXSA-N 465.303 4.206 10 10 JICE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1 33417438 BXVOKGOORGAPMM-HEHNFIMWSA-N 490.654 4.375 10 10 JICE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 40938052 DBOPMAAZODYHFP-PTNGSMBKSA-N 488.425 4.401 10 10 JICE CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)COc2ccccc2C=O)cc1 72413330 YVUISRAZCAQRFC-XMMPIXPASA-N 472.501 4.230 10 10 JICE COc1ccc(N2CCCN(C(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)cc1 108696279 UIXHPKWJIWJQSU-UHFFFAOYSA-N 461.562 4.226 10 10 JICE CC(=O)N1CC[C@@H](NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 1563889990 ABOVYFWESYIBMP-OAQYLSRUSA-N 458.509 4.054 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCCC5)CC2)cc1 1860253302 HENDRLIMYQKADD-LJQANCHMSA-N 476.573 4.105 10 10 JICE COC(=O)c1c(NC(=O)Cn2cccc(Br)c2=O)sc(C)c1-c1ccc(C)cc1 1865786320 VXSVAHSMSPYYCG-UHFFFAOYSA-N 475.364 4.381 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3sc(C)nc3C(C)C)c3ccccc3)CC2)cc1 1868977174 WXNOPSWQVIAHAG-DEOSSOPVSA-N 492.645 4.403 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)c(C)c4)n(-c4ccccc4)n3)CC2)cc1 1869970904 SHJXXZVAQOHZDT-UHFFFAOYSA-N 496.615 4.401 10 10 JICE CCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870598473 IFIVXPGVUYQIOT-UHFFFAOYSA-N 477.605 4.047 10 10 JICE COCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166616 SYDCQVIIFJHMOF-UHFFFAOYSA-N 473.573 4.009 10 10 JICE COc1cccc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC(F)F 2040483970 PDUJRPDIJPHUBJ-UHFFFAOYSA-N 451.472 4.427 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 2294095227 LXQWVLUMFGZEFR-UHFFFAOYSA-N 480.860 4.363 10 10 JICE CCOc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1OC 2296883582 ZXIOSWYYNHGLEA-UHFFFAOYSA-N 476.492 4.139 10 10 JICE CSc1nnc(-c2cc(Br)ccc2NC=C2C(=O)N(c3ccccc3)N=C2C)c(O)n1 2297313330 RJBJDIJUTRXQBQ-UHFFFAOYSA-N 497.378 4.447 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2ncccc2c1 2297350565 IWBKFIBTWUQSNG-UHFFFAOYSA-N 480.480 4.037 10 10 JICE CN1C(=O)C(=C2C=C(C=Cc3cc4c5c(c3)CCCN5CCC4)CC(C)(C)C2)C(=O)N(C)C1=O 2297612468 JCDNICVTUPZURX-UHFFFAOYSA-N 459.590 4.492 10 10 JICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 2313560786 GWMGFJULJZRHHY-UHFFFAOYSA-N 496.180 4.052 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1nccs1 2314836549 GPKLMYHQHLNHPM-UHFFFAOYSA-N 462.578 4.452 10 10 JICE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)cc1 2323840635 CSXWBECGHBGCEP-UHFFFAOYSA-N 473.428 4.085 10 10 JICE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141343 QYSUJIMNZPMKIT-UHFFFAOYSA-N 489.459 4.344 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 9030167 XVIDTUIFGZLAAX-HEHNFIMWSA-N 454.617 4.426 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCc1ccccc1 15038962 OZCAJHULSYPDQO-ATVHPVEESA-N 461.406 4.357 10 10 JICE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33445630 XESUSZXYEOBVDH-HKWRFOASSA-N 476.627 4.047 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4cccc(OC)c4OC3)SC2=S)cc1OC 33515921 RWDMUYDBDFCROC-FYJGNVAPSA-N 469.584 4.475 10 10 JICE O=C1/C(=C\c2cc(Br)c(O)cc2O)C(O)=NC(=S)N1c1cccc(Cl)c1 38185286 LABRUYGFPZSPQZ-WCIBSUBMSA-N 453.701 4.185 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526546541 QZYFFFNXKUIXTM-OAQYLSRUSA-N 455.413 4.450 10 10 JICE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCC[C@H](CN2CCCCCC2)C1 728745701 ISJHDIAVJJTFPY-HXUWFJFHSA-N 482.591 4.340 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(F)F)[C@@H](C)C1 1749847059 YOEHXGGSSADWON-SFHVURJKSA-N 486.567 4.039 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)cc4oc(=O)c5c(c34)CCCC5)CC2)cc1 1860277366 KPDMFIHZFPWMFG-IBGZPJMESA-N 476.573 4.105 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(O)cc1 1860344737 CEKVOOLRXSDBBY-UHFFFAOYSA-N 450.498 4.309 10 10 JICE CCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860600719 CQOLLWFPBPGWGL-UHFFFAOYSA-N 482.536 4.352 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864012688 GQJXGNBIIBEROB-NRFANRHFSA-N 496.995 4.169 10 10 JICE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029672 SNBAKECNWPMPDA-NRFANRHFSA-N 494.979 4.206 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)N2CCCCC2)cc1 1866554904 IFPHGILUMNIQSP-MHZLTWQESA-N 487.648 4.151 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)C[C@@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1868003269 DATCXAZBLWGWGE-NHCUHLMSSA-N 458.610 4.356 10 10 JICE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cc5ccccc5)cc4)c(=O)cc3O)CC2)cc1 1870131111 YGPSWHRZTUPNLZ-UHFFFAOYSA-N 495.579 4.105 10 10 JICE CCCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870656644 NGXYAWGDYZKPFZ-UHFFFAOYSA-N 465.569 4.155 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccccc3)ncnc21 1875200340 NEKDZALWNYJRNB-UHFFFAOYSA-N 484.604 4.077 10 10 JICE COCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2296851493 GRSNYKWHIILHOB-UHFFFAOYSA-N 485.562 4.172 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 2314717393 NSFMVBZSWOBYIJ-UHFFFAOYSA-N 479.377 4.013 10 10 JICE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)SC1=S 2326945180 GBYNFHDCQPDNHM-UHFFFAOYSA-N 479.583 4.346 10 10 JICE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330448027 LMSKXXOHXHZYBF-UHFFFAOYSA-N 476.404 4.259 10 10 JICE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15044618 HICNQAZUQUTBLP-HKWRFOASSA-N 484.599 4.441 10 10 JICE COc1ccc(N2CCN(CCN[C@@H](c3ccc(F)cc3)c3nnc(-c4ccccc4)o3)CC2)cc1 20988559 UQWMGOKYMJKSKQ-SANMLTNESA-N 487.579 4.386 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)SC1=S 40938060 ZUBMHYAFPHMPLZ-PTNGSMBKSA-N 488.425 4.401 10 10 JICE O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 102429413 BPGFDBBIHUDNAO-CPNJWEJPSA-N 450.541 4.413 10 10 JICE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c1 213208682 GDGZNRCNUSOJOD-PDGQHHTCSA-N 495.582 4.088 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526436169 GDILEFJPWDBNOX-XMMPIXPASA-N 461.470 4.375 10 10 JICE COc1cc2nc(C)sc2cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 726851582 LUKWVSUHLMCNKB-UHFFFAOYSA-N 462.575 4.318 10 10 JICE CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H](C)Cc1ccc(OC)cc1 731336339 YNRTXWJMMQUOFD-INIZCTEOSA-N 472.497 4.472 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 1084345480 FARNKMYCTVCXBQ-BOPFTXTBSA-N 468.918 4.449 10 10 JICE CC(C)CN(CC(C)C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 1084547316 JSIDEWFCDRVSOP-CIAFOILYSA-N 478.549 4.375 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCCSc2nccs2)CC1 1508176738 AHFKUBCGRBDAJO-UHFFFAOYSA-N 476.697 4.016 10 10 JICE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 1749859142 JAYMSAHSBFDQFT-NRFANRHFSA-N 466.674 4.208 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)sc(C)c1-c1ccc(F)cc1 1860746848 HMUHBCFOCAUHGC-UHFFFAOYSA-N 484.505 4.403 10 10 JICE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012703 HDGDCABSASHNTG-QHCPKHFHSA-N 490.604 4.214 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016504 QRHUVXMGHDTYSL-HSZRJFAPSA-N 496.567 4.382 10 10 JICE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)OCc2ccccc2)N2CCCCC2)cc1 1866050231 JZBKQMDJPBEXGP-XMMPIXPASA-N 466.626 4.101 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680268 IMMZZJBTEIDTIN-QFQXNSOFSA-N 463.622 4.049 10 10 JICE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868873013 XXLGJRDTKQUARR-RUZDIDTESA-N 470.013 4.087 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4ccccc4)n3)CC2)cc1 1869211276 JJHNJXDHCMJFIN-HXUWFJFHSA-N 481.604 4.326 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CCCSC)c3)CC2)cc1 1874728853 SKAQGDVUXMNLOI-UHFFFAOYSA-N 455.624 4.172 10 10 JICE O=C(N[C@]1(c2ccc([N+](=O)[O-])cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952762861 NOOORRFARYPXMY-OFVILXPXSA-N 460.442 4.139 10 10 JICE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(N)=O)c1I 2079997988 KSJKQQUQHFBHOP-AWEZNQCLSA-N 453.324 4.176 10 10 JICE CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C[C@H]4CCCO4)C(C)=C3C(=O)OC)c2C)cc1 2294034564 DTCLHNIZXDJKIS-HSZRJFAPSA-N 464.562 4.344 10 10 JICE COc1ccc(OCCCn2cc(C=C3C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1 2297461330 VQNPATJFZKATAG-UHFFFAOYSA-N 459.531 4.368 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2313558446 AXBXGYWTIKLEPY-UHFFFAOYSA-N 450.466 4.375 10 10 JICE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313559135 RPSXEAFJSBFFSU-UHFFFAOYSA-N 491.544 4.241 10 10 JICE COCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414601 FPXQTNYVRGNRID-UHFFFAOYSA-N 486.663 4.231 10 10 JICE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 1294934 DPYIRVGCJZPBCT-VHEBQXMUSA-N 471.991 4.307 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Br)ccc2O)[C@@H]2CC=C[C@H]32)CC1 14461084 LJBBJQZNXOFFKN-UQNRQAKVSA-N 468.395 4.369 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 40888796 CKAWVWXJJHVWKD-PTNGSMBKSA-N 488.425 4.401 10 10 JICE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1 226687001 WNNRKLXFSYZPRU-TVZXLZGTSA-N 451.636 4.374 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1OC 526512368 QFKIRUIXXZNUAH-DEOSSOPVSA-N 490.512 4.439 10 10 JICE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCN1CCOCC1 1705682258 VOOJXVWKCPIJMP-UHFFFAOYSA-N 499.457 4.030 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2cccs2)c(CCC(=O)O)s1 1858070654 ZGAVFDIDWYISNT-UHFFFAOYSA-N 452.579 4.315 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)COC)C2)sc(C)c1-c1ccc(Cl)cc1 1860655219 LNAVEDIEALSBPD-INIZCTEOSA-N 478.998 4.377 10 10 JICE CCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235201 LXKUNZPYJGRELR-OSPHWJPCSA-N 494.547 4.446 10 10 JICE CC[C@H](C)N1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167537 LTDDOXJDCWDORW-IBGZPJMESA-N 450.627 4.294 10 10 JICE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079982299 UYFCWLHCDKXNCF-KRWDZBQOSA-N 484.334 4.331 10 10 JICE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCO2 2140762095 LLFCNGKDURURSN-UHFFFAOYSA-N 463.619 4.299 10 10 JICE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1 2297341038 JDDLCXQQMSNCCA-UHFFFAOYSA-N 482.587 4.483 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=Cc2cccc(OC)c2OC)cc1 2297347915 BTQWOYJWHKCURQ-UHFFFAOYSA-N 459.458 4.455 10 10 JICE COc1cc(C=C2C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297364622 ZERGAVAFPAUQNH-UHFFFAOYSA-N 486.509 4.483 10 10 JICE COc1cc(C=CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 2325318763 VEOHCUJWWAOUTO-QHCPKHFHSA-N 467.610 4.135 10 10 JICE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 6645231 KNAGUFDQYARBAW-BKUYFWCQSA-N 476.460 4.088 10 10 JICE O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9296582 CAIBDSCUFVMHPZ-GIDUJCDVSA-N 465.306 4.492 10 10 JICE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14476255 BGQRYFBYZAALOY-AXHZCLLHSA-N 450.539 4.199 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15047153 DAHMDFOEGLMMBI-OTWJJXBCSA-N 490.990 4.451 10 10 JICE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N21 20206897 UQMBIDNZANDZKQ-AUIJKELASA-N 490.010 4.067 10 10 JICE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(N(C)Cc2ccccc2)n(C)c(=O)c1C#N 33458087 UIZZRHCXSUHIHA-FYJGNVAPSA-N 478.643 4.346 10 10 JICE CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892724 JXHDSLLORWUDOV-UHFFFAOYSA-N 483.476 4.218 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4OC)cc3)C(=N)N12 96450630 UDGSBROQZDPONF-IMIHHMTGSA-N 482.587 4.483 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864014557 YGKGTMYWQFJHBA-LAUBAEHRSA-N 470.614 4.436 10 10 JICE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(C2CC2)on1 1867151313 IQNYSCBDLIRHQE-RUZDIDTESA-N 491.503 4.437 10 10 JICE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(O)c(O)c2O)CC1 1951961498 IBYBRGSAUXGXRL-SANMLTNESA-N 475.497 4.217 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2124541049 OGSZGMUNLAQIJU-YKSBVNFPSA-N 457.575 4.379 10 10 JICE COCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 2314506861 GGMZCMPYYWORGX-UHFFFAOYSA-N 487.990 4.296 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3F)nc12 2314508402 POQJNSVDPVLNJW-OAHLLOKOSA-N 497.573 4.315 10 10 JICE COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2104386 MJCKIZLUEAJNBN-CYXNTTPDSA-N 495.531 4.310 10 10 JICE biogenic O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 33317931 UPRFZWDAJRKJQE-NBVRZTHBSA-N 491.432 4.066 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 33660156 GTAVOQZXFQIPDP-KHHNAJNHSA-N 472.885 4.346 10 10 JICE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)c3ccccc32)cc1 146131016 JZKUUEUXYLEJNG-QURGRASLSA-N 485.590 4.458 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206878314 LYNFFMUKJOBAOC-SILNSSARSA-N 490.647 4.013 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526158187 NTFAYXTZMJAEHK-RUZDIDTESA-N 491.496 4.334 10 10 JICE C[C@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)cc2NC1=O 727975525 GOWFHZSAPIUMIE-APWZRJJASA-N 463.559 4.424 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(Cl)cc3)CC2)cc1 888104301 SEMJGMWPIDVLHV-UHFFFAOYSA-N 492.022 4.173 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)c2)CC1 1435912452 OXCQMIAUFMKUBX-UHFFFAOYSA-N 450.926 4.448 10 10 JICE O=C1C[C@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]2CCOc2ccc(C(F)(F)F)cc2N1 1614976247 BIBKGTCWMUHVDB-HZPDHXFCSA-N 450.457 4.366 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3ccc(C(=O)Nc4cccc(OC)c4)cc3)CC2)cc1 1858113380 XCPSPCNHAFNSQG-UHFFFAOYSA-N 473.573 4.238 10 10 JICE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029251 JGODCHPPGZLPOW-OAQYLSRUSA-N 496.995 4.452 10 10 JICE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(=O)O)cc2)SC1=S 1871286909 BXOIBQJCUNVYSO-YBFXNURJSA-N 470.572 4.260 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422034 CDCQQJPYBNPUBH-UHFFFAOYSA-N 495.627 4.200 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080037532 MZFXEIAOTBLNGD-OAHLLOKOSA-N 470.307 4.197 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC4(CC(NC(=O)OCc5ccccc5)C4)C3)ccc(N)c2C1 2106811025 YQIBMWCDZSQKDW-UHFFFAOYSA-N 492.620 4.457 10 10 JICE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br 2294208463 DZDZQAMKAQDRPD-UHFFFAOYSA-N 465.756 4.251 10 10 JICE CCOC(=O)CCN1C(=CC=C2SC(=S)N(CC)C2=O)Sc2ccc(OC)cc21 2297321730 XAPWVUKIPFZSIS-UHFFFAOYSA-N 450.607 4.166 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934643 JERHYAWPJPDMCT-HNNXBMFYSA-N 457.573 4.381 10 10 JICE Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1cccc(C(F)(F)F)c1 3347956 UGOASMYNJGDLPR-UHFFFAOYSA-N 469.419 4.404 10 10 JICE C[C@H]1CN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2F)C[C@@H](C)O1 727307184 KHLLLASAIYXRPA-OYRHEFFESA-N 496.627 4.020 10 10 JICE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CCOC)[C@H](C)C1 1705745269 FIUIZRNMSZXMBH-HXUWFJFHSA-N 469.033 4.262 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864013583 DDSGDELGYYDVMS-QFIPXVFZSA-N 494.567 4.053 10 10 JICE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029068 FLEMEYXTVKCURX-RUZDIDTESA-N 496.567 4.452 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865030770 QLQRIHDNWABWFS-NRFANRHFSA-N 470.614 4.246 10 10 JICE CCN(CC)c1ccc2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866472722 HCIGVCGGYXKNBF-HHHXNRCGSA-N 489.664 4.397 10 10 JICE COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(-c5ccccc5C)cc4c3=O)CC2)cc1 1866475948 PARIENUCWODEFQ-UHFFFAOYSA-N 453.542 4.475 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCc5ccccc5C4)nc(-c4cccnc4)n3)CC2)cc1 1868004421 ZIIZMSJMKXFTJX-UHFFFAOYSA-N 478.600 4.437 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)CC2)cc1 1872721544 STMXNOVAWIISIF-UHFFFAOYSA-N 472.994 4.439 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C(C)C)C2=O)cc1 1873168912 PKWARVNIDVCEGY-UHFFFAOYSA-N 453.546 4.249 10 10 JICE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2c[nH]nc2c1 1873888059 HPNQXEOGHRJBIR-UHFFFAOYSA-N 474.524 4.479 10 10 JICE CC1(C)[C@@H](c2nc(O)c3ccccc3n2)[C@H]1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179254 VLMTYKVYUGLSBE-YADHBBJMSA-N 463.493 4.489 10 10 JICE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951961732 JYKRCLYQERIUJA-QHCPKHFHSA-N 463.486 4.494 10 10 JICE COc1ccc([C@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)c(O)c1 2080032457 DNNBSPHWBFUVPC-SFHVURJKSA-N 468.335 4.351 10 10 JICE COc1ccc(CN2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 2296139058 OZJNXQZYFVRMAD-UHFFFAOYSA-N 465.509 4.360 10 10 JICE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 2296881750 YVZUZJWOXTYNDY-UHFFFAOYSA-N 456.545 4.044 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccs4)n(C(C)(C)C)n3)CC2)cc1 2331396980 VNKOYIKUQBLVBR-UHFFFAOYSA-N 466.611 4.082 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 33436539 MADAFKIUIQSSAF-WMUNWQNWSA-N 498.586 4.128 10 10 JICE Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC4CCCCC4)cc3)SC2=S)s1 39793652 FXCDEEZUTSKFRU-BOPFTXTBSA-N 474.633 4.398 10 10 JICE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)cc1 54310964 RATIXQPAJAKISZ-XUZZJYLKSA-N 472.651 4.133 10 10 JICE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526366109 FLVGTQPZAWERNW-XMMPIXPASA-N 462.502 4.238 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 1556199648 QVWBGJCCNSWVKQ-UHFFFAOYSA-N 458.606 4.309 10 10 JICE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705745783 NQLFHQWJXBJSCE-OAQYLSRUSA-N 467.017 4.410 10 10 JICE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008322 IEIQMMGEUJJWCZ-HSZRJFAPSA-N 476.577 4.042 10 10 JICE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1867959357 SGIHZCQWPUSZFR-UHFFFAOYSA-N 486.664 4.318 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873165851 UBPCROLGFABPRC-UHFFFAOYSA-N 461.537 4.139 10 10 JICE O=C1C[C@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 2040482248 LLPMSDBNUDPWPG-KRWDZBQOSA-N 467.959 4.355 10 10 JICE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1O 2053496883 OJBSIOJULVXBBJ-UHFFFAOYSA-N 460.371 4.010 10 10 JICE Cc1c(C(F)(F)F)nn(Cc2cccc(Br)c2O)c1I 2079822506 HSJMRKFQFRDKKN-UHFFFAOYSA-N 461.019 4.331 10 10 JICE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2079854085 FFGUVNQKBMZAGE-LLVKDONJSA-N 498.239 4.397 10 10 JICE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C(=O)O 2079938157 CYLOHOLWLCWTNQ-INIZCTEOSA-N 454.308 4.460 10 10 JICE O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 2294216873 KZIBUPZZAYHOAS-UHFFFAOYSA-N 459.424 4.467 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296540747 NDHGMDHSANDEMQ-ULQDDVLXSA-N 470.664 4.485 10 10 JICE COc1ccc(CCN2C(=O)C(=Cc3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2296545996 FLANDCBUIPVYIQ-UHFFFAOYSA-N 494.642 4.215 10 10 JICE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(SCc5ccco5)o4)C(=O)N=C3S2)CC1 20356739 SSMVUIDTCIPZQJ-JUVBEIPNSA-N 455.565 4.473 10 10 JICE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 20683637 UNLIYHKCCUVFOA-IEGUWTFLSA-N 452.551 4.305 10 10 JICE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39989972 RLEAZZYVGXMHRN-HKWRFOASSA-N 488.679 4.057 10 10 JICE Cc1cc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c(C)n1-c1ccc2c(c1)OCCO2 109350388 DEDXIUPSYWDDAZ-HXUWFJFHSA-N 465.594 4.166 10 10 JICE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3ccc(Cn4cnnc4)cc3)C2=O)cc1 205954611 LPHOLEBNQHVASS-NCELDCMTSA-N 464.529 4.472 10 10 JICE COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)cc1OC 210439332 QMGVQIJOTFMWPE-ZHZULCJRSA-N 473.572 4.001 10 10 JICE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNC(=O)OC(C)(C)C 1705574818 OGAUKSIVERRNKE-UHFFFAOYSA-N 486.620 4.340 10 10 JICE COc1cc(N2CCC(NC(=O)COc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC 1858044462 VRRBOZUQMRVWJS-UHFFFAOYSA-N 469.365 4.183 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@H](c4ccccc4)N(C)C)nc3C)CC2)cc1 1858128400 FAAUXFIMXZFZFM-QFIPXVFZSA-N 450.608 4.074 10 10 JICE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1Cl 1858688289 XJQQKPSLLNIJAD-CYBMUJFWSA-N 456.886 4.343 10 10 JICE COc1ccc2c(c1)c(CNCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)cn2C 1860715715 UYAIKZKJPIRUBE-UHFFFAOYSA-N 467.525 4.081 10 10 JICE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675235 VSPISTBXKAQCPX-HYARGMPZSA-N 467.541 4.273 10 10 JICE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1ccc(Cl)cc1 1865679289 FKJIOVMPJSCZQE-QPEQYQDCSA-N 453.760 4.368 10 10 JICE COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3s2)cc1 1873894237 COAPGQVMFZJFRT-UHFFFAOYSA-N 482.587 4.424 10 10 JICE CCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 1874179334 YRQFVNBGGSMEHF-UHFFFAOYSA-N 467.477 4.457 10 10 JICE CC(C)C[C@@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179984 UJGGZPXSULRTNL-HSZRJFAPSA-N 467.525 4.341 10 10 JICE CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3OC)c2C)cc1 1874185065 ORFMKSDVMMXDTK-UHFFFAOYSA-N 462.594 4.427 10 10 JICE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C(F)F 2163121178 QGUNHLYZPQYYPX-SJLPKXTDSA-N 482.572 4.157 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 2293273343 NBBZVBFGQJAQKQ-UHFFFAOYSA-N 450.834 4.053 10 10 JICE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 2294229260 CAFQXXGPAGTPKX-UHFFFAOYSA-N 467.344 4.442 10 10 JICE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 2296881517 MAQFWQGXKOTNMZ-UHFFFAOYSA-N 496.969 4.345 10 10 JICE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 2297056946 AZDFMOZYNPWMGK-UHFFFAOYSA-N 458.474 4.307 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCCCC3)nc12 2314414280 VBMTVLYUTQOTBB-UHFFFAOYSA-N 454.621 4.137 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2314414372 XKPLAFBOUFFYDU-OAHLLOKOSA-N 450.589 4.397 10 10 JICE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817642 FALKCTJUGAXSHH-UHFFFAOYSA-N 484.628 4.457 10 10 JICE Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2314842420 VBQIWHBQBWHZDV-UHFFFAOYSA-N 470.572 4.079 10 10 JICE COc1cc(C=CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1OC(C)=O 2325352699 BPWPUSKEWPEVLP-XMMPIXPASA-N 465.594 4.043 10 10 JICE Cc1ccc(C(=O)NN2C(=O)/C(=C3\C(O)=Nc4ccc(Br)cc43)SC2=S)cc1 33930017 YTEVSVVWEPLGEC-CCEZHUSRSA-N 474.361 4.276 10 10 JICE CCOc1ccccc1NC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 38620045 BGRRDRXVRSOBFP-HSZRJFAPSA-N 464.566 4.372 10 10 JICE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N([C@@H](C)CC)C3=O)c3ccccc32)cc1 39983384 MBTGWVFEIUQNLS-SKAIHHOBSA-N 495.626 4.441 10 10 JICE CCOC(=O)CCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 206864586 BRINMELIFOTIEW-QZQOTICOSA-N 466.584 4.148 10 10 JICE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 526502716 XVKVJFSUWGOXHT-SANMLTNESA-N 488.540 4.390 10 10 JICE CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)ccc21 727602441 OQKKUIRJDBBZOW-QHCPKHFHSA-N 452.986 4.380 10 10 JICE Nc1ccc(N(CCc2c[nH]c3ccccc23)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1857991431 DTVGPICCVSEDKR-UHFFFAOYSA-N 488.613 4.424 10 10 JICE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)COC)CC2)sc(C)c1-c1ccc(Cl)cc1 1860629749 DVBTZMUVEPSDCC-UHFFFAOYSA-N 478.998 4.377 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccco2)sc(C)c1-c1ccc(OCC)cc1 1860762845 SXGPVONBLPUQPQ-UHFFFAOYSA-N 456.520 4.147 10 10 JICE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)c2)c1 1860833347 SDQQYMWYARNMGS-UHFFFAOYSA-N 466.541 4.467 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864016947 AQFFGCMDPFAZAE-YBVWCTEOSA-N 488.588 4.235 10 10 JICE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019119 GQFFYZXLWMCUGX-SZNDQCEHSA-N 496.995 4.168 10 10 JICE O=C(CCc1ccco1)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866580129 SGCODCVRFIOQPW-RUZDIDTESA-N 492.531 4.354 10 10 JICE CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649906 BMOXEXFCBODKTH-UHFFFAOYSA-N 499.619 4.105 10 10 JICE C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873866150 BVBZQDBDFPNQCK-PUIUQNQWSA-N 456.590 4.483 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccccc4OC)c3)CC2)cc1 1874731945 ZPQNNHIKITXBEB-UHFFFAOYSA-N 488.584 4.247 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1892277540 VRIHRPRZRPFZPF-OFVILXPXSA-N 487.625 4.357 10 10 JICE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(C(N)=O)c2I)cc1C 2079977809 RCGDBKOFZOEPTE-QGZVFWFLSA-N 453.324 4.032 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 2293531501 SHCAEYXLJLUHPF-UHFFFAOYSA-N 464.861 4.443 10 10 JICE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352808 YQYGGGMNKQNCDO-UHFFFAOYSA-N 475.574 4.207 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2297559145 UGJBMKAXFAWNKR-UHFFFAOYSA-N 471.853 4.479 10 10 JICE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 2313682777 KMNADTNDQORCLL-UHFFFAOYSA-N 457.530 4.397 10 10 JICE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(Br)cc1 2313683073 RDIOCKLLDZDQPI-UHFFFAOYSA-N 458.312 4.110 10 10 JICE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2314413669 DIQHIHLSWGXILF-QGZVFWFLSA-N 484.647 4.128 10 10 JICE O=C(O)CCCCCN1C(=O)C(=Cc2cccc(I)c2)SC1=S 2314717342 FWVACUCEYRSCBP-UHFFFAOYSA-N 461.346 4.137 10 10 JICE CCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 2314764836 NLLFMDWXVXLRCH-UHFFFAOYSA-N 471.991 4.403 10 10 JICE O=C(CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 15035684 SYSHYQZKAVEHJY-DHDCSXOGSA-N 467.450 4.454 10 10 JICE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)Cc3cccs3)CC2)cc1 20289529 WPWQNBYEUQNJRZ-UUOWRZLLSA-N 455.649 4.429 10 10 JICE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33781528 XCYSJZDAFVKIII-LDADJPATSA-N 468.579 4.365 10 10 JICE COc1ccc(O)c(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)Cc2cccs2)[C@H]3OC)c1 209112076 SSERDWCZDHSILS-RRPNLBNLSA-N 492.641 4.425 10 10 JICE NC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 210222570 SJVCPHCXGUXSMG-WQRHYEAKSA-N 451.485 4.360 10 10 JICE Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 253573252 RFGXZYFKVKPJTK-YTFSRNRJSA-N 469.468 4.138 10 10 JICE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1Cl 1084117439 FSGULMUGQQUEHH-BOPFTXTBSA-N 468.824 4.192 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1O 1654726106 RJZIZHOKTUCNAK-FPOVZHCZSA-N 450.551 4.018 10 10 JICE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)s2)N2CCCCC2)cc1 1858074935 XNIYHKXDNLNYEW-QGZVFWFLSA-N 472.474 4.082 10 10 JICE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865030140 DHFDUMLPUIISGZ-FQEVSTJZSA-N 456.587 4.000 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc(Br)cc4)C3)cccc21 1874016956 IYQFBTQXMUSCAI-AWEZNQCLSA-N 489.325 4.216 10 10 JICE O=C(CCCC(=O)N1CCO[C@@H](c2ccccc2)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017344 OVUGGJQSEMWBEK-XMMPIXPASA-N 482.536 4.171 10 10 JICE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1951703139 MXJZLKLNWYIYDR-FUPPJEDESA-N 459.498 4.268 10 10 JICE COc1ccc(-c2nc3sccn3c2C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2297499736 YOFGGEYPPHMZFW-UHFFFAOYSA-N 485.554 4.134 10 10 JICE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314836331 DAHMDFOEGLMMBI-GFCCVEGCSA-N 490.990 4.451 10 10 JICE CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1 2321582913 ZMEVEGMLPUZFDU-UHFFFAOYSA-N 456.545 4.335 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2Cc1ncc(I)cn1 2381622004 KMMOPSKBRHQWDT-UHFFFAOYSA-N 480.350 4.059 10 10 JICE CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 20175876 GSGUWBWZAZAPHU-XMHGGMMESA-N 462.889 4.419 10 10 JICE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 33457467 VBIMAIHTJUYPRB-JNHVIYSYSA-N 454.895 4.125 10 10 JICE CCN(CC)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 33715579 VIFJESYOVSHMTJ-FMQUCBEESA-N 453.589 4.117 10 10 JICE COc1ccc(N2CCN(CCNC(=O)c3c(-c4c(F)cccc4Cl)noc3C)CC2)cc1 742926803 AWLKRLPTLNGQQY-UHFFFAOYSA-N 472.948 4.003 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OCC 1858592487 PQKJNGZRVFLQJR-NNIWKIFQSA-N 473.572 4.087 10 10 JICE CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1OC 1860087590 IWOGUXJDHWXUHN-RCCKNPSSSA-N 456.589 4.336 10 10 JICE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030158 DQDXDKLFPNVWNF-NRFANRHFSA-N 468.598 4.143 10 10 JICE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865033709 GVULXOQZCAKNHR-QGZVFWFLSA-N 496.530 4.456 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)CC2)cc1 1874729375 RCJSOVMEHBSANT-UHFFFAOYSA-N 488.544 4.251 10 10 JICE CCOC(=O)c1c(C)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079106689 LUIQTHRKRRKTCW-INIZCTEOSA-N 454.308 4.376 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)ccc(N)c2C1 2163172172 NMBJKAXSSJWULG-ROUUACIJSA-N 472.630 4.255 10 10 JICE COc1ccc(C=C2C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1Br 2293239209 WFFSLHMBDHWQKS-UHFFFAOYSA-N 461.366 4.381 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCC3)nc12 2296698796 UPSGTNOXAHCZBD-UHFFFAOYSA-N 462.600 4.005 10 10 JICE COc1ccc(N2CCN(CCCNC(=O)c3oc(=O)c4ccccc4c3-c3ccccc3)CC2)cc1 9505220 FKDGLMADUHAJEE-UHFFFAOYSA-N 497.595 4.411 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5c(C)cc(C)cc5s4)C3)CC2)cc1 9848320 BOIGPDFWYCGGET-FQEVSTJZSA-N 464.635 4.487 10 10 JICE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c1C 59271026 DTXWDSPCTBMORJ-RUZDIDTESA-N 451.473 4.331 10 10 JICE Cc1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 96836717 CCJUUFMJKWFXJP-GRSHGNNSSA-N 473.441 4.028 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 210698537 GDSYCIRJVQCIBE-XMHGGMMESA-N 454.573 4.402 10 10 JICE O=C(COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1 1858837568 JGXWPIXDKOPELZ-UHFFFAOYSA-N 498.539 4.329 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(-c4ccccn4)n3)CC2)cc1 1862374132 HRFCGAVXPGVAHM-UHFFFAOYSA-N 457.509 4.044 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028213 RRXALTUNEVXIRM-RCDICMHDSA-N 494.979 4.341 10 10 JICE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419690 PVNZYGIRBYFNDP-RUZDIDTESA-N 498.583 4.424 10 10 JICE CCN1C(=O)C(=Cc2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2053494385 TUAFQFCIHJDDBW-HNNXBMFYSA-N 450.589 4.397 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Br)c1 2296881702 WSQCNGRKYBMSJA-UHFFFAOYSA-N 491.388 4.408 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 2297298425 SJUSNSIEIKNHNB-UHFFFAOYSA-N 450.834 4.273 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c1 2314842443 VVBBLQXMBLQWIQ-UHFFFAOYSA-N 463.378 4.303 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)cc1OC)C(=O)O 2314931322 FAUBXWZHIRPEKX-QGZVFWFLSA-N 473.572 4.087 10 10 JICE CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106653 PZCRGNUMOLQVKH-UHFFFAOYSA-N 483.996 4.251 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c(c(C)nn4C(C)(C)C)c3C)CC2)cc1 9408543 FAARLJIOPRXBQZ-UHFFFAOYSA-N 463.626 4.402 10 10 JICE CN(CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)S(=O)(=O)c1cccs1 10911914 BUXNBPFPKTWJMR-DEOSSOPVSA-N 466.584 4.133 10 10 JICE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1 14551955 FLGGRQHYTBXWJZ-DPLHUUCSSA-N 455.649 4.171 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OC 34865176 GBDCTUKCGKVYAK-VESRFHCQSA-N 472.969 4.424 10 10 JICE CC1=NN(c2ccccc2)C(=O)/C1=C/NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 38183986 SHQOBSHXLWPFNZ-SVRJJRGUSA-N 466.950 4.273 10 10 JICE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989545 MIHZFZRKMUNKQJ-GEYIUBJWSA-N 470.664 4.336 10 10 JICE Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 103234348 MDOIDYPHLFNBQG-VAXYQBTPSA-N 467.510 4.277 10 10 JICE Oc1cccc([C@@H]2C=C(c3ccc(N4CCOCC4)c(F)c3)Nc3nc(C(F)(F)F)nn32)c1 103419079 FVYIQACSNOZWAK-IBGZPJMESA-N 461.419 4.034 10 10 JICE CC[C@@H](C)OC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857790 HLEDLKWTWICLEM-OAHLLOKOSA-N 473.485 4.222 10 10 JICE Cc1cccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)c1C 1859616670 XEVBUMLGMQXQCL-UHFFFAOYSA-N 463.493 4.185 10 10 JICE CC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867244201 WXRDCXKBBOPQGF-AOMKIAJQSA-N 480.520 4.056 10 10 JICE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(O)cc1O 1951862552 CDVGAJABEAFHCY-QHCPKHFHSA-N 463.486 4.494 10 10 JICE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080033423 KBDVGZVEXFGGHO-QGZVFWFLSA-N 496.345 4.430 10 10 JICE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2106884628 CRAUYDXTNPKAPM-SJORKVTESA-N 460.619 4.302 10 10 JICE COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2296709060 LQCZGZGCKMRSTC-UHFFFAOYSA-N 480.615 4.233 10 10 JICE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Br)cc2)N3)CC1 13638814 AEUPQYUTIVGIOW-VIZSFHNOSA-N 488.451 4.212 10 10 JICE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641928 RNPAWDXGROARIG-GLDPYIMESA-N 452.551 4.305 10 10 JICE COc1cccc(O)c1CN1CCc2c(cc(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)C1 14539567 BGCUTZLQLKPEBB-UHFFFAOYSA-N 460.452 4.223 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)ccc1OCC(=O)O 16915020 OBTOQTFTPRHZPA-CXUHLZMHSA-N 480.361 4.327 10 10 JICE CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33474021 BQQBYPOJHZCADZ-IYWFSZBXSA-N 472.636 4.067 10 10 JICE Cc1cc(I)ccc1NC(=S)NCc1ncccc1Br 243387983 MKNSRAVVKRPIRB-UHFFFAOYSA-N 462.154 4.244 10 10 JICE CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)SC1=S 915838300 APOBQTUUBZUMTQ-ZDLGFXPLSA-N 459.545 4.153 10 10 JICE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)[C@@H](C)C1 1286870568 CJGNEGZAFINBHX-SFHVURJKSA-N 470.568 4.455 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Br)CC2)cc1 1458047878 YKUMXQAHJXYDPN-AWEZNQCLSA-N 453.764 4.227 10 10 JICE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864007692 SDIJDBAPYJPAPW-RUZDIDTESA-N 496.567 4.036 10 10 JICE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015996 YFGWFQZMAOCRRJ-BBRMVZONSA-N 482.503 4.020 10 10 JICE CCOC(=O)CCOc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870876805 URWJUZVJFUVULI-UHFFFAOYSA-N 492.620 4.488 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H](CNCc2cc(Cl)cc(Br)c2O)OC(C)(C)C1 1926511601 OCLRJXULHDTQQQ-CQSZACIVSA-N 463.800 4.312 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079848180 DTBNCSIHZYXCMS-ZDUSSCGKSA-N 451.239 4.411 10 10 JICE Cc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1 2293618323 NJWQSDAECXTHTE-UHFFFAOYSA-N 482.587 4.428 10 10 JICE CC(C)Oc1ccccc1C=C1SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 2295956380 XBLMZBQVBDTYNE-UHFFFAOYSA-N 452.536 4.175 10 10 JICE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296716288 ZFLLTGOYIXJURR-HNNXBMFYSA-N 465.600 4.350 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 2297347683 SSSURFPIZNABSO-UHFFFAOYSA-N 463.490 4.002 10 10 JICE COc1cccc(OCCOc2ccccc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297499670 TXRQKPOYGGDFAX-UHFFFAOYSA-N 464.547 4.428 10 10 JICE CCSc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)s1 2314578058 ALWQJHYDMLGBBY-UHFFFAOYSA-N 450.636 4.189 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1O 2314764759 LTHGUTSEIGVALM-UHFFFAOYSA-N 493.404 4.408 10 10 JICE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OC 2314767221 DZRVZPDTVUHKAW-UHFFFAOYSA-N 488.425 4.401 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC)C(=O)O 2314932353 MOLACQKWYHOKTQ-AWEZNQCLSA-N 473.528 4.072 10 10 JICE CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3I)c2)SC1=S 6578277 NUFJFMHZVVPEJJ-XNTDXEJSSA-N 481.336 4.341 10 10 JICE Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1nccc(-c2ccccc2F)n1 12152284 YVHRANYBIDBIPM-UHFFFAOYSA-N 456.525 4.089 10 10 JICE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)cc1OC 16907883 SZDOMXONDUIQGC-XSFVSMFZSA-N 473.572 4.001 10 10 JICE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 33870020 CJLVTRGTQDAGEV-DEDYPNTBSA-N 495.582 4.232 10 10 JICE COc1ccccc1N1C(=O)/C(=C2\C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 34771865 OFHCMYRIVXBHPI-QZQOTICOSA-N 465.600 4.261 10 10 JICE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(I)cc1 59372256 CYIFAYJZSYJSSE-PXNMLYILSA-N 496.351 4.291 10 10 JICE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 211943598 MIFDGUVOAUJKHL-QSBCOWLBSA-N 498.626 4.116 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526158218 OOWZDISYADEQIV-VWLOTQADSA-N 491.496 4.334 10 10 JICE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084003374 WIYYYJPNEWIZDC-ZROIWOOFSA-N 480.771 4.127 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1O 1473527650 IGQBIOFVNLXFME-IRLDBZIGSA-N 450.551 4.018 10 10 JICE O=C(C[C@@H]1CCCCO1)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867247457 CXKRSATZNCREQY-CPJSRVTESA-N 496.563 4.087 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868842408 MPJDKCRPJBXCJD-CLJLJLNGSA-N 497.705 4.330 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164711 OJUWXIMFJYJEOA-UHFFFAOYSA-N 492.579 4.438 10 10 JICE COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420617 RRWRGPVNAMJOHI-UHFFFAOYSA-N 459.546 4.331 10 10 JICE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1OC 1873931568 QXCCAFRKZUGFIU-UHFFFAOYSA-N 480.524 4.230 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294235400 KSILZXSCXSWNLT-UHFFFAOYSA-N 465.756 4.333 10 10 JICE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 1277009 RBRYNZMSHHZSFF-SLDJAQPHSA-N 457.573 4.345 10 10 JICE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 20356464 HMHQAGCMAJNYOG-SVKNRIHUSA-N 475.574 4.337 10 10 JICE COc1cc(/C=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)ccc1OCc1ccccc1 35531026 RNQZJNGLDJSXQV-HMAPJEAMSA-N 495.582 4.004 10 10 JICE CCOC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 40562556 XRELIVRUNZMQGC-PGMHBOJBSA-N 499.658 4.252 10 10 JICE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1 64958754 VYVONJOAWVNDEA-NRFANRHFSA-N 472.568 4.134 10 10 JICE C[C@H]1CN(C(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)C[C@@H](C)O1 211943343 PQBMBTRRRHBYLR-QALXIQJFSA-N 468.600 4.107 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526395449 MUGBGQWIBIZLIR-QHCPKHFHSA-N 476.485 4.131 10 10 JICE CCCCS(=O)(=O)N(Cc1cccc(C(=O)O)c1)c1cccc2c1C(=O)c1ccccc1C2=O 586189639 NJEHLTUIZFKKCT-UHFFFAOYSA-N 477.538 4.297 10 10 JICE Cc1cc(CC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(Cl)cc1 726948845 RFXGBJSCPFQQHX-UHFFFAOYSA-N 455.908 4.350 10 10 JICE C=CC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 1632696945 AXERIKMLCUAWKX-UHFFFAOYSA-N 454.574 4.428 10 10 JICE O=C(COc1ccccc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860507699 MWQYQFFQLYULDE-UHFFFAOYSA-N 477.476 4.127 10 10 JICE CC[C@@](C)(NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861897244 JEDDTVMKZRVFST-RUZDIDTESA-N 490.069 4.247 10 10 JICE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864008056 AULSXZOLOLSEIY-NKNQFRNOSA-N 488.588 4.041 10 10 JICE COc1cccc2c1C(=O)N(CCCCCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C2=O 1865831977 FFTQQBMNNXIATF-UHFFFAOYSA-N 496.519 4.266 10 10 JICE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(F)cc3Cl)cc1C2=O 1873909945 JXIQMTFJMYZHSG-UHFFFAOYSA-N 495.846 4.357 10 10 JICE Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873928771 IFLLPBXVQKYZSB-UHFFFAOYSA-N 479.496 4.430 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1 2293430075 JFUNFEXHUZDNAH-UHFFFAOYSA-N 458.514 4.313 10 10 JICE COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)cc1OC 2297315504 WVDXOOUVFHBOSV-UHFFFAOYSA-N 474.538 4.461 10 10 JICE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 2313543731 FARNKMYCTVCXBQ-UHFFFAOYSA-N 468.918 4.449 10 10 JICE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3c(C)cccc32)SC1=S 2314769850 WEGHPDBVINVFSU-SFHVURJKSA-N 452.557 4.213 10 10 JICE CC[C@@H](C)OC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945442 VMJIUGLYCGEKDV-CQSZACIVSA-N 460.577 4.049 10 10 JICE COc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)cc2)cc1OC 1121034 SJEGXVJNDHHZJL-KGENOOAVSA-N 486.480 4.425 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15040598 JVUSYSIBJDPMNY-SILNSSARSA-N 468.600 4.316 10 10 JICE CCCCCCC(=O)NCCc1c(/C=C2/C(=O)N(C3CC3)C(=S)N=C2O)[nH]c2ccccc12 38170205 PFMHBGXOFBADPT-XDJHFCHBSA-N 466.607 4.426 10 10 JICE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 101110239 TXSXMLQALIYJOK-UNOMPAQXSA-N 489.329 4.318 10 10 JICE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)N(C)c2ccccc2C(=O)O)C1=O 210494683 HXPXUDCSHJUPLA-MLBUPBODSA-N 452.557 4.195 10 10 JICE Cc1cc(CCNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(C)n1-c1ccccc1 726086306 JVIDNESTFXODGA-UHFFFAOYSA-N 465.642 4.443 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1508175442 CKNISEQOMHTFJI-UHFFFAOYSA-N 452.647 4.133 10 10 JICE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4cc(C)ccc4OC)sc3C)ccc21 1859572633 WAGAJUUDQJUZSD-UHFFFAOYSA-N 457.577 4.145 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030599 MRJRWCDKHOPWNZ-HXUWFJFHSA-N 456.587 4.000 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1872956086 CVKGWHZANJCEBN-UHFFFAOYSA-N 458.514 4.497 10 10 JICE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873426164 QIAFVZWGSYBUHJ-UHFFFAOYSA-N 481.556 4.261 10 10 JICE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106816668 QOLIQDXSLVPDMN-LMKMVOKYSA-N 458.603 4.056 10 10 JICE CCN1CCc2cc([C@H](N)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106848596 KOHFGGCTIVWTMY-IGKIAQTJSA-N 450.627 4.238 10 10 JICE CN1CCCc2cc([C@@H](N)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106863626 JMVRHEYCRURENL-SQHAQQRYSA-N 450.627 4.238 10 10 JICE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2294093836 VPNHAYPTFCSXQB-UHFFFAOYSA-N 467.821 4.183 10 10 JICE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OC 2294094935 FJTYSUNWKHIWMB-UHFFFAOYSA-N 479.714 4.176 10 10 JICE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1 2297453051 NHTQAHOZVBYSNE-UHFFFAOYSA-N 496.304 4.332 10 10 JICE COc1ccc(N2CCN(c3ncnc(Nc4cccc5cccnc45)c3[N+](=O)[O-])CC2)cc1 40611166 YRXVWOPXIOXKGC-UHFFFAOYSA-N 457.494 4.012 10 10 JICE CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310969 FGITXPRNTPWCEQ-OAQYLSRUSA-N 479.042 4.089 10 10 JICE NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 1084519978 XUTNJBRGXSCGST-NDENLUEZSA-N 472.353 4.475 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5ccc6ccccc6c5n4)CC3)CC2)cc1 1858550850 KHECPUFWTRBYAP-UHFFFAOYSA-N 497.599 4.062 10 10 JICE COc1cc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 1858594061 JPVRQMJJMOCYKC-ACRNLXFHSA-N 485.587 4.347 10 10 JICE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)N(C)C)cc1 1858594308 UALHDARHJCSPOO-JZQBQCRLSA-N 458.605 4.217 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(N)=O)sc(C)c1-c1ccc(C)c(C)c1 1860768251 YHJFWVOYILXJPI-UHFFFAOYSA-N 485.587 4.173 10 10 JICE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012553 CXOUKDSBPMQFNX-QRQCRPRQSA-N 494.567 4.044 10 10 JICE Nc1ccc(Oc2ccc(NC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866023464 UXJJVNILIMEWPP-UHFFFAOYSA-N 466.291 4.058 10 10 JICE CCCN(CCC)c1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1866598334 GMJMIKOLVWOPPS-SFHVURJKSA-N 498.583 4.240 10 10 JICE CC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868721176 NWMPTHOFSKCMJZ-FTJBHMTQSA-N 495.664 4.386 10 10 JICE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)c4ccc(F)cc4)c3)C2=O)cc1 2293993190 VZYJGZBPGSHWAO-UHFFFAOYSA-N 458.445 4.274 10 10 JICE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 2296539274 KRWGYKPMDLUWLL-UHFFFAOYSA-N 451.573 4.043 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl 2297346214 MXFYYIYXICBNTN-UHFFFAOYSA-N 496.401 4.022 10 10 JICE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)O)[C@@H]1c1cc(Br)cc(Br)c1O 2308895554 SRZDZETZHDNWKF-GVLSTKRJSA-N 477.149 4.300 10 10 JICE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314831269 HGBTXSYLISOHOX-UHFFFAOYSA-N 487.559 4.319 10 10 JICE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 2314835276 COYCUGCUJYQZRU-UHFFFAOYSA-N 450.541 4.355 10 10 JICE CN1C(=O)COc2cc(N3C(=O)C(=Cc4ccccc4C(F)(F)F)SC3=S)ccc21 2321736650 IXBVXXOASUVHNX-UHFFFAOYSA-N 450.463 4.466 10 10 JICE CCOC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 40928300 YQDUXEYNCREEOL-RVDMUPIBSA-N 488.425 4.488 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)c1 54620979 XTONMYPLAKZORO-JOCHJYFZSA-N 457.486 4.419 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]23)cc1 59443011 BUTSCXPKCKVBGY-QQJYNPJZSA-N 465.505 4.247 10 10 JICE Cc1csc([C@H](C)NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n1 727669850 TXWHOXMIESPIKQ-NGPAHMQLSA-N 482.450 4.293 10 10 JICE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)[C@H]2C1 1638301666 PPCVGPSCZXIWHU-BULFRSBZSA-N 458.400 4.233 10 10 JICE COc1ccc(OC)c(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347240 DRVJCEPEUQFNGD-MUUNZHRXSA-N 496.567 4.444 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028385 SYVVJCWWJPZEHX-RCDICMHDSA-N 494.979 4.198 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029847 WLZKEWLOPKQTPE-UZUQRXQVSA-N 488.588 4.332 10 10 JICE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166224 HNRQRZUGOIGVOJ-UHFFFAOYSA-N 498.627 4.067 10 10 JICE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873169484 CAFONQGQYYATOF-UHFFFAOYSA-N 467.610 4.005 10 10 JICE COCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420441 OWDQIJDSEOIPSA-UHFFFAOYSA-N 474.517 4.231 10 10 JICE COC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873919152 LIYZDLHGJBNXSG-MHZLTWQESA-N 494.551 4.214 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 2293823870 PCEBHPIBLQAMAD-UHFFFAOYSA-N 460.924 4.268 10 10 JICE CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)cc1 2294204853 KPERDOZNBICUAQ-UHFFFAOYSA-N 460.511 4.347 10 10 JICE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c(C)c1 2294229379 OKAPAVWYXYZJLY-UHFFFAOYSA-N 464.474 4.012 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297352724 PSWYLVHWYFLXJW-UHFFFAOYSA-N 452.971 4.420 10 10 JICE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)C(=O)O 2314837059 NSHWSWRFSMGXOL-NSHDSACASA-N 475.419 4.344 10 10 JICE CCCC[C@@H](NC(=O)C=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330454039 OKTKSGBCJKIAOA-XMMPIXPASA-N 470.013 4.386 10 10 JICE C[C@@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15048713 CFDSSAQFKPUBJM-VYRTZCGHSA-N 464.568 4.172 10 10 JICE Cc1cccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3N[C@@H]2c2ccc(N(C)C)cc2)c1 39919765 ZWHCWMRIIPWVSB-DEOSSOPVSA-N 464.953 4.391 10 10 JICE O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/C=C\c1ccc([N+](=O)[O-])cc1 206400936 GECOJLGIEYVLGX-AKVOSGIGSA-N 452.511 4.078 10 10 JICE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705688935 ANRSXGDXPAGWRB-UHFFFAOYSA-N 467.415 4.409 10 10 JICE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705895697 PLTHZPIDNOMLFP-NDEPHWFRSA-N 490.652 4.296 10 10 JICE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3nc(O)[nH]c3c2)c(C)s1 1859573556 LYFAQYDYIBYYAG-UHFFFAOYSA-N 450.929 4.163 10 10 JICE CC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862121966 WEDXXTWIPZQNMI-AREMUKBSSA-N 471.601 4.071 10 10 JICE CCCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862247831 BKKOPFFFNNKQTA-GOSISDBHSA-N 450.004 4.048 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@H]2c1ccc(O)c(O)c1 1865026361 MIWRSNIMXCWKFH-QHCPKHFHSA-N 476.577 4.145 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865027619 ZVSYNTRSZAPLSG-QHCPKHFHSA-N 494.567 4.133 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028443 UZPRDJBBCYRTKY-RCDICMHDSA-N 494.979 4.198 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030237 GMGGLSCDAGEEQG-QHCPKHFHSA-N 490.604 4.256 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@@H]2c1ccc(O)c(O)c1 1865035256 PMWJQZZRNCEVPE-HSZRJFAPSA-N 490.604 4.399 10 10 JICE CCN(CC)c1cc(C)c2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866473425 UUNMHPUDPSWCJE-VWLOTQADSA-N 486.620 4.002 10 10 JICE CO[C@@H](C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951991853 CDWDSOSIQJHVKV-NSYGIPOTSA-N 477.513 4.037 10 10 JICE CC(C)(C[C@@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21)NC(=O)OC(C)(C)C 2194864729 UNXYSJKKXKWLBE-FQEVSTJZSA-N 476.662 4.485 10 10 JICE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCC)c1 2294094885 CBTZCXOLFTULTJ-UHFFFAOYSA-N 473.323 4.221 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2294400627 XVVUUYCPHOTICT-UHFFFAOYSA-N 454.236 4.079 10 10 JICE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296545960 DAHMFJDCPUTZAC-UHFFFAOYSA-N 468.579 4.303 10 10 JICE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2314414164 RDTYPFLESUSFEN-OAHLLOKOSA-N 450.589 4.397 10 10 JICE CCN(CC)c1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)cc1 4030398 BBMMRDYKQOPKGC-NRFANRHFSA-N 483.041 4.466 10 10 JICE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl 33448714 WNPQPOYMQGEJHI-RGEXLXHISA-N 494.931 4.276 10 10 JICE O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808717 NNXWXIWWGIUBJT-QGOAFFKASA-N 450.545 4.000 10 10 JICE N=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103614621 SYJOOUPQIXDWKI-HGEMSSTASA-N 491.548 4.036 10 10 JICE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 104710967 YAFJALPCFAFZCM-XQNSMLJCSA-N 497.530 4.376 10 10 JICE C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1c(S)nnc1-c1cccs1 110173601 ZVPGWEQBYHHUBX-CYBMUJFWSA-N 497.568 4.028 10 10 JICE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731402349 XNRMBYMUVJMBEW-QHCPKHFHSA-N 471.623 4.294 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccccc1 1860652117 UCSUKTSXDKJZHP-RTBURBONSA-N 470.591 4.256 10 10 JICE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028653 XIOKOTRFXRJIJK-XVTZWQNCSA-N 488.588 4.099 10 10 JICE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867947693 UVNIWXSJHXXXLA-SZPZYZBQSA-N 473.621 4.016 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680269 IMMZZJBTEIDTIN-RLWLMLJZSA-N 463.622 4.049 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3ccccc3)C2=O)cc1 1873167416 GNVPNMMJDLFQJO-UHFFFAOYSA-N 484.644 4.348 10 10 JICE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccccc3C(C)C)CC2)cc1 1873536733 VNFIMGXPABHZLZ-UHFFFAOYSA-N 455.562 4.239 10 10 JICE Cc1cc2c(O)nc(CSCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc2s1 1874016543 FXYDJHNVRLVQMR-UHFFFAOYSA-N 475.551 4.353 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1892140926 ZLWNZYAHHUGJHX-URXFXBBRSA-N 493.604 4.223 10 10 JICE CN(C)c1ccc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2130838467 FYTORVUATCGXDX-UHFFFAOYSA-N 452.643 4.402 10 10 JICE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 2294095322 PQPWUETYVDHZLP-UHFFFAOYSA-N 461.430 4.147 10 10 JICE N=C1C(=Cc2ccc(-c3ccccc3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 2297345953 QWODTNOGLPMHKR-UHFFFAOYSA-N 476.539 4.138 10 10 JICE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297467863 LBNKUNUMFAIHRG-UHFFFAOYSA-N 495.008 4.379 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2313558573 DWQDJLIPPHHUBL-UHFFFAOYSA-N 471.853 4.479 10 10 JICE COC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2097259 MJBLKYUMNOJEHV-CYXNTTPDSA-N 495.531 4.310 10 10 JICE biogenic CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Br)ccc2O)[C@@H]2CC=C[C@@H]32)CC1 20696195 LJBBJQZNXOFFKN-XAEMIUIASA-N 468.395 4.369 10 10 JICE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=N)N21 96460635 XAJNARYGYVYZKM-BQLOJNAPSA-N 476.967 4.247 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226632679 XCTZBKXSXSHYCO-IMWIBFENSA-N 450.535 4.011 10 10 JICE CN(C)S(=O)(=O)N(Cc1cccc2ccccc12)c1cccc2c1C(=O)c1ccccc1C2=O 586234737 WCXXMFLCZLBVFW-UHFFFAOYSA-N 470.550 4.428 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(-c4ccccc4Cl)n3)cc2)CC1 1466882225 ISJBUVFJKDJWHK-UHFFFAOYSA-N 454.983 4.062 10 10 JICE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCSc1nccs1 1705574863 PQYMJWPUBGTFNP-UHFFFAOYSA-N 472.437 4.419 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3cccc(Cl)c3)sc2CCC(=O)O)cc1 1858035099 PNFVKEGYVYFEQC-UHFFFAOYSA-N 452.941 4.290 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccs3)CC2)cc1 1862035883 QYDLKJQHDLAAJB-HSZRJFAPSA-N 495.670 4.137 10 10 JICE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(N)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866101897 LXCPQOQJIMIZNQ-UHFFFAOYSA-N 451.548 4.078 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CSCN2)sc(C)c1-c1ccc(Br)cc1 1866107601 YERYOZWQAYIEFZ-CYBMUJFWSA-N 455.399 4.264 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245756 NAICGOYOEUCVGO-LJQANCHMSA-N 480.012 4.357 10 10 JICE CCN(CC)CCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164216 RDSWYGYVQAQVLN-UHFFFAOYSA-N 485.632 4.091 10 10 JICE CCn1c(C(=O)NCCC2=CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873571535 RVRRKGYLFLUIEN-UHFFFAOYSA-N 488.636 4.407 10 10 JICE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H](CN)c1ccn(Cc2ccccc2)n1 2199615809 PSINMYBCLFSXIW-VWLOTQADSA-N 461.610 4.409 10 10 JICE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 2294093709 HGPVKYZBJGYGRQ-UHFFFAOYSA-N 450.834 4.273 10 10 JICE CCCCN1C(=O)C(=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296731275 KTHKHHNROTZUBX-UHFFFAOYSA-N 467.572 4.497 10 10 JICE O=C1/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 1103618 NSHXKNKAVFRJHR-COYFKBPASA-N 481.624 4.226 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H]3CCc4sc(NC(=O)c5ccc(C)cc5)nc43)CC2)cc1 8979777 FYECXSDEPYGBJS-OAQYLSRUSA-N 476.602 4.091 10 10 JICE CN(C)c1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 18484109 BNZGYCFDHUGCLH-UHFFFAOYSA-N 490.654 4.410 10 10 JICE O=C1N=C(O)/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc(Br)cc1 35302232 DCOLBYPUVMAHOM-LFYBBSHMSA-N 494.095 4.447 10 10 JICE Cc1ccccc1-n1c(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1C 105323725 IMJILTYAPPFKOH-UHFFFAOYSA-N 453.564 4.145 10 10 JICE COc1cccc(CNc2cc(I)cc(I)c2)c1O 690409818 QCZDKWDWPHMVSJ-UHFFFAOYSA-N 481.071 4.222 10 10 JICE COc1cc(C2N(c3ccc4c(c3)OCO4)CCN2c2ccc3c(c2)OCO3)cc(OC)c1OC 1615949714 PZRFPOQEOFBIGQ-UHFFFAOYSA-N 478.501 4.195 10 10 JICE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)CC1 1741010253 GUEPLAAIZISGPF-UHFFFAOYSA-N 478.641 4.225 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5cccc(OC)c5)cc4n3)CC2)cc1 1858148972 QCYDLSDSTCCHLQ-UHFFFAOYSA-N 483.572 4.253 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 1862169940 CVBNVYDZMHJWMY-RUZDIDTESA-N 493.648 4.020 10 10 JICE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1F 1862313160 KKTICIVWVNDNBN-UHFFFAOYSA-N 450.558 4.384 10 10 JICE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026780 AFOGEEQZOSLCAX-DEOSSOPVSA-N 490.604 4.303 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccccc4OC)cc3)CC2)cc1 1874739593 MXYXQGYESYLNOQ-UHFFFAOYSA-N 488.584 4.247 10 10 JICE O=C(N[C@@H]1C(F)(F)C12CC(NCc1ccc(Br)cc1O)C2)OCc1ccccc1 2142145965 NNVWWVYPEQMOMB-IPCDKGFNSA-N 467.310 4.337 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CCN(Cc2ccccc2)CC1 2225793677 ZAGRCZBMEFWGFW-PMACEKPBSA-N 456.591 4.284 10 10 JICE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2297334425 CRMPHWFUQPLHCH-UHFFFAOYSA-N 477.860 4.494 10 10 JICE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 2297335292 FNBHKGVZFWOPFM-UHFFFAOYSA-N 458.514 4.231 10 10 JICE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314716852 VEDWKRKKCAFQRT-UHFFFAOYSA-N 484.342 4.213 10 10 JICE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105279 PDVKAFUUNRKZLF-UHFFFAOYSA-N 497.595 4.236 10 10 JICE COCCCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)n[nH]c1=O 24794311 WKFKHQQMJXFRNN-UHFFFAOYSA-N 493.427 4.061 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3ccc(I)o3)SC2=S)cc1 33316943 MVDAOXXBZIEKRU-MDWZMJQESA-N 457.314 4.294 10 10 JICE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c(OS(=O)(=O)CC)c1 36009029 SMEBGALJEWAAAT-NRFANRHFSA-N 492.613 4.222 10 10 JICE CCOC(=O)c1c(C)sc(-c2c(-c3ccc4ccccc4c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076742 PZXHLCZUKOEOHK-UHFFFAOYSA-N 489.553 4.305 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 208733527 YXRWUFOUGUQYDJ-CHHVJCJISA-N 460.740 4.415 10 10 JICE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C(=O)OC)cc2)[C@H]1c1ccc(O)c(O)c1 526353621 DMZPDTGKTBUZKL-QHCPKHFHSA-N 491.496 4.349 10 10 JICE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(F)ccc(SCC4CC4)c3F)cc2)CC1 1296398744 CLBSARGZTNULKY-UHFFFAOYSA-N 459.562 4.065 10 10 JICE O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860567623 DNFFPPOQDCGUBZ-BUHFOSPRSA-N 463.449 4.354 10 10 JICE CC[C@](C)(NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862215323 GNTFYOKDGKGRKL-PIKZIKFNSA-N 481.637 4.220 10 10 JICE CCCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546435 OXRCQQKLAQQOOL-UHFFFAOYSA-N 478.641 4.439 10 10 JICE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2c[nH]nc2c1 1873888225 IZBDLQARNUHFJG-UHFFFAOYSA-N 460.497 4.089 10 10 JICE COc1ccc(N2CCN(C(=O)c3cc(Br)c(C)c(Br)c3)CC2)cc1 1891693533 BFGOEZMRGMDSRI-UHFFFAOYSA-N 468.189 4.491 10 10 JICE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OCc4ccccc4)CC3)ccc(N)c2C1 1999525528 NKXXAOOGDQTEGE-UHFFFAOYSA-N 466.582 4.021 10 10 JICE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079952511 JLARNTZCRVGCAT-QGZVFWFLSA-N 467.351 4.422 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2294229243 AKHWPJYWHAXCOV-UHFFFAOYSA-N 471.853 4.479 10 10 JICE CCc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2296881736 YIPZIGIXNVQXOI-UHFFFAOYSA-N 457.533 4.093 10 10 JICE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C(=O)N=C2S1 2297334398 OXFSQHFCHSMMJX-UHFFFAOYSA-N 498.586 4.272 10 10 JICE CCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OC)C2=O)c2cc(Br)ccc21 2314754568 VUHDRQADSXFEGW-UHFFFAOYSA-N 497.436 4.120 10 10 JICE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/NCCc1ccc(Cl)cc1 23324611 MSWUTRDQNWTQTB-GXDHUFHOSA-N 454.766 4.111 10 10 JICE CCN(CC)CCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 23426302 LOBRCEQEQMXMDA-UHFFFAOYSA-N 475.637 4.032 10 10 JICE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 33553287 JNNKZPBLTOENIY-TWQQJCIXSA-N 480.615 4.024 10 10 JICE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990319 BZQVJJHRNWLMCW-RGEXLXHISA-N 458.653 4.430 10 10 JICE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 40317933 WCAMNGZDCQBUKT-LEWJYISDSA-N 453.410 4.480 10 10 JICE Oc1c(CNc2cc(I)cc(I)c2)ccc(F)c1F 703258978 LLGPEZJHVVOROO-UHFFFAOYSA-N 487.025 4.492 10 10 JICE Nc1ccc(Cc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc2)cc1 1866278099 DPVMDDCXLHDJJB-JOCHJYFZSA-N 454.574 4.451 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(CCN(C)C)C2=O)cc1 1873421364 TZSOICWNDXTDQQ-UHFFFAOYSA-N 482.506 4.265 10 10 JICE O=C(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017766 VMYGNACMPYJDFB-UHFFFAOYSA-N 477.520 4.247 10 10 JICE CN1CCCc2cc([C@@H](O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917165805 ZEVZEZFNGPPKIQ-CLJLJLNGSA-N 472.541 4.094 10 10 JICE CCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2C 2106859185 GIVKDWTUSNYJBN-XMMPIXPASA-N 452.643 4.356 10 10 JICE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 2293665881 YXSYLEYWDOQPDA-UHFFFAOYSA-N 466.494 4.329 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3ccc(O)c(I)c3)SC2=S)cc1 2297349614 GBEDNGHFDJWHIQ-UHFFFAOYSA-N 483.352 4.407 10 10 JICE COc1ccc(-c2nonc2NC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c(C)c1 2314829347 ZSWXMHCTWWHJCT-UHFFFAOYSA-N 484.534 4.033 10 10 JICE O=C(O)COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O 2314930766 IZSBJABYWGBSIJ-UHFFFAOYSA-N 483.354 4.003 10 10 JICE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CC=C[C@H]32)CC1 14473107 KRIWCRHDUFGXDZ-JTUHZDRVSA-N 452.942 4.462 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 15034558 DHPLHMWYKDPIHA-VQIMKDEXSA-N 490.990 4.340 10 10 JICE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4c(C)cc(C)cc4C)n3)CC2)cc1 33309910 YIFBJXBQCBFLCV-UHFFFAOYSA-N 477.634 4.468 10 10 JICE COC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1OC 33417577 SYKBYTXZKVXDBX-WQLSENKSSA-N 495.340 4.225 10 10 JICE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)[C@@H]2CCS(=O)(=O)C2)cc1 39882997 YWMKINLGJKUFHI-HSZRJFAPSA-N 476.598 4.410 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 59861576 SVRNJQVQVGERJB-QJOMJCCJSA-N 470.525 4.369 10 10 JICE CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)N(CC(=O)OC)C2=S)cc1 109642284 IOGWBLKRWNEBKJ-XQNSMLJCSA-N 479.602 4.142 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3F)nc12 213189971 POQJNSVDPVLNJW-CCRNYGKSSA-N 497.573 4.315 10 10 JICE Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1-c1ccc(C(F)(F)F)cn1 248089894 FJAMGVLZJAXXPE-NRFANRHFSA-N 487.526 4.482 10 10 JICE O=C(NC[C@H]1CCCO1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586615250 SLDQMWVBOUMBQT-GOSISDBHSA-N 469.497 4.015 10 10 JICE CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)c1O 1654132930 IMZTXNXLFPJFNU-NBHGPNQESA-N 450.551 4.018 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(F)c(C)c3)sc2CCC(=O)O)cc1 1858034928 KOOURSIPDMLEFE-UHFFFAOYSA-N 450.513 4.084 10 10 JICE CCNC(=S)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858912331 IPAISRAPFAPZJS-UHFFFAOYSA-N 459.527 4.057 10 10 JICE O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859466280 MSXZXDHHQHZNKP-UHFFFAOYSA-N 453.281 4.137 10 10 JICE CN1CCCc2cc([C@H](O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917165806 ZEVZEZFNGPPKIQ-FTJBHMTQSA-N 472.541 4.094 10 10 JICE CC(C)(c1ccc(O)c(O)c1O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952601574 KYIQFIUQGWZKQT-QHCPKHFHSA-N 463.486 4.073 10 10 JICE COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2=Cc1ccc(N2CCOCC2)cc1 2040446512 JCVPSZVOKHMTIF-UHFFFAOYSA-N 470.525 4.268 10 10 JICE CC(C)(C)OC(=O)N1CC[C@](CNCc2cc(Br)ccc2O)(C(F)(F)F)C1 2167666743 ARGVETZMMKFIQH-QGZVFWFLSA-N 453.299 4.434 10 10 JICE COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 2294229310 JAEHIOKHCKMQGG-UHFFFAOYSA-N 482.359 4.080 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1OCCC(=O)O 2314933622 BYFMGJSXADORGG-UHFFFAOYSA-N 459.545 4.353 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2314934798 KCTLBECEEDFFBL-UHFFFAOYSA-N 495.485 4.132 10 10 JICE COc1ccc(CC(=O)n2nc(-c3ccco3)nc2NCc2ccc(N(C)C)cc2)cc1OC 14610815 KKXDPXMAAVBLFF-UHFFFAOYSA-N 461.522 4.116 10 10 JICE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C(=O)N=C2S1 20207561 UUKOCJVDRLICMU-NHOPXOSBSA-N 490.566 4.040 10 10 JICE CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 39920749 ZFBDTBMSVDVVBA-QHCPKHFHSA-N 450.926 4.083 10 10 JICE O=C(C1=CN(c2ccc(Br)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 65096306 OZANBKJJZSAKRP-UHFFFAOYSA-N 465.344 4.368 10 10 JICE COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)CCCN=[N+]=[N-])cc1 197117127 FGDSGZGAXYHSMY-XZOQPEGZSA-N 483.594 4.439 10 10 JICE O=C(Nc1cccc(N2CCOCC2)c1)c1cc(I)cc(C(F)(F)F)c1 727996487 VGWQYFDGTUFEIW-UHFFFAOYSA-N 476.236 4.399 10 10 JICE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019966 SLAZUFYIXHPIGN-RBZFPXEDSA-N 482.968 4.109 10 10 JICE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865033134 SOIBVCXJQMHPFA-HSZRJFAPSA-N 488.588 4.107 10 10 JICE CC(C)Cc1nc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccn12 1866863787 CFTBNQNFYJKOCW-KRWDZBQOSA-N 494.551 4.065 10 10 JICE CCCC[C@H](NC(=O)C[C@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867254909 VGZBODNMUFOACZ-VGSWGCGISA-N 462.546 4.035 10 10 JICE CCOc1ccc(C(=O)N[C@@H](CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537772 NFLFFABZLGIELG-IZZNHLLZSA-N 480.653 4.003 10 10 JICE CN(C)Cc1cc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 1952276574 LRUGEGIUAMVUDH-MUUNZHRXSA-N 474.557 4.378 10 10 JICE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 2294259050 DPICWDAYTMOSAI-UHFFFAOYSA-N 450.466 4.375 10 10 JICE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 2297334417 KKJLKRUUAMOOLQ-UHFFFAOYSA-N 493.859 4.199 10 10 JICE CC[C@H](C)N1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650500 KNLRCPOJLNKZIM-HNNXBMFYSA-N 468.648 4.245 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1)C(=O)O 2314929075 GTICOYHTVGQYBU-MRXNPFEDSA-N 476.963 4.128 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 2314930102 XPHQPUFFXQYWAD-MRXNPFEDSA-N 476.963 4.128 10 10 JICE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O)C(=O)O 2314933068 SANXGYQCWZCDCX-OAHLLOKOSA-N 476.963 4.128 10 10 JICE COc1cc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 1202136 BKZGLGWSLLCQHV-HAHDFKILSA-N 489.572 4.496 10 10 JICE CCCCN1CCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(OC)c3)ccc21 20731866 BXQWILYXOJFKJT-UHFFFAOYSA-N 482.694 4.389 10 10 JICE CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCC(C(=O)OCC)CC4)=NC3=O)o2)cc1 34982764 KERDUGNSOUXVTN-QNGOZBTKSA-N 482.558 4.369 10 10 JICE COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 40940642 FKDODNVCKMUCLN-MHWRWJLKSA-N 463.378 4.312 10 10 JICE COc1cccc(C2=NN(C(=O)COc3cccc(C=O)c3)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413221 JFTIRRZJFIXYDC-SANMLTNESA-N 457.530 4.330 10 10 JICE CCOC(=O)c1oc2c(CN3CCCOC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 94993428 QRXYUINPOJHTAB-UHFFFAOYSA-N 488.334 4.285 10 10 JICE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 103395581 WSJKTGJDXPXOEY-HMAPJEAMSA-N 457.442 4.149 10 10 JICE Cc1sc2ncn(CCC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)c(=O)c2c1C 728839468 PFGCFIDLENTHLR-UHFFFAOYSA-N 466.529 4.122 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016002 HEGDJIFBEOLROF-NRFANRHFSA-N 474.561 4.125 10 10 JICE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498121 CQEFQBKIYIKRLO-UHFFFAOYSA-N 464.616 4.269 10 10 JICE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079987245 WKXAJPALRCYZGA-QGZVFWFLSA-N 472.323 4.357 10 10 JICE CSc1ncc(CNC(=O)c2ccc(Br)cc2I)s1 2269286157 WKWQVDCCHPCNKG-UHFFFAOYSA-N 469.167 4.162 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N1CCN(c2ccccc2)CC1 2296754848 IPGUESVFTCREPO-UHFFFAOYSA-N 472.035 4.280 10 10 JICE COc1ccccc1N1C(=O)C(=C2C(=O)N(CN3CCCCC3)c3ccccc32)SC1=S 2313621514 OFHCMYRIVXBHPI-UHFFFAOYSA-N 465.600 4.261 10 10 JICE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837357 RFGBZYAFVZSBCR-ZDUSSCGKSA-N 461.406 4.355 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC)C(=O)O 2314932258 LICXGDMPACOPKM-KRWDZBQOSA-N 486.571 4.301 10 10 JICE O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1 20060216 MRJIAYAOKOGDKM-NJDAHSKKSA-N 465.303 4.206 10 10 JICE CCN(CC)c1ccc([C@H]2N(C(=O)C(F)(F)F)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 36059947 YBAJZEIEQTUPJF-LAUBAEHRSA-N 483.556 4.324 10 10 JICE O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 40324097 KMBIWRBXQRUFAF-JXAWBTAJSA-N 499.017 4.340 10 10 JICE CCOC(=O)c1c(COc2ccncc2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393677 VWDOFUMTIDQHIG-UHFFFAOYSA-N 460.534 4.158 10 10 JICE Cn1ccnc1[C@](O)(CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 105569969 GNTKTXKYIFGSKK-LADGPHEKSA-N 469.463 4.325 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)NCCCOC(C)C)sc(C)c1-c1ccc(Cl)cc1 1860758101 AVDPALFTSSAABD-UHFFFAOYSA-N 466.987 4.423 10 10 JICE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028446 VDAAROKGLJAHQA-PEBXRYMYSA-N 494.979 4.341 10 10 JICE CC(=O)NCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422018 BQIUOQXMDPFSML-UHFFFAOYSA-N 494.954 4.215 10 10 JICE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC 1873581688 XDIYMJURLHVHQU-UHFFFAOYSA-N 478.641 4.487 10 10 JICE CCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650234 MULCVMBPIWWDFE-UHFFFAOYSA-N 456.550 4.039 10 10 JICE CN(C)c1ccc([C@](C)(O)[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2058200431 WDDBXMPLWVFSTR-IZLXSDGUSA-N 474.557 4.342 10 10 JICE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(N)c2I)c(O)c1 2079849136 SHHYROPXWHDOOH-MRXNPFEDSA-N 455.340 4.471 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080030381 LWVSXBRHAURZSR-MRXNPFEDSA-N 482.318 4.341 10 10 JICE CC(C)(C)OC(=O)N1CC[C@@](CNCc2cc(Br)ccc2O)(C(F)(F)F)C1 2167666742 ARGVETZMMKFIQH-KRWDZBQOSA-N 453.299 4.434 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)cc(Br)c2O)OCC12CC2 2185701458 YKUYOJZBHJKAIX-AWEZNQCLSA-N 461.784 4.066 10 10 JICE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296541893 DVEYTLPDKSWGIG-IAGOWNOFSA-N 494.642 4.480 10 10 JICE Cc1cc(C(=O)COc2c(Cl)cccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 21463524 WJMDOLHUUAZMRJ-UHFFFAOYSA-N 453.347 4.310 10 10 JICE CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54310837 VWQMHTSSQDLVON-YDYPUGOESA-N 461.027 4.415 10 10 JICE COc1ccc(CCC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694696 QZXMXODPCCVGOK-UHFFFAOYSA-N 477.580 4.202 10 10 JICE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1858590616 AWTRPXMLIPMCJG-XMHGGMMESA-N 460.646 4.075 10 10 JICE O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865917614 VPTHCOBJYIFIJF-UHFFFAOYSA-N 465.461 4.075 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C(C)=C/c3cccc(Cl)c3)C(C)C)CC2)cc1 1868747696 WNYJGSDCWBWZSR-LULQDDRCSA-N 470.013 4.242 10 10 JICE CCN1CCc2cc([C@@H](NC)[C@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2163123290 KAHHSMZABVJCLF-NAKRPHOHSA-N 464.654 4.499 10 10 JICE COCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2296705019 GAQXHNDAXMBTFW-UHFFFAOYSA-N 458.992 4.495 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1O 2297350244 MACJKKBRUHHLDU-UHFFFAOYSA-N 478.888 4.300 10 10 JICE N=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297467658 BLAMCRKEBGNCCX-UHFFFAOYSA-N 467.938 4.232 10 10 JICE NS(=O)(=O)c1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 2313653401 XUTNJBRGXSCGST-UHFFFAOYSA-N 472.353 4.475 10 10 JICE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCC(C)C)C1=O 34377809 FSTIPLHBOYQNSE-NBVRZTHBSA-N 474.652 4.089 10 10 JICE CCOC(=O)c1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 40859624 FQEHGGVACAPYCQ-WQRHYEAKSA-N 459.545 4.295 10 10 JICE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 57015872 CDBIFHALWAKBEW-NIYFSFCBSA-N 495.645 4.456 10 10 JICE CCOC(=O)C1CCN(C(=O)c2ncoc2-c2ccccc2C(=O)N(CC)c2ccccc2)CC1 65080265 VBXPLZOIAUKYGL-UHFFFAOYSA-N 475.545 4.424 10 10 JICE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 97492222 SLLSVJQVWMEETP-XNUZKYAUSA-N 499.552 4.215 10 10 JICE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526601244 ADGFOQBAYQZYNP-HSZRJFAPSA-N 489.480 4.037 10 10 JICE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 727974791 BRDSMFQIYUWWRK-AWEZNQCLSA-N 465.531 4.036 10 10 JICE CCCCNC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 915223209 CLIUPMIPFSVPFO-QHCPKHFHSA-N 461.566 4.362 10 10 JICE COc1ccc(-c2nc(NS(=O)(=O)c3cc(C)c(C)cc3OC)sc2CCC(=O)O)cc1 1858034708 CKKFFDYWUGRKEU-UHFFFAOYSA-N 476.576 4.262 10 10 JICE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC(C)C)cc4)cn3)CC2)cc1 1858437233 ZVYVZMKDLYGCIQ-UHFFFAOYSA-N 482.606 4.005 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029902 YBHMFMGMLARYSG-SBUREZEXSA-N 488.588 4.189 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033509 BFAZWYUCCQJNGS-QGZVFWFLSA-N 494.514 4.209 10 10 JICE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O 1865767329 UAPFABQHNPIBTC-GOSISDBHSA-N 452.510 4.324 10 10 JICE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3Cl)CC2)n1 1867956529 IORBHIKVRPDBTD-UHFFFAOYSA-N 493.055 4.354 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(F)c4)n(C(C)(C)C)n3)CC2)cc1 1869970700 NYMXZXNFVAEYFB-MDWZMJQESA-N 478.572 4.159 10 10 JICE COc1ccc(N2CCN(c3nc(Nc4ccc(Br)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871300860 GPBAVTMYUDLZPF-UHFFFAOYSA-N 485.342 4.226 10 10 JICE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079013702 PFHOIBAGOARQLA-INIZCTEOSA-N 465.335 4.042 10 10 JICE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080011950 HZGLXTRABQHMEN-QGZVFWFLSA-N 470.307 4.413 10 10 JICE CCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541926 NZOSLJZTDWCHRR-HOTGVXAUSA-N 456.637 4.096 10 10 JICE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1OC 16929603 GEMHJZMBIUAZBE-UNOMPAQXSA-N 458.561 4.126 10 10 JICE COc1ccc(OCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 96544408 XHSWOQDSIHNZMW-ULJHMMPZSA-N 453.498 4.190 10 10 JICE CC(=O)Nc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)cc2)cc1 104602299 TYALWNPZTJYEHU-SLZANHLLSA-N 462.531 4.270 10 10 JICE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(-c4nc(C)cs4)cc3)CC2)cc1 726078260 FTWFKBRKJVBGST-UHFFFAOYSA-N 451.596 4.071 10 10 JICE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1C[C@@H](c1ccccc1)N1CCCC1 1858593892 CDMNFSACDWYTDB-OMNSNBSWSA-N 452.601 4.496 10 10 JICE CC(C)C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466297 NQXAYFOQKISBPQ-QFIPXVFZSA-N 466.493 4.111 10 10 JICE COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860552187 UNFKBOGQOBKCCE-UHFFFAOYSA-N 477.476 4.370 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873166375 NXFUWAKUIUPMRR-UHFFFAOYSA-N 477.008 4.179 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C3CC3)C2=O)cc1 1873169082 YDTSASHROSQVDL-UHFFFAOYSA-N 451.530 4.003 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873169913 HVLZXAWOCHKXAT-KBMIEXCESA-N 474.649 4.437 10 10 JICE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421415 WIMYVAAKCRVPJY-UHFFFAOYSA-N 499.615 4.196 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4ccccc4)cc3)CC2)cc1 1874743965 PDJAIKKNVOJSQJ-UHFFFAOYSA-N 474.557 4.075 10 10 JICE COc1ccc(C(C)=O)cc1CC(=O)NCCN1C(=O)SC(=Cc2ccc(SC)cc2)C1=O 2040698739 LSWZTBCJYRGBEE-UHFFFAOYSA-N 484.599 4.015 10 10 JICE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CCN(Cc2ccccc2)CC1 2225793680 ZAGRCZBMEFWGFW-WOJBJXKFSA-N 456.591 4.284 10 10 JICE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1O 2293763619 WFZDZGXEWJRPPK-UHFFFAOYSA-N 481.755 4.038 10 10 JICE Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 2294229307 IQQZAEYFBYWUFF-UHFFFAOYSA-N 494.576 4.420 10 10 JICE CCN(CC)c1ccc(CN(C(=O)C=Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2296849738 KCJANJYNEUPMRD-HSZRJFAPSA-N 461.027 4.415 10 10 JICE CCCC1=NN2C(=N)C(=Cc3cc([N+](=O)[O-])ccc3OCCOc3ccccc3)C(=O)N=C2S1 2297307180 WYMXYPIQHTWBJH-UHFFFAOYSA-N 479.518 4.472 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 2314913638 KMBIWRBXQRUFAF-UHFFFAOYSA-N 499.017 4.340 10 10 JICE O=C(CSc1cc(I)ccc1Br)c1ccc(O)c(O)c1 2363645728 MJDFZVFAMKQJHI-UHFFFAOYSA-N 465.106 4.440 10 10 JICE COc1ccc(N2CCN(c3nc4cc(OC)c(OC)cc4c4nc(-c5ccccc5)nn34)CC2)cc1 9831139 LWUVOXGPFVBDDP-UHFFFAOYSA-N 496.571 4.297 10 10 JICE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15040575 DECAPJHUOGUCJP-PGMHBOJBSA-N 498.626 4.228 10 10 JICE COc1cccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c1 102465363 GRFMXJOFLOTHNK-NHOPXOSBSA-N 464.547 4.428 10 10 JICE CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)c1ccc(F)c(F)c1 108674191 LZKOHSLREAXFHZ-FQEVSTJZSA-N 476.321 4.352 10 10 JICE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 226858462 VWVBPTFXXFZMDU-RBODFLQRSA-N 454.592 4.369 10 10 JICE CN(Cc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347358 KYGRTTLVEDWZIT-MUUNZHRXSA-N 464.569 4.447 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032797 KUMPPQLNYAICSJ-QQMNAOGKSA-N 488.588 4.045 10 10 JICE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865894196 RSDQEHRSZSSRJO-KBMIEXCESA-N 476.621 4.104 10 10 JICE CCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168294 QBVAKYUKGPWJKK-UHFFFAOYSA-N 459.594 4.241 10 10 JICE COCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420459 MMVHSPUXKDMCQL-UHFFFAOYSA-N 469.463 4.350 10 10 JICE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3F)ncnc21 1875200764 HGUUWRVJKLPJGU-UHFFFAOYSA-N 488.567 4.173 10 10 JICE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OC(C)(C)C 1885168142 AHLMZDVBGIDWQU-QGZVFWFLSA-N 460.619 4.398 10 10 JICE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1891785018 FOWHHIKUFXAMLC-CVDCTZTESA-N 488.053 4.046 10 10 JICE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)c1 2294133715 CGDGCGQLILWYPY-UHFFFAOYSA-N 494.139 4.200 10 10 JICE O=C1C(=Cc2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1nccs1 2296244725 TUMIXMIHYLNIEH-UHFFFAOYSA-N 454.305 4.469 10 10 JICE O=C(COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1 2297109523 ARXKZHWFGPARAF-UHFFFAOYSA-N 475.888 4.024 10 10 JICE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c(OC)c1 2297334811 FVOBXJXUWHOQSM-UHFFFAOYSA-N 454.788 4.042 10 10 JICE CC(C)C[C@@H](NC(=O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1)C(=O)O 2297580241 JXIKKORIONZLLT-GOSISDBHSA-N 454.573 4.322 10 10 JICE CCC[C@H](NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330393121 ZGZCVHWWNPVJPJ-SANMLTNESA-N 463.622 4.466 10 10 JICE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCC(=O)O 16915656 JQBZIVNCBDYYBT-XDHOZWIPSA-N 459.545 4.353 10 10 JICE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(OC)c1 20236515 CUURAIAKUBOVGJ-PPTQLFOTSA-N 477.517 4.392 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccccc2)cc1 39920674 UEIQWASJWDQISI-HSZRJFAPSA-N 495.377 4.192 10 10 JICE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989578 GIOVENRXZAQXEQ-VIZFDEMNSA-N 482.631 4.042 10 10 JICE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39989751 OSAQVDPBGUCIMF-ROUUFQIDSA-N 458.653 4.140 10 10 JICE CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892707 FOQAIJDGSDHZPM-UHFFFAOYSA-N 497.503 4.464 10 10 JICE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc(-c5ccc(F)cc5)cc34)C2)cc1 64958753 VYVONJOAWVNDEA-OAQYLSRUSA-N 472.568 4.134 10 10 JICE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 96460165 IZJVFNNPEOGOLX-RKQIHDTFSA-N 496.401 4.022 10 10 JICE CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C(O)=NC2=S)c1 96850680 GBCGNCPEPUBNOR-ZHZULCJRSA-N 461.499 4.246 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1 104674110 XRRMEVNLQKSKQJ-XMMPIXPASA-N 451.611 4.096 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 207317215 PUKRDGLKRLWZGE-WOJGMQOQSA-N 480.571 4.202 10 10 JICE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c(OC)c1 1084650472 ZBKVTPITVQJHTO-WQRHYEAKSA-N 493.497 4.012 10 10 JICE COCCN(Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCC3)C[C@H]1CCCN2CCCC[C@@H]12 1565519799 HQLHZKMUJHOTSC-HXOBKFHXSA-N 475.029 4.354 10 10 JICE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018841 RVMHKIDVNVHPKO-OAQYLSRUSA-N 496.995 4.025 10 10 JICE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028383 SYVVJCWWJPZEHX-JLCFBVMHSA-N 494.979 4.198 10 10 JICE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1865031391 FUJOBVXZNCSCEL-KKSFZXQISA-N 474.561 4.077 10 10 JICE CC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868721177 NWMPTHOFSKCMJZ-IZZNHLLZSA-N 495.664 4.386 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1Cl 2296397897 GDWDHEVHOIOGMD-UHFFFAOYSA-N 479.920 4.431 10 10 JICE COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 6674010 HMRPTSAPZBMDFC-YBFXNURJSA-N 456.545 4.044 10 10 JICE COc1cccc([C@H]2Nc3ccccc3-n3c(-c4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 21659053 FRZOICPWIMOTMD-HSZRJFAPSA-N 494.551 4.232 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N([C@@H](C)Cc4ccccc4)C(=O)[C@H]23)cc1 105512862 VKMJEKAVLRDRSA-PAWHMVCQSA-N 479.532 4.117 10 10 JICE O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NCc1ccc(N2CCOCC2)cc1 108877011 GXVOTAWLMOYJPN-XBXARRHUSA-N 454.420 4.056 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)ccc1OCCC(=O)O 210463971 BUTVAPMPEQIQJB-UNOMPAQXSA-N 459.545 4.353 10 10 JICE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007215 HVCNMWGOTFWGNM-LJQANCHMSA-N 489.359 4.120 10 10 JICE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864020633 FAMXGVICUWJDNA-NRFANRHFSA-N 496.995 4.177 10 10 JICE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C1CCCCC1)C1CCCCC1)=C(N)O2 1865027913 NMHJNMZQJMLEDA-QHCPKHFHSA-N 480.609 4.328 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028468 VQIQLNFACVFXRR-PEBXRYMYSA-N 494.979 4.341 10 10 JICE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028658 XKICMXLQNOJWOX-JOCHJYFZSA-N 494.979 4.198 10 10 JICE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029903 YBHMFMGMLARYSG-UZUQRXQVSA-N 488.588 4.189 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)C(C)C)CC2)cc1 1868869375 TZJYWVXSGYPJQS-LOSJGSFVSA-N 484.040 4.332 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](C)c3cccc(Cl)c3)C(C)C)CC2)cc1 1868996079 ZGJHFIFVLQCWJJ-KBMIEXCESA-N 472.029 4.332 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@@H](Cc5ccccc5)COCC4(C)C)nc(C)n3)CC2)cc1 1869282110 AODNJPDPBWJSAW-VWLOTQADSA-N 487.648 4.347 10 10 JICE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873165749 SNTXCGYDQNADQM-UHFFFAOYSA-N 457.574 4.043 10 10 JICE CN1CCc2cc([C@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2106805195 KFYPNCUYMOXYBK-DEOSSOPVSA-N 451.611 4.272 10 10 JICE CN(Cc1ccccc1O)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2124288779 JVMLIBGFDKSSEO-AREMUKBSSA-N 454.567 4.195 10 10 JICE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2198094212 YDPKQWCOWHXDPB-QLXKLKPCSA-N 472.630 4.446 10 10 JICE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(OCCOc2ccccc2)c1 2293296206 QWGUAGXAUUGMCK-UHFFFAOYSA-N 462.889 4.464 10 10 JICE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 2294093833 VGEKYBDOIFEEAC-UHFFFAOYSA-N 470.529 4.336 10 10 JICE Cc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 2294262170 FBNASUDOUVUWRU-UHFFFAOYSA-N 466.360 4.380 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 2294353251 KMKWZEPDDHUNQT-UHFFFAOYSA-N 452.482 4.208 10 10 JICE Cc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)N(c5ccc(F)cc5)C4=O)o3)[nH]c2c1 2313571475 XFVQSUDXBJXWNJ-UHFFFAOYSA-N 462.462 4.421 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314831145 DKNODMBPNLQRFX-UHFFFAOYSA-N 470.572 4.189 10 10 JICE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3OC)C2=O)cc1OC)C(=O)O 2314932915 PWVWWYWQOHDSHX-OAHLLOKOSA-N 459.545 4.352 10 10 JICE COc1ccc(OCCN2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)cc1 2323719285 DZERHTGCKRDASP-UHFFFAOYSA-N 454.573 4.476 10 10 JICE CC(C)(C)OC(=O)N[C@]1(C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(F)F 2361995073 CKKARPXVEJVQMS-HSZRJFAPSA-N 482.572 4.301 10 10 JICE COc1ccc(N2CCN(C(=O)CSCc3nc(-c4ccccc4F)oc3C)CC2)cc1 9693962 YBEOEDHHGXKQJJ-UHFFFAOYSA-N 455.555 4.380 10 10 JICE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(OC)cc3)C2=O)ccc1O 15039739 QPSJIIAMAIEGJW-ZHZULCJRSA-N 472.588 4.420 10 10 JICE CCCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)SC1=S 40939025 UXEBQXQXBDJRGE-PTNGSMBKSA-N 488.425 4.488 10 10 JICE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 103040608 GFBPVOQQJFGWQG-DEDYPNTBSA-N 480.567 4.422 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 210719286 DKNODMBPNLQRFX-XMHGGMMESA-N 470.572 4.189 10 10 JICE CCn1c(C(=O)Nc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650042 JADNFHADLNEEPT-UHFFFAOYSA-N 470.577 4.347 10 10 JICE COc1ccc([C@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080025866 SSKOLIPDMAHWJD-KRWDZBQOSA-N 483.350 4.204 10 10 JICE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2296753948 FYNCVXFWDMRGIH-UHFFFAOYSA-N 456.545 4.044 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3cccc(O)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935049 MSVKNDDJGMXXRZ-INIZCTEOSA-N 459.545 4.439 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641159 CMTKLYDJAMKXDR-RGKFVRLKSA-N 464.562 4.448 10 10 JICE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15047272 CMWGQMWNWAAIAQ-FFCYNSPCSA-N 491.388 4.376 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33723727 QGVAVSYZVLVCSN-URTGMZOISA-N 464.616 4.349 10 10 JICE CCN(CC)CN1C(=O)/C(=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 59081078 DLVTZIWVRYIWRS-QZQOTICOSA-N 483.615 4.126 10 10 JICE O=C(Nc1cccc(C(=O)NCc2ccccn2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586702807 DHSMOCDQNFZIOW-UHFFFAOYSA-N 476.492 4.431 10 10 JICE CC(=O)c1cc(Cl)cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1O 1197589463 LBKWOVSTAQTMFF-CJNGLKHVSA-N 450.885 4.383 10 10 JICE CC(C)C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1858074990 YZJNYDDFONYPTM-CLJLJLNGSA-N 490.648 4.107 10 10 JICE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)sc(C)c1-c1ccccc1 1860652115 UCSUKTSXDKJZHP-OALUTQOASA-N 470.591 4.256 10 10 JICE CC[C@](C)(NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867888516 KHCNQMCQGISGFM-UHSQPCAPSA-N 493.696 4.061 10 10 JICE Cc1ccc([C@@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1868149238 SRJKRDOZXCKOEY-DEOSSOPVSA-N 454.526 4.265 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)C(C)C)CC2)cc1 1868707606 QNNHUVPYKXWMRP-AHKZPQOWSA-N 483.628 4.454 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccccc4F)cc3)CC2)cc1 1874740548 HCUOIMZBWKJSOD-UHFFFAOYSA-N 476.548 4.377 10 10 JICE COc1ccc([C@H](n2nc(C(F)(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079873093 KCQULFQGQZMZLE-AWEZNQCLSA-N 484.256 4.349 10 10 JICE COc1cccc(OCCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2OC)c1 2297313887 DOTFJUWQFHPSJG-UHFFFAOYSA-N 465.531 4.329 10 10 JICE O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 2297341132 KXTFCKOVGDISOV-UHFFFAOYSA-N 476.872 4.284 10 10 JICE CCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)NC1=S 2297358462 SUIZDMHNXHAKPD-UHFFFAOYSA-N 492.351 4.022 10 10 JICE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314759606 DJCHIKNEQUHNDA-UHFFFAOYSA-N 474.398 4.098 10 10 JICE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2314832054 YSLLVELBAHTQIE-UHFFFAOYSA-N 455.001 4.083 10 10 JICE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCCC4)C(=O)[C@@H]23)cc1 59417304 UGTUXGGAZIUKFL-XPWALMASSA-N 457.526 4.208 10 10 JICE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)n1-c1ccccc1 62694342 YEHUQTRXHLGZMS-UHFFFAOYSA-N 479.646 4.407 10 10 JICE COc1ccc(N2CCN(C(=O)c3ccn4c(-c5ccccc5Br)nnc4c3)CC2)cc1 65296612 MVLYVIYMOORNDN-UHFFFAOYSA-N 492.377 4.130 10 10 JICE CC1=NN(c2ccccc2)C(=S)/C1=C/NCCN/C=C1/C(=S)N(c2ccccc2)N=C1C 105805826 HJNXCJTYDKVSAO-YHARCJFQSA-N 460.632 4.380 10 10 JICE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C 213166020 UUPUZMJEOQQNPA-IZQLPPHKSA-N 493.610 4.484 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1722748655 ISXRRKPKQWRSCA-HSZRJFAPSA-N 466.674 4.165 10 10 JICE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)c(C)c4)c4ccccn34)CC2)cc1 1858224763 HBGLEPLXXDCRAG-UHFFFAOYSA-N 483.572 4.174 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)CC2)cc1 1862097440 VWRRYCGAYDRKFL-FQEVSTJZSA-N 497.599 4.014 10 10 JICE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864021600 QILJLWCPNPJLJW-NRFANRHFSA-N 468.598 4.190 10 10 JICE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1869223618 PUFZHUXYMOUQES-RUZDIDTESA-N 473.621 4.342 10 10 JICE COc1ccccc1CN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166097 BVUVIALBJKRLDA-XMMPIXPASA-N 485.584 4.151 10 10 JICE CCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1873545073 JSJKCROAKHBPPY-UHFFFAOYSA-N 464.614 4.049 10 10 JICE CC(C)(C)OC(=O)NCCN(CC(F)F)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106886262 RKIAABIYOQNMQT-UHFFFAOYSA-N 470.561 4.158 10 10 JICE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)c1 2293990393 WPSVWPYJSYYTLA-UHFFFAOYSA-N 495.340 4.440 10 10 JICE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 2313549526 YMNKJUUQXUJCIH-UHFFFAOYSA-N 471.878 4.145 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2314754946 JQKLVJKVMPTMTH-UHFFFAOYSA-N 492.663 4.259 10 10 JICE COc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932767 PLZJJSKTCWNYFI-CYBMUJFWSA-N 457.529 4.156 10 10 JICE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640917 QPEYKYRHPLSQGK-JXQFQVJHSA-N 470.591 4.323 10 10 JICE COc1cc([C@@H]2Nc3c(C(=O)NC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468777 HWJWYFDNCCGFGB-KSYXXAMZSA-N 462.546 4.356 10 10 JICE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NCCN/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 106200521 XOEPUZOUSDPSAA-JFMUQQRKSA-N 497.386 4.086 10 10 JICE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 213178272 SXWYYXIZLJQTCY-RXWSAZGZSA-N 493.610 4.484 10 10 JICE CCOc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 215559117 XUOAWAVOAMVBRV-UITAMQMPSA-N 464.484 4.279 10 10 JICE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016722 WHTFVNFSXYLWNZ-OPAMFIHVSA-N 482.540 4.070 10 10 JICE COc1ccc(N2CCN(C(=O)c3cnc4c(c3)c(C)nn4-c3ccc(Cl)cc3)CC2)cc1 1866402610 ZYDBEIKMVCQNMI-UHFFFAOYSA-N 461.953 4.353 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCC(O)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867977856 FWRODHNALMXXKQ-UHFFFAOYSA-N 480.012 4.093 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)noc4C)cn3CCC(C)C)CC2)cc1 1870566113 NNYJRESLIKVFKO-UHFFFAOYSA-N 494.636 4.409 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871479827 HAHJQZWFXCOOHL-UHFFFAOYSA-N 495.631 4.023 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873165912 WHBWYIMKKCRKGV-UHFFFAOYSA-N 477.008 4.179 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CC(C)C)C2=O)cc1 1873424603 SXUUBUJNJDXTPU-UHFFFAOYSA-N 491.613 4.346 10 10 JICE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNCc1cc(Br)cc(F)c1O 2234594610 MZKPAMOBUFMELV-CYBMUJFWSA-N 453.299 4.418 10 10 JICE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1C 2294093844 WPANNHIHSDCIGZ-UHFFFAOYSA-N 470.481 4.247 10 10 JICE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2296882357 QGWXHZIKIJQRHN-UHFFFAOYSA-N 470.572 4.491 10 10 JICE COc1ccc(Br)c(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c1 2297104892 HLOULUFKSRVLFF-UHFFFAOYSA-N 451.276 4.277 10 10 JICE COc1ccc(OC)c(NCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)c1 2313503232 IBLYPOYHVQBHBV-UHFFFAOYSA-N 476.576 4.000 10 10 JICE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 2313683623 KLYUFZZEJGLYRR-UHFFFAOYSA-N 499.523 4.405 10 10 JICE Cc1c(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314646922 UWMPKBRGWHVHCS-UHFFFAOYSA-N 480.615 4.474 10 10 JICE COc1ccc(C=C2SC(=S)N(NC(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1 2314716749 LBLOLASYDKBXHK-UHFFFAOYSA-N 469.371 4.313 10 10 JICE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314768704 MCTICXDRJPHCTN-INIZCTEOSA-N 464.362 4.270 10 10 JICE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCC(=O)N4C)C2=O)cc1 2321734658 RYBKLECBPDYVMR-UHFFFAOYSA-N 453.589 4.294 10 10 JICE COc1ccc(CCNC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331594884 NGSUAWRVJPBLND-UHFFFAOYSA-N 484.643 4.290 10 10 JICE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15040033 KODFLRZIQXZWSJ-ZHZULCJRSA-N 472.588 4.420 10 10 JICE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 33757705 DOQJOKJBVJSOPQ-ZGPWBKFBSA-N 476.627 4.257 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccccc12 101771588 QUUGFZQSNHQLPA-HZHRSRAPSA-N 473.558 4.150 10 10 JICE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 207330661 RURLBUZFOHTNIX-XMHGGMMESA-N 459.614 4.285 10 10 JICE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208272907 GAUSPRHDJUMUIZ-UDWIEESQSA-N 466.632 4.487 10 10 JICE O=C(Nc1nc(-c2cccs2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860742052 MYZGGDAFMYQMIF-UHFFFAOYSA-N 459.508 4.224 10 10 JICE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@@H]2c1ccc(O)c(O)c1 1865026360 MIWRSNIMXCWKFH-HSZRJFAPSA-N 476.577 4.145 10 10 JICE COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(-c5cccc(C)c5)cc4c3=O)CC2)cc1 1866477092 YGQDMTVLFGDXRR-UHFFFAOYSA-N 453.542 4.475 10 10 JICE CCCC[C@@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868976405 DGKXNHWOCVUIKQ-OAQYLSRUSA-N 472.655 4.221 10 10 JICE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1951703141 MXJZLKLNWYIYDR-QZNHQXDQSA-N 459.498 4.268 10 10 JICE Cc1c(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccccc1F 2293854782 IPYTUGIPQDXPOE-UHFFFAOYSA-N 457.461 4.392 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(CSc4ccccn4)c3)C2=O)cc1 2295902765 AOKAOEMLEGJEMI-UHFFFAOYSA-N 489.553 4.448 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2297349588 YUWKFRHCCFFCFV-UHFFFAOYSA-N 498.582 4.212 10 10 JICE Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1[N+](=O)[O-] 2313560503 VYWVATMWSYKCBT-UHFFFAOYSA-N 458.474 4.319 10 10 JICE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314509695 WZULWUZQVNDFNU-MRXNPFEDSA-N 479.583 4.175 10 10 JICE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2314835764 QWLSGHMEWXMVOL-UHFFFAOYSA-N 463.378 4.264 10 10 JICE COc1ccc(N2CCN([C@H](c3ccccc3OC)[C@@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15017542 OSXSRIQXSRMZQM-XRKRLSELSA-N 485.584 4.292 10 10 JICE Cc1ccc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3CCCO)c2C)cc1 23636781 IVEAGNOSZQTCGX-UHFFFAOYSA-N 461.587 4.470 10 10 JICE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33383651 NLZQGVVCOBJJMS-PXLXIMEGSA-N 492.670 4.246 10 10 JICE COc1ccc(N2CCN(C(=O)c3sc([C@@H](c4ccccc4)N(C)C)nc3C)CC2)cc1 1858128399 FAAUXFIMXZFZFM-JOCHJYFZSA-N 450.608 4.074 10 10 JICE COc1ccc(N2CCN(c3nc(C)c(Cc4cccc(Br)c4)c(O)n3)CC2)cc1 1858506666 JIWBGUPECHPIKT-UHFFFAOYSA-N 469.383 4.179 10 10 JICE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3C)cs1 1859574506 QNGLIKIRFVABEM-UHFFFAOYSA-N 457.577 4.145 10 10 JICE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016505 QRHUVXMGHDTYSL-QHCPKHFHSA-N 496.567 4.382 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)N2CCCCC2)cc1 1866037324 SBTQXSODSFPAIX-NRFANRHFSA-N 462.516 4.210 10 10 JICE CCc1sc(NC(=O)COCCOC)c(C(=O)OC)c1-c1ccc(Br)cc1 1866107974 QJPFIUFXTVAMSP-UHFFFAOYSA-N 456.358 4.128 10 10 JICE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CC(C)C)CC2)cc1 1870465929 XLAQHYROBFPREV-UHFFFAOYSA-N 461.606 4.414 10 10 JICE CCOC(=O)N1CCC(NC(=O)c2ccc3[nH]c(-c4ccc(N(CC)CC)cc4)nc3c2)CC1 1872740960 XHPJQOZEGCWMBE-UHFFFAOYSA-N 463.582 4.427 10 10 JICE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)CC1 1873162032 CPPVSWPKNDAHND-UHFFFAOYSA-N 492.620 4.041 10 10 JICE Cc1ccc(NC(=O)COc2cccc(C=C3SC(=S)N(CCC(=O)O)C3=O)c2)cc1Cl 2040470071 ZLVCOPFHJMETEQ-UHFFFAOYSA-N 490.990 4.342 10 10 JICE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079012955 BWUPLGITMGSIMU-MRXNPFEDSA-N 467.351 4.288 10 10 JICE CN1CCCc2cc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc21 2205689229 ZIPSJJMPXNVTLQ-UHFFFAOYSA-N 476.662 4.357 10 10 JICE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2314539144 LWMDNMCHWSHKPU-UHFFFAOYSA-N 464.318 4.251 10 10 JICE COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)N2CCCCC2)cc1 2314625277 WKZPEEKFINBYHB-JOCHJYFZSA-N 495.670 4.240 10 10 JICE CC[C@H](Oc1ccc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1OC)C(=O)O 2314933991 XNHYBLFDXUWEKF-KRWDZBQOSA-N 457.573 4.381 10 10 JICE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)Nc4ccccc4)n3)CC2)cc1 16976873 RMTIBJBJKXPEFA-UHFFFAOYSA-N 465.579 4.077 10 10 JICE CS(=O)(=O)c1nc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)c2ccccn12 109026200 QGLAKTJVQZQXEA-HSZRJFAPSA-N 471.538 4.116 10 10 JICE O=C(CCn1c(O)nc(=O)c2ccccc21)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 253615955 WOWZIVKCHLMPKG-SANMLTNESA-N 465.509 4.257 10 10 JICE COc1ccc([C@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 254395584 WDWWABVGDBDKGA-NDEPHWFRSA-N 493.632 4.393 10 10 JICE CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(N(C)C)cc3)sc12 254815640 BHDBROLWXQEBEC-UHFFFAOYSA-N 480.973 4.036 10 10 JICE CCc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586262986 BNJLKKYSJADSMS-UHFFFAOYSA-N 461.539 4.402 10 10 JICE O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1088723260 JGBKHLQDCNIUDP-GFQQVXNGSA-N 489.518 4.234 10 10 JICE Cc1cc(O)ccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347237 DEUYTEJECUPYHC-MHZLTWQESA-N 466.541 4.441 10 10 JICE COC(=O)c1c(NC(=O)C(=O)Nc2sc(C)c(C)c2C(N)=O)sc(C)c1-c1ccc(C)cc1 1860768276 ZBRLMBCMQIIBSR-UHFFFAOYSA-N 485.587 4.173 10 10 JICE CC[C@@](C)(NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867888441 KHCNQMCQGISGFM-GGXMVOPNSA-N 493.696 4.061 10 10 JICE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2293175890 WSBHCPBYQASKEW-UHFFFAOYSA-N 464.547 4.491 10 10 JICE CN(C)c1ccc(CN(C(=O)C=Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 2295848694 RFVDAOVCOPVJCX-FQEVSTJZSA-N 467.418 4.289 10 10 JICE CN(C)c1ccc(CN(C(=O)C=Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 2295848695 RFVDAOVCOPVJCX-HXUWFJFHSA-N 467.418 4.289 10 10 JICE COc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4ccccn4c3=O)SC2=S)cc1 2296546120 OIMFIGQROISVFB-UHFFFAOYSA-N 480.615 4.172 10 10 JICE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 2297345189 AQPJRGZPOSYNNG-UHFFFAOYSA-N 496.401 4.022 10 10 JICE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc2ccccc2n1Cc1ccccc1F 2297350351 QXOPPUYXYBZZEQ-UHFFFAOYSA-N 484.443 4.403 10 10 JICE N=C1C(=Cc2cccn2Cc2ccccc2Cl)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352771 VIIMODFERPZMGI-UHFFFAOYSA-N 452.971 4.252 10 10 JICE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935928 TVPRMGAIMRLVFR-ZDUSSCGKSA-N 459.545 4.352 10 10 JICE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 8834033 CIKDNNREXYGLEQ-RYPVXOHGSA-N 472.327 4.383 10 10 JICE Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1C 17053087 ZYWWFKDLFVTDEL-MHZLTWQESA-N 463.647 4.447 10 10 JICE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C(=N)N12 20205596 BLAKEUZAEGJLFH-QWFXQQHISA-N 496.570 4.333 10 10 JICE CCOC(=O)C1=C(CN(C)c2ccc(OCC)cc2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 20214602 SKFCXNFPLWTNPB-DEOSSOPVSA-N 467.566 4.180 10 10 JICE COc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O 38181391 ZBVODVBUGGDRSR-SDKMYPDVSA-N 458.942 4.121 10 10 JICE CCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 40937763 BKTNUJKJMQDJFF-UVTDQMKNSA-N 474.398 4.313 10 10 JICE CCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(CC)CC)cc1OC)N(C(C)=O)c1ccccc1-2 261365486 SRQJNPLLXZYDEU-XMMPIXPASA-O 480.614 4.017 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526465539 DVCGBSNHTGYNSG-HSZRJFAPSA-N 461.470 4.340 10 10 JICE O=C(NCc1ccncc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586625842 SBXNPWREZQNOES-UHFFFAOYSA-N 476.492 4.431 10 10 JICE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc([N+](=O)[O-])c1C 1084091514 ZRXUBPIKESXUDR-WJDWOHSUSA-N 465.462 4.442 10 10 JICE CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)CC1 1301697516 WGLWMLVFDUPWDI-UHFFFAOYSA-N 477.059 4.296 10 10 JICE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864021606 QMIILUKSEGNODH-OYHNWAKOSA-N 476.577 4.011 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2ccc(Br)cc2[nH]1 1866171178 FIPURMAOQUATRP-UHFFFAOYSA-N 473.282 4.318 10 10 JICE CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866938525 DKOWXXDIUWHPEM-BDTNDASRSA-N 470.500 4.238 10 10 JICE CCOC(=O)c1ccc(CNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872883871 AVHOXFFNUDWBOU-UHFFFAOYSA-N 487.600 4.124 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C(C)C)C2=O)cc1 1873423996 LFLKILZYDRZLLZ-UHFFFAOYSA-N 497.643 4.446 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)CC2)cc1 1874727457 RMFWYFUOGFWTOM-UHFFFAOYSA-N 487.556 4.071 10 10 JICE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314827509 GPFTZNBTLJZYFE-UHFFFAOYSA-N 485.543 4.002 10 10 JICE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)C2)cc1 64926542 RTKSCURUWYGRJC-XMMPIXPASA-N 495.627 4.044 10 10 JICE CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O 102583259 CBSRTPVVKOVTFU-WOJGMQOQSA-N 475.302 4.297 10 10 JICE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc([N+](=O)[O-])ccc1C 205948456 RQZOKUQVBIYUBO-DEDYPNTBSA-N 465.491 4.165 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526546538 QZYFFFNXKUIXTM-NRFANRHFSA-N 455.413 4.450 10 10 JICE COc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C(C)=C\c4ccccc4)SC3=S)C2=O)cc1 1772759338 YGCGTJXUUGHUGU-DSKJCESZSA-N 464.568 4.175 10 10 JICE CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4ccc(O)c(O)c4)c12)OC(C)(C)CC3 1860283536 WRRHWIRAWBVMIY-UHFFFAOYSA-N 495.572 4.388 10 10 JICE CC[C@](C)(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862201687 QVVADJGWXOFKKV-DEOSSOPVSA-N 494.419 4.015 10 10 JICE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012310 XHZYVWKWNFSIDJ-JOCHJYFZSA-N 494.979 4.058 10 10 JICE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012577 DIWBEMGVIXKXPD-QHCPKHFHSA-N 490.604 4.070 10 10 JICE O=C1C(=O)[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1N[C@@H]1CCCC[C@H]1N1CCCC1 2049395934 YPXGJWCPLUUHRX-TVFCKZIOSA-N 477.449 4.022 10 10 JICE CC(C)(C)OC(=O)NCC1(F)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163121459 RSVINNFZVJJMSM-UHFFFAOYSA-N 478.609 4.395 10 10 JICE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2294094934 FHCKLYUFCPXINB-UHFFFAOYSA-N 463.877 4.112 10 10 JICE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 2294133756 HMHRPJDMBCOYIL-UHFFFAOYSA-N 460.461 4.388 10 10 JICE COCCN1C(=O)C(=Cc2cccn2-c2cccc(Br)c2)C(=O)N(c2ccccc2)C1=O 2295201905 NEZQSATVYXOBPJ-UHFFFAOYSA-N 494.345 4.265 10 10 JICE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 2297341016 DDZPLQZYUMTRGF-UHFFFAOYSA-N 470.532 4.226 10 10 JICE COc1cccc(OCCOc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347458 RQHCUBXSGGIXLT-UHFFFAOYSA-N 483.908 4.265 10 10 JICE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)c(OC)c1 20356539 QHFKWTPPXWHXAW-ADKREUBMSA-N 492.605 4.174 10 10 JICE CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 39919434 ILEFQXQFIYWGOW-OAQYLSRUSA-N 465.897 4.226 10 10 JICE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40888846 RLVZHAUFOVXWJP-UVTDQMKNSA-N 474.398 4.011 10 10 JICE Cc1cc2c(n1-c1cc(I)cc(I)c1)CCC[C@H]2O 690342022 WSQWQPYZGBVBKR-OAHLLOKOSA-N 479.099 4.365 10 10 JICE COC(=O)Cc1sc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 727250477 LWLFKLLURWYTSV-UHFFFAOYSA-N 481.939 4.196 10 10 JICE COc1cc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c(OC)cc1Cl 1860721216 HVWGMQNZQPQKDL-UHFFFAOYSA-N 464.143 4.207 10 10 JICE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5Cl)CC4)nc(C)n3)CC2)cc1 1867987799 QLNAPSMBORZWLS-UHFFFAOYSA-N 479.028 4.100 10 10 JICE CCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868868153 KOKBSFQNSDRLHA-DQEYMECFSA-N 484.040 4.476 10 10 JICE CCN(CC)CCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870353086 IQTBHCPEHOPAQR-UHFFFAOYSA-N 498.712 4.336 10 10 JICE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871495879 TWCZQAIETUZOOZ-UHFFFAOYSA-N 499.619 4.123 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873166281 JXXPXBYSHGRCLE-HSZRJFAPSA-N 473.548 4.282 10 10 JICE C[C@@H](Sc1nc(O)c2ccccc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179545 JGCJWKXPNHYDCL-CYBMUJFWSA-N 455.495 4.230 10 10 JICE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc(O)c(O)c(O)c1 1952826541 ZRNLTLQODROXEE-CVDCTZTESA-N 461.470 4.200 10 10 JICE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2040499477 ZGSHKWQLBLCJLV-SJLPKXTDSA-N 494.642 4.148 10 10 JICE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2079035332 BZAMLVXMHYYWFW-SNVBAGLBSA-N 468.213 4.307 10 10 JICE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848756 MPWSWCBJMJSTCD-INIZCTEOSA-N 454.308 4.311 10 10 JICE O=C(N[C@H]1C(F)(F)C12CC(NCc1cc(Br)cc(F)c1O)C2)OCc1ccccc1 2207135267 NDOWVRNZWYBPOY-RVSXGSNBSA-N 485.300 4.476 10 10 JICE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 2297341197 CHCJPXLEUCLFJX-UHFFFAOYSA-N 460.461 4.470 10 10 JICE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 2297347755 ZFJLQCPNJONLKQ-UHFFFAOYSA-N 451.866 4.408 10 10 JICE CCN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)NC1=S 2297357894 MEULYSDACCZURP-UHFFFAOYSA-N 465.344 4.253 10 10 JICE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2314505974 AEGZCILILDBEPG-UHFFFAOYSA-N 495.582 4.204 10 10 JICE CCC(=CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2332077796 RYINNLXDRGWXLQ-UHFFFAOYSA-N 468.509 4.019 10 10 JICE CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cc(Br)ccc2O)NC(=O)N1 823196 ZAJBAEODHDUAJH-INIZCTEOSA-N 481.144 4.184 10 10 JICE COc1cc([C@@H]2Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469307 BGPABRCJPDRRHB-JYEBCORGSA-N 462.546 4.356 10 10 JICE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526264418 MLIQDXABJLDBJP-QHCPKHFHSA-N 461.470 4.375 10 10 JICE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526350917 GOFAAUNVOWACCP-DEOSSOPVSA-N 491.496 4.349 10 10 JICE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526478181 RYYPYBSGNLVEMV-DEOSSOPVSA-N 491.496 4.349 10 10 JICE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C(=O)OC)sc(C)c1-c1ccc(F)cc1 1860747217 ZYOXMPBKOIVQDE-UHFFFAOYSA-N 484.505 4.403 10 10 JICE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864014472 VWCBHXGXIHKLTR-HSZRJFAPSA-N 490.604 4.222 10 10 JICE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)CC2=O)cc1 1865925506 LQCSJFRZFHKUEQ-GOSISDBHSA-N 459.502 4.229 10 10 JICE CC[C@](C)(NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826763 HFOAGYPEPBGZHF-LSYYVWMOSA-N 464.654 4.303 10 10 JICE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)CC1 1867961210 KCXNRIUXEOXYCI-UHFFFAOYSA-N 486.664 4.319 10 10 JICE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccccc4[N+](=O)[O-])c3)CC2)cc1 1874739070 OMKPDKCDUANVLP-UHFFFAOYSA-N 489.528 4.218 10 10 JICE CCCOc1cc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)nc(C)n1 1892139383 LDWVBSMOCOPCFP-UHFFFAOYSA-N 456.553 4.123 10 10 JICE Cc1ccc(Cn2nc(Br)c(I)c2C(F)(F)F)c(O)c1 2079156008 NBAFRVYOFPFWBX-UHFFFAOYSA-N 461.019 4.331 10 10 JICE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCC(C)C)nc12 2296545936 BWKNBKGAOQJNAV-UHFFFAOYSA-N 464.616 4.472 10 10 JICE Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1C(=O)O 2313556628 GKDACIANXHFFIP-UHFFFAOYSA-N 450.834 4.273 10 10 JICE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314397371 GAUCXMCTBVWJAP-LBPRGKRZSA-N 476.963 4.032 10 10 JICE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=O)N=C2O)cc(OC)c1OC 33322171 URJPVPFFDLBRQW-ZSOIEALJSA-N 475.295 4.290 10 10 JICE COc1ccc(OCCOc2ccc(C)c(C)c2)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35317276 JXUUKQHKZFQOHY-ULJHMMPZSA-N 458.514 4.231 10 10 JICE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)C2CCC2)c(OS(C)(=O)=O)c1 37421896 GCHAGMLPYQOMRE-UHFFFAOYSA-N 462.587 4.339 10 10 JICE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=N)N12 96459415 GJDCOVKRYKZMHT-LHTBISBZSA-N 492.991 4.047 10 10 JICE CC(=O)N[C@@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(C)cc4C)n3)cc21 170549524 UVYOAEJRZUQKOO-GOSISDBHSA-N 457.577 4.187 10 10 JICE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 214758758 LSFDVRKHTCOUJS-OBGWFSINSA-N 493.607 4.118 10 10 JICE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526395433 MGYWBHNBECGRNS-XMMPIXPASA-N 476.485 4.131 10 10 JICE CCOC(=O)c1ccccc1NCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1084101084 MLECLAJSKFEVQB-UNOMPAQXSA-N 458.561 4.151 10 10 JICE CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1301686225 JFYIBAFVWVHFFB-HSZRJFAPSA-N 466.674 4.362 10 10 JICE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)c2)CC1 1538709048 KHPZNXSTUOAUDV-UHFFFAOYSA-N 456.546 4.168 10 10 JICE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867778542 UOWPANMUUAXRGC-VMPREFPWSA-N 498.671 4.437 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868842151 KTOONJCUEVIBMR-CLJLJLNGSA-N 465.638 4.233 10 10 JICE CCOC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871145138 IGWIXHBBVSBLRC-UHFFFAOYSA-N 465.550 4.182 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1 1874179202 SVSFSOUFYCDJBI-UHFFFAOYSA-N 465.509 4.028 10 10 JICE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)o2)cc1 2296660296 VFLNZRWRKVCUNK-UHFFFAOYSA-N 458.470 4.352 10 10 JICE Cc1cc(C)cc(N2C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1 2297560469 YRCDAHSZYRFMFS-UHFFFAOYSA-N 454.349 4.379 10 10 JICE COc1ccc(N2CCN(S(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)CC2)cc1 15733760 NYJGCNSVKVAXES-UHFFFAOYSA-N 481.618 4.151 10 10 JICE Cc1ccc(-n2nc(S[C@H](C)C(=O)NCc3ccc(N(C)C)cc3)ccc2=O)cc1Cl 33128246 YRNUOEIVLGKRBY-MRXNPFEDSA-N 456.999 4.057 10 10 JICE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCCc3ccccc3)nc12 33489176 ZLEBTAAXLZKLOW-RGEXLXHISA-N 464.616 4.267 10 10 JICE O=C1/C(=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc2N1CN1CCCCC1 34896631 QYLGQNCWTYKTSK-VXPUYCOJSA-N 453.564 4.392 10 10 JICE CN(C)c1ccc(CN(C[C@@H](O)COc2ccccc2Br)c2ccccn2)cc1 40317178 GUIAHSOAZDCHED-HXUWFJFHSA-N 456.384 4.357 10 10 JICE CCOc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc(I)c1O 96481808 PXEHAZUFZSIFRF-NVNXTCNLSA-N 466.250 4.341 10 10 JICE CCCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 103784119 JIQGZBLTMBIZPE-CPNJWEJPSA-N 492.395 4.082 10 10 JICE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526525324 FIRZGVOGSQTQQZ-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 731400392 BSDKMQICZAGGCH-QFIPXVFZSA-N 459.612 4.149 10 10 JICE Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)c4ccc(O)c(O)c4)cc3)ccc12 916590756 MIGDLAMISLIABL-UHFFFAOYSA-N 460.438 4.131 10 10 JICE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccn(CC)c1=O 1705479273 KFOQDEBJHKQSQG-LJQANCHMSA-N 454.578 4.040 10 10 JICE COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)NCCc1ccc(O)c(O)c1 1860324847 LWJUYWAWTKFLIN-UHFFFAOYSA-N 459.498 4.171 10 10 JICE CCOC(=O)c1c(NC(=O)[C@@H]2CSCN2)sc(C)c1-c1ccc(Br)cc1 1866107602 YERYOZWQAYIEFZ-ZDUSSCGKSA-N 455.399 4.264 10 10 JICE CCCN(CCC)c1cccc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1866598333 GMJMIKOLVWOPPS-GOSISDBHSA-N 498.583 4.240 10 10 JICE C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867749419 HAHYASKCBSKDJH-AJTFRIOCSA-N 487.648 4.005 10 10 JICE CC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896570 MKEXHCCDVKQFFZ-IZZNHLLZSA-N 464.654 4.221 10 10 JICE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 1868164065 AHRPVJCOZCSAAG-UHFFFAOYSA-N 494.956 4.298 10 10 JICE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)Cc3ccccc32)n1 1869110745 ZSHWEUQCQUCHPL-NRFANRHFSA-N 473.621 4.331 10 10 JICE O=C(N[C@@]1(c2cc([N+](=O)[O-])ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952777187 YKYVAYYNDMFMDX-SQJMNOBHSA-N 460.442 4.139 10 10 JICE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cc(O)cc1O 1952829032 HIHBCQAOYLEJTQ-DVECYGJZSA-N 461.470 4.200 10 10 JICE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)c(O)c1 2078994969 RNVFRYQAYNXUIY-QGZVFWFLSA-N 452.292 4.467 10 10 JICE O=Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079231328 YBUIEUGFYXSFCQ-UHFFFAOYSA-N 464.103 4.092 10 10 JICE COc1ccc([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080052508 BAOFEOBABWKAJP-QGZVFWFLSA-N 469.367 4.348 10 10 JICE C[C@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)NC3=O)c3cc(OC(=O)c4ccccc4)cc1c32 2185889643 YUNGFZCNKXEFER-LCIOQVQZSA-N 464.568 4.397 10 10 JICE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 2294095421 RAXSHXHJHHGLOV-UHFFFAOYSA-N 476.460 4.088 10 10 JICE CC1=CC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=N)N2O1 2297347742 YJXFHJKURMIWBB-UHFFFAOYSA-N 452.264 4.119 10 10 JICE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400476 NHOUIUCCNWWMLS-CALCHBBNSA-N 486.663 4.090 10 10 JICE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314827467 FQDVUZHYDJYUMF-UHFFFAOYSA-N 460.964 4.357 10 10 JICE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)NCCc1nc2ccccc2s1 2314913661 OKFNDCYLNHSPHJ-UHFFFAOYSA-N 453.614 4.247 10 10 JICE CCC(=CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329538789 IQJLMNVWSHPGTH-KRWDZBQOSA-N 482.536 4.407 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(C(C)(C)C)cc3)CC2)cc1 2330471371 YCPMDHIIIXNPDZ-RUZDIDTESA-N 493.673 4.256 10 10 JICE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14461680 COLROSMAGUYXFG-CLCZQPDDSA-N 480.678 4.295 10 10 JICE COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OC(C)C 33411731 BKIMCYRXKJLGQQ-VIZOYTHASA-N 465.731 4.360 10 10 JICE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33489178 NUIUSQRHYOYFHX-UYRXBGFRSA-N 464.616 4.267 10 10 JICE CC(C)C1=NN2C(=N)/C(=C/c3cccc(OCCOCCOc4ccccc4)c3)C(=O)N=C2S1 101799527 FPNOUJZZKIEWEN-CSQJVAFZSA-N 478.574 4.436 10 10 JICE CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 1655325732 SCYQGGKHOPIMMB-UHFFFAOYSA-N 458.534 4.232 10 10 JICE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013721 ZHDKQCHSTDNEEG-QHCPKHFHSA-N 490.604 4.152 10 10 JICE CCc1sc(NC(=O)C2CCNCC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865872077 HWEZJNIYUFUDPX-UHFFFAOYSA-N 451.386 4.465 10 10 JICE CC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866861516 KUSCXNTYLBJODJ-FQEVSTJZSA-N 492.535 4.134 10 10 JICE CSCC[C@@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867020931 HRUNCCONIDTCRC-OPAMFIHVSA-N 478.614 4.465 10 10 JICE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869151553 FKHSEXRUHAOBDV-FGZHOGPDSA-N 473.621 4.401 10 10 JICE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)c4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970824 QZXVWRAZGKLRMK-NRFANRHFSA-N 482.588 4.345 10 10 JICE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420395 LKTJAVRIUMWWAG-UHFFFAOYSA-N 486.572 4.281 10 10 JICE CN1CCCc2cc([C@@H](O)[C@@]3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)C3)ccc21 2106827561 DXXQWYDANDZRLG-SHQCIBLASA-N 451.611 4.272 10 10 JICE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106836387 OJSJLORBLZCLQV-QGZVFWFLSA-N 460.619 4.398 10 10 JICE CCN(Cc1ccccc1)C(=O)CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297349427 HQERNVPKOWZTDW-UHFFFAOYSA-N 468.600 4.445 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1OC 2314764976 QOMBMAVFHQWOOG-UHFFFAOYSA-N 493.404 4.403 10 10 JICE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2cc(OC)c(O)c(OC)c2)cc1 27550373 BDLUUPHDFZZGLJ-NDENLUEZSA-N 475.457 4.161 10 10 JICE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)c(Cl)c3)c3ccco3)CC2)cc1 38619293 AJUNVRPJGVJDFN-QHCPKHFHSA-N 490.025 4.092 10 10 JICE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1Cl 62694395 VWQGCIOZHBSWQS-UHFFFAOYSA-N 486.037 4.245 10 10 JICE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526276797 HUILUKMAHWANMU-XMMPIXPASA-N 491.496 4.349 10 10 JICE CCOc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OCC 1860713186 ODEINVRWKHBHNG-UHFFFAOYSA-N 472.541 4.378 10 10 JICE COC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1860749247 ZRFOLZKALUKKAU-UHFFFAOYSA-N 466.515 4.182 10 10 JICE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864022512 NNIQNCPPKVKWHA-KRWDZBQOSA-N 494.514 4.257 10 10 JICE CC[C@H](C)[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865985327 IUBCOMSSTKFVRX-YMSRPXOMSA-N 490.648 4.107 10 10 JICE CC[C@](C)(NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868747097 FLIKXPVXPPIIBM-MNUOXJLESA-N 470.013 4.386 10 10 JICE CCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871662186 VSRUXAGBDYRZCI-UHFFFAOYSA-N 468.005 4.156 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873168741 HYKIQAZZXVHDOQ-UHFFFAOYSA-N 497.574 4.111 10 10 JICE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419527 JKQUJNMOADNMDD-DEOSSOPVSA-N 471.557 4.474 10 10 JICE [N-]=[N+]=NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 2065316092 IOGRHJXCNGMERB-UHFFFAOYSA-N 475.486 4.263 10 10 JICE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c(C)c1 2314828834 MTAGBSOVTKYUBK-UHFFFAOYSA-N 498.561 4.423 10 10 JICE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 1153550 JRADGHUKJBSRPH-MHWRWJLKSA-N 487.697 4.263 10 10 JICE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 8634461 CJHIOLPDKNERIG-RUZDIDTESA-N 467.472 4.345 10 10 JICE COc1cc([C@H]2Nc3c(C(=O)N4CCOCC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641137 WVTOOCVUEZRZTL-IUKKYPGJSA-N 450.535 4.011 10 10 JICE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nccc5sc(C)cc45)C3)CC2)cc1 33174035 IRBYIDBRYIHTEV-IBGZPJMESA-N 450.608 4.179 10 10 JICE CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 101799590 YYIBNQKIMIBYQG-PCHQCWAOSA-N 479.518 4.328 10 10 JICE CCOc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)CC 108741040 IXKBPXVSGOZREM-YQVVRBGWSA-N 494.588 4.467 10 10 JICE COc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 210445700 LWRNACYMPSPSFD-UNOMPAQXSA-N 457.529 4.157 10 10 JICE COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)cc1 1084430721 JNLNPWFRHLRLGD-AUWJEWJLSA-N 467.322 4.477 10 10 JICE C[C@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)C1 1860347274 HABDIEJXCCTINP-UZTOHYMASA-N 456.590 4.437 10 10 JICE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cccc21 1860587735 RGXILFKSIOEENC-UHFFFAOYSA-N 456.473 4.092 10 10 JICE CCCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861946564 JDHHFWOSNHWFPQ-CSVHPWFYSA-N 470.013 4.386 10 10 JICE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864014622 ZGVQZTLUSMRZAL-HSZRJFAPSA-N 490.604 4.100 10 10 JICE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032798 KUMPPQLNYAICSJ-QZMQVMSPSA-N 488.588 4.045 10 10 JICE CC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867935144 HBPCWVWVAIOOCT-XZOQPEGZSA-N 489.035 4.397 10 10 JICE COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420827 WWKBAGUNRDNTNF-UHFFFAOYSA-N 489.572 4.340 10 10 JICE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079859382 BEQWCEKZJPQDLL-ZDUSSCGKSA-N 496.223 4.007 10 10 JICE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C(C)=Cc3ccccc3Cl)C(C)C)CC2)cc1 2330094576 XELOHSRIFYADRQ-DEOSSOPVSA-N 470.013 4.242 10 10 JICE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 15039243 GHPCIHYNOZYYKA-UYRXBGFRSA-N 472.588 4.338 10 10 JICE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2)N1CCOCC1 20751722 HQSCVUDHUIDMFA-YPCDYVTLSA-N 462.571 4.393 10 10 JICE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066472 UAYJCUPYIWBJFX-JAIQZWGSSA-N 482.631 4.279 10 10 JICE COc1ccc(N2CCN(C(=O)C3CCN(c4nc5c(F)cccc5s4)CC3)CC2)cc1 90503564 JMEKZZCVBQHQDD-UHFFFAOYSA-N 454.571 4.009 10 10 JICE O=C(CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1ccc(C(=O)O)cc1 210746338 UQRAXSBIOVBFBN-XMHGGMMESA-N 470.572 4.491 10 10 JICE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 211923700 IDZIJPKYQHKFLC-VXLYETTFSA-N 499.639 4.356 10 10 JICE CC[C@H](NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1cc(Br)ccc1O 387937969 FQYCLYGKMYSYHL-QUCCMNQESA-N 463.372 4.233 10 10 JICE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526634145 ZPRWLRBNMMIVQT-HXUWFJFHSA-N 455.488 4.242 10 10 JICE CCCC(=O)Oc1c(Br)cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 1081100823 ANTYPENIMFYYGW-OVCLIPMQSA-N 493.741 4.278 10 10 JICE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1722757069 YQWFWCMPZJFTCT-XMMPIXPASA-N 480.701 4.456 10 10 JICE CC(=O)N1CCN(c2nnc(C(C)C)n2CCCSc2nccs2)CC12CCCCC2 1722778106 IEJZSMVPFZEGNF-UHFFFAOYSA-N 462.689 4.412 10 10 JICE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 1860761585 ZJMLKLNLMJJZFP-UHFFFAOYSA-N 452.532 4.082 10 10 JICE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864013622 DLSOJXZEJBTJNK-OAQYLSRUSA-N 496.995 4.321 10 10 JICE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864017039 CXDSVKGWAYLAOX-ZUOKHONESA-N 482.968 4.109 10 10 JICE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873167831 ZMNOMQYQJDIZPD-UHFFFAOYSA-N 488.607 4.445 10 10 JICE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352851 DNRGRGFSTIGZQW-UHFFFAOYSA-N 475.574 4.337 10 10 JICE O=C1C(=CC2=Cc3ccccc3O[C@@H]2c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314432542 BQWIKKLWBZUZPJ-WIYYLYMNSA-N 469.609 4.135 10 10 JICE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314837768 WMKMMMAVLUUEBM-CYBMUJFWSA-N 461.406 4.355 10 10 JICE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1 20114536 RWZDRTIPYDUJRM-OMLAYDHKSA-N 468.560 4.093 10 10 JICE O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 27551148 JDYSEKINBZLBDE-UHFFFAOYSA-N 497.419 4.205 10 10 JICE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 35300190 PXPVFMJWHVXKHR-HMMYKYKNSA-N 492.626 4.095 10 10 JICE CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 40938034 KXUMWHKUTJZVKY-VXPUYCOJSA-N 487.002 4.411 10 10 JICE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 102464031 OSCAATZSBVLESQ-RKTZKFLQSA-N 479.949 4.232 10 10 JICE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCCC(=O)N2 1859573651 VESWRSDOFGEXIA-UHFFFAOYSA-N 476.511 4.241 10 10 JICE CC(C)COc1cccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867696052 KIKFPAORFGVIQM-AMGIVPHBSA-N 494.680 4.249 10 10 JICE CCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871476533 UFLOZNSWLKPICQ-UHFFFAOYSA-N 461.614 4.283 10 10 JICE CC(C)(C)OC(=O)N1C[C@H](CNCc2cc(Cl)cc(Br)c2O)OCC1(C)C 2165620109 BZSUHFFUUCQQLP-AWEZNQCLSA-N 463.800 4.312 10 10 JICE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 2293917286 REWUZDIRQMLXGX-UHFFFAOYSA-N 487.581 4.329 10 10 JICE O=C(NN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccccc1O 2296720262 GVRMRRNKGFYACJ-UHFFFAOYSA-N 467.484 4.107 10 10 JICE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cccc(C(=O)O)c1 2296881762 ZOWJNTFPIXAIOZ-UHFFFAOYSA-N 491.388 4.377 10 10 JICE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)CC1 2297352795 XGLLGTWFCCHTOG-UHFFFAOYSA-N 464.507 4.163 10 10 JICE CCOc1cccc(N2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)C(=O)NC2=S)c1 2313540478 CCYQSDAEFPAZJN-UHFFFAOYSA-N 481.755 4.038 10 10 JICE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314754903 HJOWNAGEWDAXFG-UHFFFAOYSA-N 453.582 4.037 10 10 JICE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1O 2314769077 RSTCJYJZIJBWPT-UHFFFAOYSA-N 493.404 4.408 10 10 JICE