smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc(N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)nc2ccc(C(C)C)cc12 12243269 NBPKKZLYISINQH-UHFFFAOYSA-N 487.648 4.431 10 50 JICA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)o1 13552730 BVILNHNOTCLVKE-XDHOZWIPSA-N 461.430 4.147 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 169617432 LTOAYRCQROIULD-SMIHKQSGSA-N 465.505 4.307 10 50 JICA CCN(CC)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 254624185 OTSPYZDKVBQITH-UHFFFAOYSA-N 495.535 4.006 10 50 JICA COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1OC 15799566 WIZVDGWFBUAOCK-RCCKNPSSSA-N 468.600 4.275 10 50 JICA CC(C)Cc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 888104564 CZBDITTXTLEASO-UHFFFAOYSA-N 484.585 4.263 10 50 JICA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 1857524921 BDZVOHIRHOLFRY-UHFFFAOYSA-N 467.576 4.279 10 50 JICA CCC[C@@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11790763 SZFUNHHUFFSPMQ-IGKIAQTJSA-N 470.658 4.015 10 50 JICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2cc(OC)c(OC)c(OC)c2)cc1 16114968 GIEKBJYEBKZIFF-BKUYFWCQSA-N 489.484 4.464 10 50 JICA CC(C)OCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1775971457 JYSWXOBBJRYAIH-HHHXNRCGSA-N 474.605 4.110 10 50 JICA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1 8764039 AZUCUPGXGUBONN-FXBPSFAMSA-N 454.617 4.256 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1C1CCCC1)C1(O[C@H]2c2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O 100701271 YGRJJJNHFZCUEP-ZCNNSNEGSA-N 484.335 4.427 10 50 JICA COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1237726 HKOPHTHVMGZBJQ-ZDLGFXPLSA-N 463.964 4.302 10 50 JICA COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC(C)C 15746100 WNKKAWNXTFCIDB-NVNXTCNLSA-N 465.731 4.360 10 50 JICA C[C@@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O 3070903 WOOVOFSNZCTXFO-SSOJOUAXSA-N 450.494 4.436 10 50 JICA CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]32)cc1 101825061 PQCDRZGHTNVNDA-ZRBLBEILSA-N 469.468 4.083 10 50 JICA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1C 16729392 MRHIRDGTGIVFTR-JCMHNJIXSA-N 460.559 4.159 10 50 JICA CCOc1cc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc(Br)c1O 20109880 DVBJKCXFFZRDFZ-OVCLIPMQSA-N 463.309 4.334 10 50 JICA COc1ccc(O)c(CN2CCN(Cc3cc(OC)ccc3O)C2c2ccc(N(C)C)cc2)c1 23549950 OBMAWXBZYHKBDQ-UHFFFAOYSA-N 463.578 4.198 10 50 JICA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8700792 PMOAWJRBTKDRMH-KNGSKEOJSA-N 464.546 4.262 10 50 JICA C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)C1 9427672 BQRYIMYOMVVOOV-DDMUGZQBSA-N 480.615 4.171 10 50 JICA N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 30721646 YNLRWGPVOYWQTH-JLFKZYKSSA-N 472.482 4.343 10 50 JICA CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 15745873 SEZRUIQOQZXQRE-RIYZIHGNSA-N 479.714 4.176 10 50 JICA CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3C)C(=O)c3ccccc3C2=O)cc1 239305857 GCBOBWNDNLRAHM-VXNXHJTFSA-N 481.504 4.089 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2833382 HAXJYSXJIQRAKJ-KGENOOAVSA-N 486.480 4.029 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100428704 GCUYOEKSCGUNQG-FKBYEOEOSA-N 471.896 4.344 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 9355057 UPUYWTXIXTWSNK-DEDYPNTBSA-N 458.430 4.011 10 50 JICA COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1Cl 18254466 KJDWJVSYKGVXEJ-DEDYPNTBSA-N 454.939 4.279 10 50 JICA O=C1/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 1164846 UQHDRDNIBDZZFL-HKWRFOASSA-N 488.594 4.344 10 50 JICA COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 16265708 HUWFOLOYXGTIPJ-FWIKBFCYSA-N 486.937 4.064 10 50 JICA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 16805191 TXCSNGPXJZILPJ-AQTBWJFISA-N 450.589 4.226 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCC3)nc12 1167908 UPSGTNOXAHCZBD-RGEXLXHISA-N 462.600 4.005 10 50 JICA Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2972571 OMXNLZMTGCPABS-WOJGMQOQSA-N 495.285 4.382 10 50 JICA CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1 8915438 MLOBZDQVNFGMEL-HKWRFOASSA-N 476.627 4.332 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 16266783 SZJMYQJXEQHLFC-MCRQTXEHSA-N 479.583 4.175 10 50 JICA O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 1132567 AULHXJHNYAELDO-RVDMUPIBSA-N 470.268 4.149 10 50 JICA COCCN1C(=O)/C(=C/c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1806111 AJLAIACWSGKSSQ-UYPHOHSBSA-N 480.615 4.024 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169697161 FNMUJZMCLRXZHS-PLOUGOBLSA-N 491.371 4.014 10 50 JICA COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 1181104 SRJZWIUGMCDJHJ-SXGWCWSVSA-N 473.279 4.243 10 50 JICA CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)c(CN3CCOCC3)c12 19830915 HGAKTHVSBICUOU-UHFFFAOYSA-N 473.367 4.416 10 50 JICA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)cc2)cc1 20368326 XCIYUKXUUMEBQT-UHFFFAOYSA-N 496.614 4.399 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 15857461 NCUORUYWMBAJAU-GZQZNAIASA-N 468.531 4.226 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(C)cc(C)c4)C(=O)[C@H]32)cc1 169704347 SPLONVNPEGSDKI-SMIHKQSGSA-N 465.505 4.307 10 50 JICA CC(=O)O[C@@H]1[C@@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 974878 FRDWBYRDTKNHAO-ZUUBQXCWSA-N 456.583 4.048 10 50 JICA biogenic Cc1cc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N=C2O)ccc1Br 1092427 WJOYPQXPUVTLNR-FOWTUZBSSA-N 458.312 4.212 10 50 JICA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 9311369 VZMWRVCIJRDDSZ-MOSHPQCFSA-N 461.430 4.228 10 50 JICA COc1ccc(O)c(CN2CCC([C@@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1 14990977 KRFXQEVTWBLOIO-MUUNZHRXSA-N 495.595 4.228 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 888104035 WGBOYMDQLWXLSL-UHFFFAOYSA-N 487.563 4.415 10 50 JICA COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1[N+](=O)[O-] 2919946 DJEYXXNWDBWDAR-NTUHNPAUSA-N 462.281 4.038 10 50 JICA COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 239415317 UDYXJWBQSYHAGM-BDTNDASRSA-N 487.895 4.044 10 50 JICA CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc(I)c1O 16116163 PXEHAZUFZSIFRF-OVCLIPMQSA-N 466.250 4.341 10 50 JICA COc1ccc(/C=C2/SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 19799232 NJFUWCWDLWKEJQ-DEDYPNTBSA-N 460.024 4.330 10 50 JICA O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 100364857 JFKDROWXZASWRF-ACRUOGEOSA-N 491.421 4.401 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 101481807 ZQFHYGFQOZKDMM-HBMCJLEFSA-N 491.421 4.401 10 50 JICA CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 1164644 ZLFIZFXCACAZQO-YVLHZVERSA-N 463.353 4.456 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169712774 ZOZMIIGYXSSJBB-NWFVXXGESA-N 477.344 4.019 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OCC)cc3)c3ccccc32)SC1=S 2261966 WNZDDVZRNRDIDD-DQRAZIAOSA-N 495.626 4.442 10 50 JICA COc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 2520577 SHXFNBGYHUUZHH-NDENLUEZSA-N 494.642 4.481 10 50 JICA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccc(Cl)cc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 101268013 JZDDPAXVSIKVSU-KMDXXIMOSA-N 477.948 4.466 10 50 JICA CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 8495041 RNJWADZZUUZFLM-HRXHUYTNSA-N 480.546 4.191 10 50 JICA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 18193405 JRPXZVXATHVNCB-UNOMPAQXSA-N 455.923 4.362 10 50 JICA CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 1195044 DNTVTCKEYMSTJT-XNTDXEJSSA-N 475.364 4.078 10 50 JICA COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)o1 32636316 BCJHKKFVOYJZRM-IVTJCWFQSA-N 456.483 4.401 10 50 JICA COc1cc(Br)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O 16194930 PTYLJYONPXRPEF-VGOFMYFVSA-N 467.322 4.477 10 50 JICA CCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 1302689 VGSBNFMSZMMVOE-FXBPSFAMSA-N 490.654 4.375 10 50 JICA COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1 792523 YWCPUEHRSKHKRU-UHFFFAOYSA-N 463.622 4.194 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)cc1 2156129 ZWUXUUHVAPUKTA-CPNJWEJPSA-N 450.292 4.215 10 50 JICA Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9891800 PCELANAUQFZJOQ-YBFXNURJSA-N 461.434 4.122 10 50 JICA CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 1197388 PQHZWVQVQQGTCC-RIYZIHGNSA-N 495.782 4.341 10 50 JICA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 1198569 YUABKYXKXRHVHS-PXNMLYILSA-N 456.292 4.051 10 50 JICA N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1)OCCCO4 877842294 GIPAUGFQNXNQQR-RUZDIDTESA-N 466.545 4.257 10 50 JICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 1125296 FQLHAPIESOCADM-ATVHPVEESA-N 469.316 4.191 10 50 JICA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 1824460 DPYIRVGCJZPBCT-HNENSFHCSA-N 471.991 4.307 10 50 JICA CCOc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 13756877 PLYVGHICJASGJY-HJOGWXRNSA-N 481.504 4.089 10 50 JICA COc1ccc2c3c(n(-c4ccc5occc(=O)c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824519395 FIHAZPVEKXMBGD-UHFFFAOYSA-N 451.434 4.326 10 50 JICA biogenic Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S 2981910 BFKNQIVHSIAYAY-QGOAFFKASA-N 466.360 4.380 10 50 JICA CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(OC)ccc1O)CC2 11814186 GGMBAHBKNCAUNV-FTJBHMTQSA-N 476.573 4.417 10 50 JICA COc1ccc(O)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 14888584 PPKULHRNQJSJSE-XMMPIXPASA-N 491.636 4.185 10 50 JICA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 1185220 MCZQDDFYBLWYHF-XDHOZWIPSA-N 493.313 4.400 10 50 JICA COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101481096 OOEJSZCXCNVFSX-BHDDXSALSA-N 487.895 4.044 10 50 JICA COC(=O)c1c(C)sc(C(C(=O)c2ccccc2)c2sc(C)c(C(=O)OC)c2O)c1O 12372125 IUOWHTCSZQOMAP-UHFFFAOYSA-N 460.529 4.426 10 50 JICA COc1cc(/C=C2\C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCc1ccccc1 16184024 VNESVQKVANSNLU-HMAPJEAMSA-N 478.526 4.327 10 50 JICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1Cl 16247573 ZJGFXGQJCBIHNZ-UYRXBGFRSA-N 476.872 4.234 10 50 JICA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3Cl)C(=O)c3ccccc3C2=O)cc1 239222070 UHVJJAGZCZAETN-BDTNDASRSA-N 471.896 4.344 10 50 JICA COC(=O)C[C@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)c1cccc2ccccc12 409413379 BUJDNJKQUCMNLB-QFIPXVFZSA-N 473.525 4.364 10 50 JICA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 1203833 OSMZAPSTSBMZLK-GZTJUZNOSA-N 497.326 4.239 10 50 JICA O=C1/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 1103619 NSHXKNKAVFRJHR-QLENYVDCSA-N 481.624 4.226 10 50 JICA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 100361050 GXAINUJWJLZRPI-KGNHYALCSA-N 455.521 4.240 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 15276197 FNMUJZMCLRXZHS-LUCIHVKJSA-N 491.371 4.014 10 50 JICA O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 18322404 YGRJJJNHFZCUEP-UFYCRDLUSA-N 484.335 4.427 10 50 JICA CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(Cc1ccccc1O)CC2 14980181 XKFBPLXIEUPKSX-IZLXSDGUSA-N 472.585 4.191 10 50 JICA CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 15746230 ALXPVMHXFSNRBS-SDQBBNPISA-N 469.694 4.110 10 50 JICA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)cc1Cl 101145667 BEFCVRBYNDHUKP-BDTNDASRSA-N 489.886 4.483 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OCCc1ccccc1 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Cc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C)n1-c1ccc2c(c1)OCCO2 2325716664 IVGBNECJYIWENL-FQEVSTJZSA-N 475.593 4.203 10 50 JICA CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1138622 VBGZYQXPERTBBT-ZDLGFXPLSA-N 475.910 4.332 10 50 JICA CC1=CSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=N)N12 6244721 LERADPBOUUYEEZ-TWGBNTOESA-N 459.936 4.275 10 50 JICA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 8779033 LIDBKHGKUNZCOW-GXVDIDEASA-N 492.626 4.248 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100440554 OVLZEBQFRCGGEM-FKBYEOEOSA-N 489.886 4.483 10 50 JICA CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 28629658 LRGPCVUAUBGACB-HMMYKYKNSA-N 494.642 4.243 10 50 JICA Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 1763015 DXCAPVIOSGHGFL-MRCUWXFGSA-N 465.600 4.208 10 50 JICA COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)N(c2cccc(Br)c2)C(=S)N=C1O 15723329 ZTVCNWIXNRLIGJ-MLPAPPSSSA-N 492.307 4.046 10 50 JICA CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc23)CC1 19790401 BURYBRNMKSRZSM-UHFFFAOYSA-N 462.468 4.331 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)c(Cl)c1)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 96299679 JHGQQVKCJCBYCT-HBMCJLEFSA-N 493.849 4.313 10 50 JICA CCOC(=O)C(N=Nc1ccc(C)cc1)(C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1 254825933 ADPHJKAUYHUFTI-UHFFFAOYSA-N 452.916 4.029 10 50 JICA CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1 11859303 TYDUPYDEJLIJOE-HWBMXIPRSA-N 498.505 4.212 10 50 JICA O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18249379 ZQFHYGFQOZKDMM-ACRUOGEOSA-N 491.421 4.401 10 50 JICA COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 2559370 JUJKERPTZAYQOP-UHFFFAOYSA-N 488.496 4.304 10 50 JICA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 2727126 CEHUTNOJSOMDAS-RGVLZGJSSA-N 493.903 4.121 10 50 JICA CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S 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SADMANPJFDITJB-VGOFMYFVSA-N 473.341 4.105 10 50 JICA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 790137 JSOJPJSUSREEFC-UHFFFAOYSA-N 450.476 4.299 10 50 JICA C[C@H](Cc1cncs1)NC1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 12246639 BCTFZSMFFVZZGY-QGZVFWFLSA-N 474.627 4.273 10 50 JICA COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)SC2=S)cc1 15012031 XBJDSIAHIXIMBB-UDWIEESQSA-N 486.596 4.004 10 50 JICA O=C1[C@H]2[C@@H](c3ccc(O)c(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 137915302 JKOBNXOZGUFQCX-ISJGIBHGSA-N 452.466 4.302 10 50 JICA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 16700463 JPFOUYDFNQAIFX-UYRXBGFRSA-N 480.615 4.235 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccccn4)c4ccccc34)[C@@H]21 1772501086 PNQCXSOJVRYGTA-AREMUKBSSA-N 451.530 4.212 10 50 JICA O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 8871695 WMFXEKLTQGSVET-GULXKOIASA-N 496.360 4.228 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]23)cc1 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477.611 4.494 10 50 JICA COc1ccc(N2CCN(C(=O)c3nc(SCc4ccccc4)ncc3Cl)CC2)cc1 8845971 FPHZRWFZHZOCHE-UHFFFAOYSA-N 454.983 4.393 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 9404377 GVYBKVOFZBZPCT-JMIUGGIZSA-N 456.633 4.372 10 50 JICA COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc1C(=O)O 16226241 DSRVKNPGJKZGQZ-STZFKDTASA-N 472.453 4.479 10 50 JICA Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)cc1 8383413 MQPXUZPVJDSDEO-BOPFTXTBSA-N 466.902 4.438 10 50 JICA CCCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2CC)c2ccccc21 8921695 ZJVUPLHBUMPNJC-SSZFMOIBSA-N 485.325 4.318 10 50 JICA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 100723738 IORQHUCVSKRCCL-CCDWMCETSA-N 457.530 4.121 10 50 JICA CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1 660447 HXMVAOBETLEZFA-UYRXBGFRSA-N 462.527 4.444 10 50 JICA COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)C(=S)N=C1O 1153628 FPWRGHLHRJGXIE-WOJGMQOQSA-N 471.966 4.165 10 50 JICA CN1CCCc2cc(CNC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)[nH]c3=O)ccc21 12247895 BJLNVCSYHLGWIK-UHFFFAOYSA-N 484.644 4.142 10 50 JICA COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccccc1O)CC2 14533087 WMTCRPUKGIGRKR-UHFFFAOYSA-N 487.600 4.381 10 50 JICA COC(=O)c1c(S(=O)(=O)Nc2cccc(C)c2C)sc2c1CCN(Cc1ccccc1O)C2 19607638 DFBIOTQEXMEADO-UHFFFAOYSA-N 486.615 4.216 10 50 JICA COc1ccc2c3c(n(-c4ccc5c(c4)ncn5CCN(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 824519511 VKCOOTWVEJKMQY-UHFFFAOYSA-N 494.551 4.131 10 50 JICA biogenic Cn1cnc2cc(NC(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)ccc21 888103989 RBEYVEGWDSIFFI-UHFFFAOYSA-N 474.524 4.100 10 50 JICA O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3947403 VUTFZLVUMNCGOR-UHFFFAOYSA-N 485.521 4.200 10 50 JICA O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 15745699 HJKZPYIZQLCQOV-JCMHNJIXSA-N 480.549 4.111 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(F)cc4)c4ccccc34)[C@@H]21 1772500669 JXGRDPQAPGVICI-MUUNZHRXSA-N 482.559 4.286 10 50 JICA COc1cccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2OC)c1 2966057 SBMLEMLLIVAWKP-LICLKQGHSA-N 451.953 4.304 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCC1 137878124 GHYDESYCDKDWSC-PWRODBHTSA-N 463.917 4.163 10 50 JICA COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 1000462 VGMYNOFONMVLPP-APSNUPSMSA-N 472.291 4.064 10 50 JICA CCN1C(=O)[C@@H](C(c2ccc(Br)cc2)[C@H]2SC(=S)N(CC)C2=O)SC1=S 20607912 JZQBOACRMXDGIE-CHWSQXEVSA-N 489.507 4.030 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(I)c1O 96593633 VDLVSCYSOXYKDL-KPKJPENVSA-N 468.678 4.465 10 50 JICA COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OC(=O)c1cccs1 2990781 ZFYSGVAYMKFLDA-KPKJPENVSA-N 456.364 4.227 10 50 JICA CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)c1 12349969 LASHJLAEPGERTO-HMAPJEAMSA-N 491.544 4.241 10 50 JICA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1I 15798933 LDVAQPOTBXIORW-UHFFFAOYSA-N 453.235 4.319 10 50 JICA CC(C)(C)c1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 13465531 UWSICDZFFNVKSA-FMNVXAMXSA-N 467.678 4.376 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O 16676174 BAHWDLGBNVSDJN-AWNIVKPZSA-N 481.755 4.038 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2533311 HRKTTYVRESJCHB-AXLWBGBUSA-N 456.637 4.095 10 50 JICA O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 1211818 GOFVJJKQFLBKSM-ZHZULCJRSA-N 482.471 4.086 10 50 JICA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)N=C2O)cc1 17112980 ATIGYGFXQQREGY-BOPFTXTBSA-N 466.833 4.178 10 50 JICA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3ccc(C)cc32)S1 8398575 BZVIHROEHSBMSA-UHFFFAOYSA-N 463.602 4.216 10 50 JICA CCCCS(=O)(=O)c1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O 12410825 GGINRALSPRBQCW-UHFFFAOYSA-N 465.502 4.427 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccc(O)cc1 888104804 NVMQCHCIQFTNKQ-UHFFFAOYSA-N 478.552 4.029 10 50 JICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 1167878 AXQKUDMDHTZCOL-ATVHPVEESA-N 469.316 4.191 10 50 JICA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 1176771 RQQYNEBAEOZXAS-UHFFFAOYSA-N 489.391 4.026 10 50 JICA O=C(Nc1ccc2nccnc2c1)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccccc1O 14975123 UXCWPMIZWKKXCA-KNQAVFIVSA-N 457.559 4.104 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18116348 UHVJJAGZCZAETN-FDFHNCONSA-N 471.896 4.344 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[C@H](c4ccccc4)C3)C2=O)cc1 1907818 YGQSUWHXWGPSIS-SLOMDMAXSA-N 452.601 4.303 10 50 JICA COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1 2503799 RZPAJFKSRQKNPR-UHFFFAOYSA-N 461.561 4.158 10 50 JICA CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccc(C)cc1 12413171 GZXIWFWZAGBXET-NRFANRHFSA-N 486.480 4.103 10 50 JICA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCN(c2ccccc2)CC1 13482524 IPGUESVFTCREPO-CAPFRKAQSA-N 472.035 4.280 10 50 JICA COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1cccs1 15823151 OLYDYMCMZWTLGX-AUHFKFJMSA-N 480.449 4.157 10 50 JICA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 16265821 PISYRSAEVKFVDS-LANNQIRMSA-N 499.346 4.316 10 50 JICA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 22309527 QXQUMTGAYBFIGN-YBEGLDIGSA-N 469.993 4.088 10 50 JICA COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 8739660 ZITGWFZXBHJYIO-LDADJPATSA-N 463.402 4.379 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCc5ccccc5C4)c4ccccc34)[C@H]21 253414836 YTQOUHAPCAGZAB-LJAQVGFWSA-N 476.580 4.373 10 50 JICA biogenic COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 15219896 WNIHWBQRMRHTCT-MOSHPQCFSA-N 489.509 4.014 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 16247401 OMNORKTZSVTDOB-QNGOZBTKSA-N 470.481 4.279 10 50 JICA Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=S)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 22496967 LMAZNNYNIZOFOJ-GRSHGNNSSA-N 450.476 4.263 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 8819615 YUWKFRHCCFFCFV-MOSHPQCFSA-N 498.582 4.212 10 50 JICA COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN(Cc4ccc(N5CCCC5)cc4)CC3)C2=O)cc1 20539228 USDNOJFFUOZRDH-LJAQVGFWSA-N 490.648 4.061 10 50 JICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 100499748 KXDSHINPCLDVPN-UCQKPKSFSA-N 490.589 4.230 10 50 JICA CC1(C)C(C(=O)Nc2ccc(C3=CC(=S(=O)=O)[C@H](NC(=O)C4C(C)(C)C4(C)C)C=C3)cc2)C1(C)C 263616802 KPYKHRVANNTWKP-LJQANCHMSA-N 496.673 4.479 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12 16266386 PKIUBSSYGUIDMZ-GZTJUZNOSA-N 468.376 4.266 10 50 JICA CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3ccccc3F)C2=O)c2cc(Br)ccc21 2298768 IQHANFONTWXKBO-NXVVXOECSA-N 477.336 4.257 10 50 JICA COC(=O)c1c(C)sc(C(c2ccc3c(c2)OCO3)c2sc(C)c(C(=O)OC)c2O)c1O 12372137 QJWQCBQQFZSWEC-UHFFFAOYSA-N 476.528 4.320 10 50 JICA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\NCCC(c1ccccc1)c1ccccc1 100401615 GKQGLNREUZPCGA-QJOMJCCJSA-N 459.546 4.269 10 50 JICA CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 2818331 NYRHVFLVOBPMHD-GZTJUZNOSA-N 459.365 4.296 10 50 JICA COc1ccc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1Br 9113083 WFFSLHMBDHWQKS-MLJXOOBISA-N 461.366 4.381 10 50 JICA COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 16247723 QIVFEVUYRSRLCZ-UYRXBGFRSA-N 490.899 4.230 10 50 JICA Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc12 409413127 DHCSEHRBYOAURX-RTWAWAEBSA-N 468.553 4.179 10 50 JICA biogenic Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 1172863 YRYWOLLJBJBQBM-UDWIEESQSA-N 480.318 4.229 10 50 JICA O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc2ccccc12 1215620 NSWYWRMVCASTOW-UHFFFAOYSA-N 467.344 4.096 10 50 JICA O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 18276576 DQUIKWINOANEHY-ACRUOGEOSA-N 463.917 4.163 10 50 JICA CC(C)(C)c1cc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 2082941849 UWSICDZFFNVKSA-CQSZACIVSA-N 467.678 4.376 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCCC3)nc12 33316090 DQIWWVKOIKSWRH-CAPFRKAQSA-N 476.627 4.047 10 50 JICA O=C1/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 1103621 NSHXKNKAVFRJHR-LUJRCDHRSA-N 481.624 4.226 10 50 JICA COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O 13602671 IOQGSTMJNFWAQC-ZSOIEALJSA-N 467.322 4.477 10 50 JICA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Br)cc1 1004910 OAZRLERDZQUEPX-RQZCQDPDSA-N 494.388 4.323 10 50 JICA O=C(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 3152345 UGAZCYYFCSPXSO-UHFFFAOYSA-N 458.018 4.094 10 50 JICA O=C(O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 16700966 CCQNJRDDTYEXTJ-HNENSFHCSA-N 472.975 4.323 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccccn4)c4ccccc34)[C@H]21 1775971967 PNQCXSOJVRYGTA-SANMLTNESA-N 451.530 4.212 10 50 JICA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1 1198792 QKULCPWCAWDDNY-UHFFFAOYSA-N 467.344 4.096 10 50 JICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(c2ccccc2)CC1 6457374 ATEOONBJGLDOOF-KNTRCKAVSA-N 457.646 4.078 10 50 JICA CC(C)Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)s1 8738634 VWLBGKHIRHUEGE-JYRVWZFOSA-N 497.465 4.339 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)ccc1OCC(=O)O 16226046 VFISXAQMGTXRTA-QPEQYQDCSA-N 479.272 4.362 10 50 JICA COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccc3cccnc3c2O)cc1 1848443466 UUHWGBGYSOWCKF-JOCHJYFZSA-N 458.514 4.241 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 19877701 AODNDOZXWAGNBK-GZTJUZNOSA-N 452.875 4.130 10 50 JICA Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)N=C2O)c1 17058360 YNFJTHRUFFSVBU-BOPFTXTBSA-N 450.834 4.477 10 50 JICA COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 1152900 RMUFWRBFJBNDTQ-ZDLGFXPLSA-N 475.364 4.452 10 50 JICA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1Cl 12363060 DLUIMONDXBCDPF-JYRVWZFOSA-N 465.756 4.251 10 50 JICA O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NCCc1ccccc1 15746380 KMTWXAJACCNQPY-SFQUDFHCSA-N 461.406 4.009 10 50 JICA COc1ccc(N2CCN(C(=O)CC/C(C)=C/Cc3c(O)c4c(c(C)c3OC)COC4=O)CC2)cc1 217593502 LRXYEHWAOUJZLP-BLLMUTORSA-N 494.588 4.006 10 50 JICA biogenic COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(C)(=O)=O 16193429 NDMRSXKQJCPIOJ-DHDCSXOGSA-N 473.956 4.232 10 50 JICA CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(OC)cc2)SC1=S 2978261 WYHSDDWHUJCOFA-UYRXBGFRSA-N 460.533 4.282 10 50 JICA COc1ccccc1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500856 MYQPJFJQTCXLLR-MUUNZHRXSA-N 480.568 4.113 10 50 JICA COc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 2601180 DIDMDNMAQKXASF-UHFFFAOYSA-N 481.979 4.305 10 50 JICA CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C(=O)N=C2S1 13810158 OXFSQHFCHSMMJX-XJKKKVNGSA-N 498.586 4.272 10 50 JICA O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1C(=O)c1ccccc1 408718261 GDLYURZCHNACFD-GXDHUFHOSA-N 451.310 4.333 10 50 JICA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(I)o1 1212191 IBVPZHOIUAVYOA-SOFGYWHQSA-N 493.109 4.022 10 50 JICA COc1cc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 9019740 BKZGLGWSLLCQHV-HZHRSRAPSA-N 489.572 4.496 10 50 JICA COc1ccc(N2CCN(Cc3nc(NC[C@@H]4CCCO4)c4ccc(Cl)cc4n3)CC2)cc1 20599629 KQVQOABKVBNMRS-NRFANRHFSA-N 468.001 4.205 10 50 JICA O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC(=S)N1Cc1ccc(F)cc1 1138772 HHUBEINAWFHWOQ-UNOMPAQXSA-N 450.451 4.192 10 50 JICA O=C(CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccc2nsnc2c1 13324562 CNPQFZHVEBZBMJ-UHFFFAOYSA-N 459.575 4.031 10 50 JICA COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1775971655 KMZLWRQZOUMCGR-MHZLTWQESA-N 466.541 4.436 10 50 JICA CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 9333855 ALKMQNMEQHWLTC-KFGVSYDZSA-N 465.491 4.082 10 50 JICA Cc1c(-c2ccccc2)c(=O)oc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc12 217537793 DWWWCPBCEMNQEB-AZUAARDMSA-N 454.526 4.255 10 50 JICA CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(OC)c4O)N(c4ccccc4)O[C@H]3C2=O)cc1 229998376 GJVVOBSDBLTNQQ-JBRSBNLGSA-N 474.513 4.241 10 50 JICA O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 665122 RFKVTUQDNZYYHP-GZTJUZNOSA-N 497.326 4.239 10 50 JICA CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(C3=N[C@H](Nc4ccccc4Cl)[SH]=C3)OC2=O)C(=O)O1 252427255 YXZOHTUVKJCQJC-OBAATPRFSA-N 481.014 3.972 10 50 JICA Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c3ccccc23)cc1 825936 CZYIJCOIAUNXRV-UHFFFAOYSA-N 453.541 4.487 10 50 JICA CCn1cc(Cl)c(C(=O)N2N=C(c3ccc4c(c3)OCCO4)C[C@H]2c2ccccc2O)n1 654045 KQXCQRZJIHOAHK-SFHVURJKSA-N 452.898 4.025 10 50 JICA COc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 12032338 DBJUEYYTZAHFBT-CXUHLZMHSA-N 463.378 4.298 10 50 JICA CCN(CC)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1 8687345 PDGPVPNCIQNQKH-UHFFFAOYSA-N 463.549 4.073 10 50 JICA aggregator COc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 13570135 MJQUHJIPIMGTIL-LICLKQGHSA-N 467.821 4.183 10 50 JICA COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc(OC)c1OC 15836806 GNDYOEDEPJJPBG-SRMUTFMASA-N 456.911 4.033 10 50 JICA COc1ccc(CN2C(=O)/C(=C\c3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 16247687 VJBRWGNHVTWUDB-XSFVSMFZSA-N 492.626 4.459 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCCC3)nc12 33315735 LTTDLTQYEAXGJD-NBVRZTHBSA-N 454.621 4.137 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2049422715 KQNVRYPVBKRLNG-UHFFFAOYSA-N 480.889 4.267 10 50 JICA CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 14882260 NDOSNVVMILEAKJ-DEOSSOPVSA-N 467.013 4.375 10 50 JICA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1F 16266013 XLTVGWJFFRORGR-ODLFYWEKSA-N 483.546 4.363 10 50 JICA CCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)s1 1772500707 KKNNPLBUMNKQNK-XMMPIXPASA-N 486.601 4.231 10 50 JICA CN(C)c1ccc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)cc1 12048030 CKZMBDXQOPNSSI-UHFFFAOYSA-N 472.633 4.026 10 50 JICA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 13548427 INEVCCUQJDEUCE-WOJGMQOQSA-N 464.821 4.102 10 50 JICA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 13551144 IMBZPAJQYQXPKQ-VCHYOVAHSA-N 464.821 4.102 10 50 JICA CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(C)cc2)C(=O)c2ccccc2C1=O 239073211 GTCLVGMPMNVHHV-VXNXHJTFSA-N 481.504 4.089 10 50 JICA CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21 15799640 ZNDICSKLQOIRBI-LFIBNONCSA-N 451.479 4.015 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 101099892 DWVIMUKLUCBMSU-PWRODBHTSA-N 457.869 4.035 10 50 JICA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)cc2)C1 918118405 RDLXODXCTNFEOV-QYXCYVSSSA-N 494.639 4.485 10 50 JICA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2208757 KKQKQYFBKJTKCB-MHWRWJLKSA-N 454.797 4.104 10 50 JICA O=C1NC(=S)N=C(O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2829677 WTVAJTUJFSMWMV-UHFFFAOYSA-N 485.481 4.462 10 50 JICA COc1ccc(O)c(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1 14988297 BWGFCEHXMATXGR-MHZLTWQESA-N 498.023 4.210 10 50 JICA COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c1 227111117 AUTGLVLNFHIWBB-VSKRKVRLSA-N 487.895 4.044 10 50 JICA CC(=O)O[C@@H]1[C@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 676886 FRDWBYRDTKNHAO-CQUZACSDSA-N 456.583 4.048 10 50 JICA biogenic N=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 6369425 RTFCYHIXKKUEHE-NEVNILGMSA-N 488.550 4.122 10 50 JICA O=S(=O)(Nc1cccc(N2CCC(NCCc3cccs3)CC2)c1)c1ccc(F)cc1 11839888 QWUUZKBWBQZYEW-UHFFFAOYSA-N 459.612 4.489 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1nc2ccccc2[nH]1 888104730 JDRKXKGXEFKFFU-UHFFFAOYSA-N 488.551 4.157 10 50 JICA COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 22358316 JAQWYZXFFAQXPG-XQNSMLJCSA-N 486.524 4.123 10 50 JICA CC1(C)CC(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)CC(C)(C)N1 100552541 NDZXGEYGHJQFCB-ACCUITESSA-N 451.518 4.344 10 50 JICA COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 12382179 MADAFKIUIQSSAF-IFSHFEHQSA-N 498.586 4.128 10 50 JICA COc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 15723262 JHUDEJXREKGWPI-YVLHZVERSA-N 453.838 4.287 10 50 JICA CCOc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F 2863867 RKVCHTAJVFWKTD-SXGWCWSVSA-N 465.344 4.253 10 50 JICA CCN(CC)c1ccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12038291 OVKUYTYBLJAVJO-MUUNZHRXSA-N 462.638 4.346 10 50 JICA COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 13893380 GJHJBJDIADNQSF-XLNRJJMWSA-N 481.508 4.395 10 50 JICA biogenic CCCN(CCCS(=O)(=O)O)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1 100319415 BZRWWAYVITZYRZ-QZQOTICOSA-N 457.350 4.459 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1826360 RIMMVJMQXIEUMH-VXPUYCOJSA-N 469.563 4.183 10 50 JICA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OS(C)(=O)=O 3461447 IUXKOZFEBFXQPM-YBEGLDIGSA-N 469.993 4.401 10 50 JICA CCCCCCN1C(=O)C(=Cc2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)NC1=S 1857525751 UGYFZLFCUWBMQL-UHFFFAOYSA-N 493.629 4.007 10 50 JICA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S 2986278 WFXBIEKNJFIUNV-WQRHYEAKSA-N 463.964 4.465 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 8497063 DZYYBRZBNQEGCC-LDADJPATSA-N 498.538 4.029 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc2ncccc2c1 8450472 IWBKFIBTWUQSNG-CIAFOILYSA-N 480.480 4.037 10 50 JICA COc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(OC)c1OC 13513327 QEMVEBSLXZFSOX-OOYUFVOFSA-N 468.560 4.222 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 2977070 FNBHKGVZFWOPFM-XQNSMLJCSA-N 458.514 4.231 10 50 JICA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1F 33571598 XLTVGWJFFRORGR-YBFXNURJSA-N 483.546 4.363 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 12632201 JHGQQVKCJCBYCT-PCCBWWKXSA-N 493.849 4.313 10 50 JICA COc1ccc(O)c(CN2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1 14988294 BWGFCEHXMATXGR-HHHXNRCGSA-N 498.023 4.210 10 50 JICA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1O 9933361 NTDAYASFYOMURL-XGICHPGQSA-N 472.147 4.293 10 50 JICA O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 15837070 DDZMVXUWRKMTAW-BJMVGYQFSA-N 456.079 4.128 10 50 JICA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl 15010692 VHOZTIROHLHBKT-NVNXTCNLSA-N 467.772 4.378 10 50 JICA COC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1OC 1176885 SYKBYTXZKVXDBX-XYOKQWHBSA-N 495.340 4.225 10 50 JICA CCOC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 15768963 XSUYJRVVNLOVPG-UYRXBGFRSA-N 464.861 4.443 10 50 JICA COc1ccc(Br)cc1/C=C1\C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O 15945514 QEGIMWLJNLNPAK-JJJWLNEWSA-N 455.337 4.434 10 50 JICA COc1cc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)ccc1O 1196213 JTNLDPOCXWILIV-CHHVJCJISA-N 455.344 4.254 10 50 JICA Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1908736 PPRJFMPLFPSCRH-SILNSSARSA-N 492.626 4.105 10 50 JICA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2283709 VBUPOIGBWXIZNG-GUBFPNNNSA-N 499.614 4.067 10 50 JICA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1C 11785531 CCSXXWQUILQPCN-UHFFFAOYSA-N 459.590 4.029 10 50 JICA COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC 1217209 MAQFWQGXKOTNMZ-CAOOACKPSA-N 496.969 4.345 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OC(C)=O 13914929 QSSMKXATUSMGIN-MFOYZWKCSA-N 487.306 4.277 10 50 JICA COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253412327 QQCKPAHTYHNRMO-INIZCTEOSA-N 475.900 4.004 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 2977750 YOAKYKDHZXKPGX-CJLVFECKSA-N 458.514 4.231 10 50 JICA COC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 253405426 IGYKZTZTIODONW-MHZLTWQESA-N 494.551 4.214 10 50 JICA biogenic COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccccc3)cc(C(C)C)c2O)cc1 2503811 HHOLMYGJUJBQKO-UHFFFAOYSA-N 475.588 4.466 10 50 JICA CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)NC(=O)NC3=O)ccc21 2829481 VHHYYAARFMAODN-UHFFFAOYSA-N 475.508 4.417 10 50 JICA COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1 54254224 UATLPVKQYCUWDX-UHFFFAOYSA-N 463.965 4.340 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2nc[nH]c2c1 888103930 LSZFCVLXUWPOSN-UHFFFAOYSA-N 460.497 4.089 10 50 JICA Cc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1-c1ccc2c(c1)OCCO2 2325728305 ZBRUAHDNRWQOJH-UHFFFAOYSA-N 476.445 4.181 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCC1 101861541 YGRJJJNHFZCUEP-XUVXKRRUSA-N 484.335 4.427 10 50 JICA O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O 4149952 WUGANDSUVKXMEC-UHFFFAOYSA-N 468.350 4.285 10 50 JICA in-vitro CN(C)c1ccc(/C=C/CN2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 11786521 NDDXVURGLVBLMH-VUWBKCNESA-N 464.585 4.128 10 50 JICA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 16729792 YILALMHIAAYXNG-UNEBPCJRSA-N 450.585 4.292 10 50 JICA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 22185043 FJIVVGRSIGEJJG-RIYZIHGNSA-N 465.756 4.333 10 50 JICA COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)c2ccccc21 15745786 DCFXAUVTMZPAGW-LICLKQGHSA-N 496.317 4.392 10 50 JICA CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18116247 GTCLVGMPMNVHHV-KMDXXIMOSA-N 481.504 4.089 10 50 JICA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C(=O)N1Cc1ccccc1 100713572 VHNYTVCNKBKVSK-FDFHNCONSA-N 479.330 4.201 10 50 JICA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 13092538 CJLVTRGTQDAGEV-MOSHPQCFSA-N 495.582 4.232 10 50 JICA O=C1[C@@H]2[C@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 100414392 IOPYRMOSEZCPQF-FKBYEOEOSA-N 489.886 4.170 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18116350 UHVJJAGZCZAETN-FKBYEOEOSA-N 471.896 4.344 10 50 JICA COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 101833675 PDNGQAVQNRZYFD-BDTNDASRSA-N 487.895 4.044 10 50 JICA COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 1154056 IKBVBIUXYXUZKJ-RIYZIHGNSA-N 469.213 4.143 10 50 JICA CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 13801573 ITNCUXODLYMCBV-DQRAZIAOSA-N 495.626 4.298 10 50 JICA Cc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1Cl 15658604 IEJUZSVZVPQRNT-WQRHYEAKSA-N 454.914 4.254 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 100370070 DQUIKWINOANEHY-HBMCJLEFSA-N 463.917 4.163 10 50 JICA CCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 1828456 BPKFJQWMHWBBIR-MNDPQUGUSA-N 464.616 4.350 10 50 JICA COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 1801930 QHJRZLKUTVTDBS-VBKFSLOCSA-N 476.649 4.365 10 50 JICA Cc1cccnc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775970852 DUBQPFJJDVADKM-SANMLTNESA-N 451.530 4.130 10 50 JICA O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2049422709 JIENTYPPRFCUSK-UHFFFAOYSA-N 452.875 4.130 10 50 JICA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccc(Cl)cc4)O[C@H]3C2=O)cc1 229968841 JZDDPAXVSIKVSU-RBZQAINGSA-N 477.948 4.466 10 50 JICA COc1ccc(CNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 888105029 VCOKUIFPTJWTRO-UHFFFAOYSA-N 478.552 4.289 10 50 JICA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc12 2971567 UIRAZKRTDNUBNZ-LDADJPATSA-N 451.276 4.277 10 50 JICA CCC[C@@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11790765 SZFUNHHUFFSPMQ-SQHAQQRYSA-N 470.658 4.015 10 50 JICA COc1ccc(N2CCN(C(=O)CC[C@H]3CN(Cc4ccccc4Cl)CC[C@H]3N(C)C)CC2)cc1 14968900 PJUGHLRIPGBEJY-WNCULLNHSA-N 499.099 4.230 10 50 JICA COc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18249346 FDOZYFXBHJPXDW-FDFHNCONSA-N 487.895 4.044 10 50 JICA CCOc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC 15821478 LRUDNVTTYDLPOB-DHDCSXOGSA-N 465.731 4.361 10 50 JICA COc1cc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc(I)c1O 16247056 FPDLUBKJDRFBHB-UHFFFAOYSA-N 492.221 4.000 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1F)C1(O[C@H]2c2ccccc2Cl)C(=O)c2ccccc2C1=O 169683225 XDPJFBDLNDKJSR-HBMCJLEFSA-N 493.849 4.313 10 50 JICA CC1=CC(c2ccccc2)=NC2=S=C(C(=O)CSc3nc(C)cc(-c4ccccc4)n3)C(=O)N12 334156954 RRZUYJJHZQSYAX-UHFFFAOYSA-N 484.606 4.355 10 50 JICA CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18116250 GTCLVGMPMNVHHV-HJOGWXRNSA-N 481.504 4.089 10 50 JICA O=C([C@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2cccs2)CC1 12213224 JTTQUINXSZUZOF-AREMUKBSSA-N 478.706 4.295 10 50 JICA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2248229 GVYUQUMLKUTSBQ-LFIBNONCSA-N 452.875 4.130 10 50 JICA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)c1 2978530 SUHPZMXZWAUUNC-CPNJWEJPSA-N 450.292 4.215 10 50 JICA COc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2)N(C)Cc2cn(C)nc2C)CC1 11839496 IYPBWBKWPJGOEP-AREMUKBSSA-N 462.638 4.398 10 50 JICA COc1ccc([C@@H](C[N+](=O)[O-])C2(c3ccc(OC)c(OC)c3)C(=O)c3ccccc3C2=O)cc1 838870 XUKUGAAXOXZCIB-OAQYLSRUSA-N 461.470 4.090 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 9183559 ZQFHYGFQOZKDMM-PCCBWWKXSA-N 491.421 4.401 10 50 JICA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 2930145 CSRQCMWRXQPYSN-BOPFTXTBSA-N 481.258 4.074 10 50 JICA CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]23)cc1 18182607 PQCDRZGHTNVNDA-VJBWXMMDSA-N 469.468 4.083 10 50 JICA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)c(C)c1 6269226 ALYLEJFZPPPDGX-SFHVURJKSA-N 487.496 4.285 10 50 JICA Cc1cc(/C=C2\C(=O)N=C(O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccnc1 13810419 LMCRGJLRZODBDQ-VXLYETTFSA-N 465.307 4.122 10 50 JICA COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)c(OC)c1 16511810 VWRRCAYKMYXVAP-HKWRFOASSA-N 474.538 4.461 10 50 JICA CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 239331301 KLJUGHVACAWNIN-ZRBLBEILSA-N 469.468 4.083 10 50 JICA COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 245312008 RQHRUNVIBHBZCX-YIPGRGJBSA-N 482.511 4.397 10 50 JICA COCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)cc2)SC1=S 2279078 CZOXFUOYXSLYCI-JSNWSPKXSA-N 455.557 4.162 10 50 JICA O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2688809 DWNKPPFBBDSPMH-MRCUWXFGSA-N 466.584 4.450 10 50 JICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 6645258 DSBZNOZRPWLNBB-BOPFTXTBSA-N 467.821 4.183 10 50 JICA O=C([C@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2ccccc2)CC1 12056714 KGESDJKPDPCJNU-MUUNZHRXSA-N 472.677 4.233 10 50 JICA CCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 9436155 XYDORVULCZGAEJ-YEZNUIPASA-N 468.560 4.182 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1837131 XRQGNYKLUFQTBA-MRCUWXFGSA-N 465.600 4.352 10 50 JICA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1 2308492 SIEJUTUWEKUJGP-GZTJUZNOSA-N 482.901 4.138 10 50 JICA CCN1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1103720 TUAFQFCIHJDDBW-QLENYVDCSA-N 450.589 4.397 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 1148300 ROCULJZWSQOZGC-VUODPORTSA-N 450.589 4.031 10 50 JICA Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 16805549 ZHUNROCEGYWSAQ-DQRAZIAOSA-N 489.578 4.345 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(F)cc4)c4ccccc34)[C@H]21 1775971441 JXGRDPQAPGVICI-NDEPHWFRSA-N 482.559 4.286 10 50 JICA CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OCC 13896299 ZZSZRVAMAAAPFK-XDHOZWIPSA-N 466.490 4.151 10 50 JICA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 2840221 AULFIGFDKNHLAM-UHFFFAOYSA-N 495.384 4.073 10 50 JICA CCCC1=NN2C(=N)/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 8453041 QODMWTPCMUTCMR-HVZAKDRGSA-N 468.560 4.182 10 50 JICA O=C1NC(=S)S/C1=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 16225434 KAGWAHOQQDEMTB-ZSOIEALJSA-N 490.809 4.359 10 50 JICA CC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4)c(Br)c3)C(=O)N=C2S1 16247128 XXVNRGZZYKHBJW-UJADIJFVSA-N 469.320 4.307 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101133381 UHVJJAGZCZAETN-BHDDXSALSA-N 471.896 4.344 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl 101145669 BEFCVRBYNDHUKP-BHDDXSALSA-N 489.886 4.483 10 50 JICA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2287695 FFCKTTJEUPAWMY-DZSVRRGNSA-N 495.651 4.236 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 100764928 LAQIFBSAUCRPMK-LDADJPATSA-N 462.483 4.480 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccccc4)c4ccccc34)[C@H]21 253407188 JQBSQSRPBCEMNV-NDEPHWFRSA-N 464.569 4.147 10 50 JICA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1C 1480061 AYLSYZOUBCZVJI-ODLFYWEKSA-N 465.556 4.142 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36084509 JNBQEJNUKABFIQ-SXGWCWSVSA-N 463.924 4.184 10 50 JICA CCN(CC)c1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 2902734 FWZMMUHPVAKSKN-UHFFFAOYSA-N 462.333 4.168 10 50 JICA O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 16427954 FZYHTCKXSREEBJ-XFFZJAGNSA-N 458.258 4.198 10 50 JICA CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 169617434 QQUUWHSWDJLMMK-SMIHKQSGSA-N 465.505 4.253 10 50 JICA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(CC(F)(F)F)CC4)c23)cc1OC 218613418 GBKLTOKMKMWWHZ-UHFFFAOYSA-N 478.467 4.067 10 50 JICA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)cc2)C1 918118404 RDLXODXCTNFEOV-GGJUFULKSA-N 494.639 4.485 10 50 JICA O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3ccccc3O)CC2)N1CCc1ccccc1 14538303 UQSVKPLMRTVASA-UHFFFAOYSA-N 469.585 4.434 10 50 JICA CCN1C(=O)/C(=C\C=C2/N(CC)c3ccc(S(=O)(=O)C(F)(F)F)cc3N2CC)SC1=S 101955658 DSAKOSBLPJIDNT-KAVGSWPWSA-N 491.582 4.252 10 50 JICA COc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(Br)ccc4O)N(c4ccccc4)O[C@H]3C2=O)cc1 229967864 DEPWPUMCHQMHRH-BHDDXSALSA-N 495.329 4.214 10 50 JICA COC(=O)c1ccc(Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c([N+](=O)[O-])c1 8749205 WQFDRCTYWYCEOH-RQZCQDPDSA-N 460.489 4.013 10 50 JICA COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(Cc4ccc(N5CCCC5)cc4)CC3)C2=O)cc1 20539230 USDNOJFFUOZRDH-GDLZYMKVSA-N 490.648 4.061 10 50 JICA Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 1150042 QXHPLWYTUNAYJF-LDADJPATSA-N 450.589 4.225 10 50 JICA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCSc1cccc2ccccc12 2947108 OUZPENUCCSNQEH-UHFFFAOYSA-N 478.595 4.324 10 50 JICA COc1ccc(C(=O)c2coc3ccc(O)c(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c23)cc1 225418290 MRKJLCHNYSLWDS-MJGOQNOKSA-N 470.525 4.159 10 50 JICA biogenic COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccc2c(c1)OCO2 977357 NYDOHPUVDMRXQN-UHFFFAOYSA-N 460.438 4.185 10 50 JICA CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 8451556 BOJIDOLSUOYBRL-BKUYFWCQSA-N 483.480 4.202 10 50 JICA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCCOc1ccccc1 15723952 ONGOWCDOLNZOMC-PGMHBOJBSA-N 472.497 4.128 10 50 JICA Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 2503807 FSPFNBUJROBXGR-UHFFFAOYSA-N 451.953 4.296 10 50 JICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2cccc(OC)c2OC)cc1 16114992 BTQWOYJWHKCURQ-QNGOZBTKSA-N 459.458 4.455 10 50 JICA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 673270 FXQGWDGVUFWCBW-UYRXBGFRSA-N 464.861 4.443 10 50 JICA CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1 1105686 TYDUPYDEJLIJOE-SLSDLSHTSA-N 498.505 4.212 10 50 JICA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 1774317 KLGINBZVZOJRKK-CYVLTUHYSA-N 464.616 4.269 10 50 JICA CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc(I)c1O 13943095 IFURDGDUQFJPTC-NVNXTCNLSA-N 498.367 4.192 10 50 JICA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O 22239184 HGUOERVZZSOWQC-ONNFQVAWSA-N 486.105 4.137 10 50 JICA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc5sc(C)nc5c4)C3)CC2)cc1 67920685 WHHSEAYQPAMICD-NRFANRHFSA-N 450.608 4.040 10 50 JICA COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 1011735 RGBVQKABZIGQRT-BKUYFWCQSA-N 492.915 4.176 10 50 JICA Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 948874 QCUMYXZYEKDKIZ-UHFFFAOYSA-N 451.953 4.296 10 50 JICA Nc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O 3861401 BYONEXGJEYSLBO-UHFFFAOYSA-N 459.461 4.145 10 50 JICA CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)s1 100503282 WGIQIFRORHYKTB-MOSHPQCFSA-N 496.618 4.237 10 50 JICA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 1170513 OLJCSVZGYWKVQM-UHFFFAOYSA-N 450.878 4.220 10 50 JICA Cc1cc(C)c2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 12062990 SMAOBAJGWQQIOY-NRFANRHFSA-N 454.592 4.254 10 50 JICA CCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26458732 AUSRMEGOSQLIGK-YDAJUHKJSA-N 456.637 4.096 10 50 JICA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc12 1186762 KQXXYKDFIDJQRT-WOJGMQOQSA-N 451.276 4.277 10 50 JICA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1C 8857545 RDQKEXWQXUZHRE-LJQANCHMSA-N 487.496 4.285 10 50 JICA O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 16676219 XPKXLEFIBHBPKU-MLPAPPSSSA-N 482.293 4.377 10 50 JICA Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 8779055 FXTLNZXNLAPPGW-UNOMPAQXSA-N 480.615 4.234 10 50 JICA COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253409591 MBSXESRBIAHAPG-FQEVSTJZSA-N 489.524 4.471 10 50 JICA biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1Cl 6184728 ZBCOUWIVKLSHDW-OCKHKDLRSA-N 477.904 4.451 10 50 JICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 6645252 GFGCTCXEFPQZLE-WJDWOHSUSA-N 467.821 4.183 10 50 JICA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1F 16805334 KWPBTAXWJGGWKL-ZDLGFXPLSA-N 453.520 4.273 10 50 JICA Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)n1 1772500544 HUENNIXCVRZZJC-AREMUKBSSA-N 451.530 4.130 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OCC)cc3)SC2=S)cc1 11847533 OGNSMPGBCFLBGH-HMMYKYKNSA-N 484.599 4.492 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 101099904 UNACIENFPFBHIE-PCCBWWKXSA-N 475.859 4.174 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 9090571 FJRYFEYJEOSABJ-XMHGGMMESA-N 470.572 4.102 10 50 JICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccc(OC)cc2OC)cc1 22258166 XOLOONODNQXEJC-HMAPJEAMSA-N 459.458 4.455 10 50 JICA CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCOCC3)c(O)c(Br)cc21 12411003 OLFCWGZDAIZPQJ-UHFFFAOYSA-N 453.377 4.227 10 50 JICA CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 1802119 GFKGPOWELJQAKG-LCYFTJDESA-N 453.014 4.374 10 50 JICA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 15930941 BPSWRVXHMCJRDA-STZFKDTASA-N 456.454 4.419 10 50 JICA Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 16730534 NSURCXYPKQZIHJ-MRCUWXFGSA-N 465.600 4.208 10 50 JICA O=C(O)CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 2029811 AVWKYNUWDLCVSO-VIZOYTHASA-N 468.339 4.498 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2533310 NQMYOHCHWKMSMT-DGMAUBACSA-N 470.664 4.342 10 50 JICA CCOc1cccc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1O 12037368 LOLCGGOFSLDMLW-VWLOTQADSA-N 490.648 4.428 10 50 JICA O=C(O)c1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCc1ccccc1 16246783 ONOUEYDMSQXEBP-MOSHPQCFSA-N 487.424 4.379 10 50 JICA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)cc2)C1 918118406 RDLXODXCTNFEOV-RGHCOQMCSA-N 494.639 4.485 10 50 JICA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2695425 OHCXVNJUARZIAZ-HNENSFHCSA-N 471.991 4.307 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 9030179 HUAOBUXWNGYADN-VBKFSLOCSA-N 476.649 4.365 10 50 JICA CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)s1 2587471 XQTXULYHCXMJGJ-RAXLEYEMSA-N 497.465 4.483 10 50 JICA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc23)cc1 101274467 AVTCXIWRRFKOKH-UHFFFAOYSA-N 467.572 4.453 10 50 JICA CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 727030 NHWJRVFECDXKMK-UHFFFAOYSA-N 478.401 4.333 10 50 JICA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 1164874 INMSDLNNVYTIPT-STZFKDTASA-N 466.584 4.376 10 50 JICA COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 2503810 AYBZTSWQNHXAME-UHFFFAOYSA-N 475.588 4.466 10 50 JICA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 2930606 HFQYIZDCGOBWJF-GZTJUZNOSA-N 450.834 4.273 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 15277547 ZOZMIIGYXSSJBB-JFNLIGNMSA-N 477.344 4.019 10 50 JICA CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Cl 1202939 QYBKDXZLMNCKQN-RIYZIHGNSA-N 463.273 4.442 10 50 JICA CC(C)CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1823599 IQEJDWRNVCDSBC-VXPUYCOJSA-N 469.563 4.038 10 50 JICA CN1CCCc2cc(CN3CCC([C@H](Cc4ccccc4)N(C)C(=O)c4ccn(C)n4)CC3)ccc21 299793923 IYUOOQAXDVCWNJ-LJAQVGFWSA-N 485.676 4.398 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1O 22135409 QEYXWBTWBYJSGG-SXGWCWSVSA-N 473.323 4.343 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc([N+](=O)[O-])c1O 1178065 RZMZHPPEZHADQE-WZUFQYTHSA-N 499.785 4.038 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 2119466 DVUYRHITJLAVJP-BOPFTXTBSA-N 452.875 4.130 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 13774715 GDDPASFNBPRCSD-JWDQFBDLSA-N 498.674 4.150 10 50 JICA COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409414091 NSWOFHSNTIUZCY-MRXNPFEDSA-N 475.900 4.004 10 50 JICA CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 16731538 IMBJNQHZDZZQMN-MSUUIHNZSA-N 497.436 4.422 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100428716 GCUYOEKSCGUNQG-FDFHNCONSA-N 471.896 4.344 10 50 JICA COc1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 888090561 IQOMTJHAIVEMCG-MUUNZHRXSA-N 480.568 4.113 10 50 JICA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)NC1=S 2240781 WDWTWYAKXVDZJP-LFIBNONCSA-N 466.902 4.438 10 50 JICA O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 263615980 GIQZITMDKNKEEL-UHFFFAOYSA-N 473.765 4.272 10 50 JICA CN(C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1 1772501693 ZLFKKMMBFQJGTR-HHHXNRCGSA-N 450.542 4.451 10 50 JICA CCCCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 2695552 OWMLLUFPBUVIOH-NXVVXOECSA-N 483.409 4.032 10 50 JICA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 13546642 BZDITCDJMDQMLD-BOPFTXTBSA-N 481.848 4.492 10 50 JICA CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 9348170 KBSANFCWDJLOKN-ZUGBYVCQSA-N 479.518 4.472 10 50 JICA CCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 19800571 GVFRCDUVZZBMSH-MSUUIHNZSA-N 457.964 4.013 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl 239305870 GCUYOEKSCGUNQG-BHDDXSALSA-N 471.896 4.344 10 50 JICA CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 2586766 QDBNEWJHSMVXLS-RAXLEYEMSA-N 453.014 4.374 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100414800 BEFCVRBYNDHUKP-FKBYEOEOSA-N 489.886 4.483 10 50 JICA COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 238900788 JZDDPAXVSIKVSU-WXFUMESZSA-N 477.948 4.466 10 50 JICA O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1I 165006068 SUTPPQQRGCCTJR-GXDHUFHOSA-N 451.310 4.333 10 50 JICA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 1182325 UZZYXIJGYPZHMV-DEDYPNTBSA-N 493.313 4.400 10 50 JICA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 1198719 NTJHBEWNRJYXNZ-UHFFFAOYSA-N 467.344 4.096 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1867840 PBDGUWDFMDZZME-MRCUWXFGSA-N 465.600 4.352 10 50 JICA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3Cl)C(=O)c3ccccc3C2=O)cc1 239173736 OOEJSZCXCNVFSX-BDTNDASRSA-N 487.895 4.044 10 50 JICA C[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)c1nc2ccccc2[nH]1 1775969050 VHWHBCOJJYLABQ-QGZVFWFLSA-N 488.551 4.328 10 50 JICA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 2995447 UEUGRVVEYRPPLU-YBFXNURJSA-N 494.862 4.423 10 50 JICA COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 888104016 UWZVGCBKJGXZOH-UHFFFAOYSA-N 450.498 4.222 10 50 JICA O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1CCc1ccccc1 1166803 CQIVSMRJPVADBH-WJDWOHSUSA-N 467.353 4.441 10 50 JICA CCCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 15855874 RAWZYOAFIPDUIK-XJKKKVNGSA-N 498.586 4.272 10 50 JICA CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]32)cc1 169694781 PQCDRZGHTNVNDA-ZLNRFVROSA-N 469.468 4.083 10 50 JICA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c12 218084318 ARLYJAQTFQCVQV-UHFFFAOYSA-N 460.486 4.009 10 50 JICA biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C2=O)cc1 16247167 JFYMYUUILHVFAG-QNGOZBTKSA-N 458.445 4.274 10 50 JICA CCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33344609 GUWQNHDNNCKOLR-QGOAFFKASA-N 456.637 4.241 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@H]2C1 888104546 BNJXEKRJWVEHJI-WENCNXQZSA-N 496.611 4.118 10 50 JICA C[C@@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O 3070901 WOOVOFSNZCTXFO-GKVSMKOHSA-N 450.494 4.436 10 50 JICA CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 16247766 PPSHCSWMMWPYQH-VGYDTZGLSA-N 488.319 4.437 10 50 JICA CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1 13570309 FCHQGPXOWZTCRD-DEDYPNTBSA-N 474.469 4.032 10 50 JICA COc1cccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)c1O 299770769 RBCLXNGWTCKFTF-NRFANRHFSA-N 468.623 4.404 10 50 JICA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 15769398 WWNIKMJXCSIJCI-WOJGMQOQSA-N 458.517 4.434 10 50 JICA Cc1cc(C)c2c(N)c(C(=O)OCCN(C)C(=O)c3sc4nc(C)cc(C)c4c3N)sc2n1 12446480 LDMKMCVRCUIZKK-UHFFFAOYSA-N 483.619 4.233 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCCCC3)nc12 33381654 CSZUZWAOFUBTNU-HEHNFIMWSA-N 490.654 4.437 10 50 JICA O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 8584286 KTXSLDOATQLSNH-UHFFFAOYSA-N 479.286 4.196 10 50 JICA CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c1 9311353 JSYZXVVNVOMYKU-AQTBWJFISA-N 463.471 4.085 10 50 JICA Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N(C)C2=S)cc1 2994258 XLVXRDZHUPYWHX-HYARGMPZSA-N 474.542 4.484 10 50 JICA COc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)c(O)c1 11787964 WDAFDDVZSBPKPN-RPBOFIJWSA-N 462.546 4.027 10 50 JICA COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 13898284 FIGPFRJKDKSIPU-GUOILJMFSA-N 464.547 4.409 10 50 JICA Cn1c(CCCC(=O)O)nc2cc(-n3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)ccc21 828512113 CNRCFDZTNJHBPO-UHFFFAOYSA-N 463.493 4.496 10 50 JICA biogenic COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1 1184663 JVTUADAEZJLDPG-UOBPLZBXSA-N 455.557 4.295 10 50 JICA CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 13896710 KVVPEQCWTKNISX-MEOLDJOHSA-N 493.501 4.242 10 50 JICA CS(=O)(=O)Oc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 16192866 SKNYEXJNPOXXLW-DHDCSXOGSA-N 488.381 4.332 10 50 JICA COc1ccc(N2CCN(C(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)CC2)cc1 2769018 JYBGGPKYAYEQRK-UHFFFAOYSA-N 463.488 4.305 10 50 JICA CCC[C@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11790766 SZFUNHHUFFSPMQ-SHQCIBLASA-N 470.658 4.015 10 50 JICA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc2c(c1)OCO2 15746491 FDJPQTNUYBLIBI-APSNUPSMSA-N 477.361 4.018 10 50 JICA O=C1/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC(=S)N1c1ccccc1 30721898 UIJPWAAHRCPQHN-VLGSPTGOSA-N 464.615 4.111 10 50 JICA COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 781579 XLLVCULLOGKYOO-UHFFFAOYSA-N 498.582 4.459 10 50 JICA in-vitro CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1 2282699 JOKRYEUUDUMLGN-CYVLTUHYSA-N 468.648 4.465 10 50 JICA COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 2390560 LQCZGZGCKMRSTC-ODLFYWEKSA-N 480.615 4.233 10 50 JICA COc1ccc2c3c(n(-c4ccc(CCC(=O)O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 824519449 HQHJAWUSTUUEJC-UHFFFAOYSA-N 455.466 4.237 10 50 JICA biogenic CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccccc2)cc1 9382222 OLUNTPOWJDQIQS-XMMPIXPASA-N 462.575 4.116 10 50 JICA COc1cccc(O)c1CN1CCC([C@H](Cc2ccccc2)N(C)Cc2cn(C)nc2C)CC1 11839497 IYPBWBKWPJGOEP-SANMLTNESA-N 462.638 4.398 10 50 JICA COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCC(O)(c4ccccn4)CC3)CC2)c1 12455766 FCYQGGBYBLPJSZ-UHFFFAOYSA-N 486.616 4.295 10 50 JICA CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)cc1OCC 12412108 YYZCUQMHCCHYRA-HAVVHWLPSA-N 467.591 4.285 10 50 JICA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)c1 883642 BVOBAZZBQFQATI-LPYMAVHISA-N 482.496 4.366 10 50 JICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 100502518 RCJJKWCRCWUMAU-BKUYFWCQSA-N 496.980 4.266 10 50 JICA CC(C)(C)c1cc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 2082941848 UWSICDZFFNVKSA-AWEZNQCLSA-N 467.678 4.376 10 50 JICA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C 22215808 XNBIGKJBZYIMOK-MHWRWJLKSA-N 475.364 4.076 10 50 JICA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1[N+](=O)[O-] 979894 KZFVGMIGZYIDJI-JAIQZWGSSA-N 478.505 4.281 10 50 JICA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1C 2116819 LEQJJFJTULCSRU-HMAPJEAMSA-N 465.575 4.123 10 50 JICA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2695414 RHMZWNLFLBFMTA-VZCXRCSSSA-N 465.600 4.270 10 50 JICA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1 15723988 CLHHPVRDTYDKJM-UNOMPAQXSA-N 455.923 4.362 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2388404 GDDPASFNBPRCSD-POHDFXHOSA-N 498.674 4.150 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C 2977092 BIFQGXYQIHUZDT-CJLVFECKSA-N 458.514 4.231 10 50 JICA O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 16662262 AZSOBCMLCXWUEG-LWLPBDFMSA-N 484.418 4.097 10 50 JICA COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5cc(Cl)ccc5O)CC4)c3C2=O)cc1 64103391 HAYXZNNLFKXJPF-UHFFFAOYSA-N 491.975 4.173 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 101099787 LTOAYRCQROIULD-VXNXHJTFSA-N 465.505 4.307 10 50 JICA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 2671370 JPFOUYDFNQAIFX-CPNJWEJPSA-N 480.615 4.235 10 50 JICA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)nc1 9259419 JNARCVDXDMNKBQ-GRSHGNNSSA-N 495.402 4.391 10 50 JICA CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCc4ccccc4Cl)cc3)o2)C(=O)N(C)C1=O 1161591 PBRXHPXEIBXTPQ-UHFFFAOYSA-N 478.888 4.391 10 50 JICA CCC[C@@]1(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 299798258 RQUMVTZAOQUFPK-SVEHJYQDSA-N 495.712 4.074 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4cccc(F)c4)c4ccccc34)[C@@H]21 1772501708 ZXFBHFVSNFNGHD-HHHXNRCGSA-N 468.532 4.244 10 50 JICA Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 2979637 FBNASUDOUVUWRU-CPNJWEJPSA-N 466.360 4.380 10 50 JICA O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccc1C(=O)O 12017074 BKVHATJJHRRLSB-LFIBNONCSA-N 491.388 4.377 10 50 JICA CCCN1CC2=C(NC(=S)N[C@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 15636292 QHBZEXGQUJFOQS-JYACYGOOSA-N 461.679 4.401 10 50 JICA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 13898085 KFERDTOMBGDWJB-CPNJWEJPSA-N 463.602 4.383 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1O[C@H](C)C(=O)O 16115434 WZFPHEBFNGGVRX-YUSFRKCESA-N 458.854 4.097 10 50 JICA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 1178789 IEMVMUGHDXSWFT-PXLXIMEGSA-N 460.461 4.470 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 15012669 JDPPOUXPLXOODT-IIMQCXAKSA-N 468.531 4.171 10 50 JICA COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)cc1 100444208 PDNGQAVQNRZYFD-FSSWDIPSSA-N 487.895 4.044 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccc4)c4ccccc34)[C@H]21 217725237 ZJTSHDKGUZMHHN-NDEPHWFRSA-N 464.569 4.495 10 50 JICA biogenic CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 33682646 CZWIGJABFXSKGY-QFVBLGFASA-N 495.670 4.095 10 50 JICA CCOc1cccc(CN2CCC(c3nnc(SC)n3-c3cccc(OC)c3)CC2)c1O 299755261 DYDIUUMFYSJPBE-UHFFFAOYSA-N 454.596 4.482 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2968767 FOPOSXIYFISPTP-LICLKQGHSA-N 497.935 4.416 10 50 JICA CCN1C(=O)[C@H]([C@@H](c2ccc(Br)cc2)[C@H]2SC(=S)N(CC)C2=O)SC1=S 249690137 JZQBOACRMXDGIE-CLLJXQQHSA-N 489.507 4.030 10 50 JICA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 13571096 FWIOEGMYKBBJMU-WOJGMQOQSA-N 451.822 4.483 10 50 JICA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4C(=O)O)o3)C2=O)c1 16266492 IUVKRFZCARUSNH-WQRHYEAKSA-N 467.275 4.177 10 50 JICA CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc21 1214844 NKAZYRKOIUBXMQ-WOJGMQOQSA-N 451.866 4.365 10 50 JICA CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2695429 ZRGWOTDHKNWBGB-HNENSFHCSA-N 471.991 4.305 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 2980623 FMEMXPHHDZHZCL-YBEGLDIGSA-N 463.606 4.089 10 50 JICA Cc1nn(-c2ccccc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)N(C)C)c2ccccc12 100000898 JIEJOTKGALXEKJ-WCWDXBQESA-N 451.508 4.411 10 50 JICA COc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1217819 HMWXMQBDFUXVOG-YBEGLDIGSA-N 463.378 4.298 10 50 JICA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccccc1 11691739 CTSDDQDYGXRWQH-NJDAHSKKSA-N 465.303 4.206 10 50 JICA COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3C)C(=S)N=C2O)cc1[N+](=O)[O-] 1203945 GVBACBMVCFBYHZ-MDWZMJQESA-N 476.308 4.346 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1773934 KRWGYKPMDLUWLL-VXPUYCOJSA-N 451.573 4.043 10 50 JICA O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1 13543752 SLUCLDMBSGIFHY-LFIBNONCSA-N 462.394 4.464 10 50 JICA CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 19925508 SPKSCISNPVKOLW-XSFVSMFZSA-N 454.548 4.176 10 50 JICA CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OC 1053337 UQFDJRKYVULKEY-RQZCQDPDSA-N 486.908 4.414 10 50 JICA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1 2789039 BOWUNTUMNPGHIU-LDADJPATSA-N 480.860 4.363 10 50 JICA Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C(C)C)C3=O)c3ccccc32)c1 2695195 XZIXEPGBAUPSIF-MRCUWXFGSA-N 465.600 4.269 10 50 JICA COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OS(C)(=O)=O 2990703 OJIXFDVRFIFOLX-CXUHLZMHSA-N 489.518 4.458 10 50 JICA CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cc(Br)ccc3O)[C@H]2C1=O 238950200 XAOGRWMRVCSFFX-KZNAEPCWSA-N 465.731 4.063 10 50 JICA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)cc2)C1 918118407 RDLXODXCTNFEOV-YFVLFDEISA-N 494.639 4.485 10 50 JICA Cc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 25694153 GQTWYYLBEROHDB-UHFFFAOYSA-N 487.331 4.105 10 50 JICA biogenic Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 15745770 WXOZKPZVVQWGIE-HAHDFKILSA-N 494.576 4.420 10 50 JICA COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18209561 OOEJSZCXCNVFSX-FDFHNCONSA-N 487.895 4.044 10 50 JICA COc1ccc(O)c(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@H]2CCCO2)c1 15068151 NWOGVZBOPSZMCJ-JOCHJYFZSA-N 468.623 4.404 10 50 JICA Cc1cc(C(=O)COC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c(C)n1-c1ccc(Cl)cc1 230042267 ILLAIPRRPOYPIW-IEIRFRATSA-N 490.025 4.199 10 50 JICA COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 1844280 HMXYRCKAERNGHO-URTGMZOISA-N 480.615 4.105 10 50 JICA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 16729627 LVHRMRMRQVSFKJ-MRCUWXFGSA-N 465.600 4.270 10 50 JICA O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1 9260983 KWIBJJMNEAPOBZ-LYBHJNIJSA-N 490.629 4.062 10 50 JICA CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OCC 13914926 SDSFXKRZXQANGK-ZDLGFXPLSA-N 486.908 4.185 10 50 JICA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1162132 MYWJYDGKTJJQCM-UHFFFAOYSA-N 494.345 4.185 10 50 JICA Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccnc1 13810378 FOUHSMMAMWAHSV-YBFXNURJSA-N 465.307 4.122 10 50 JICA CCCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1 15855832 AXNLYDJONGINGZ-ANDFITQPSA-N 498.586 4.272 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]23)cc1 96298807 LTOAYRCQROIULD-SGNDLWITSA-N 465.505 4.307 10 50 JICA CC(C)(C)c1cc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 1165283 UWSICDZFFNVKSA-SWEABUAFSA-N 467.678 4.376 10 50 JICA COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(Cl)c1OC(C)C 15746077 BKIMCYRXKJLGQQ-CHHVJCJISA-N 465.731 4.360 10 50 JICA COc1ccc(N2CCN(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccco3)N4)CC2)cc1 918604 HJJCLQKAODSADK-YLJYHZDGSA-N 475.471 4.107 10 50 JICA CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)NC1=S 9295973 ZFMOJRGNSGTXEP-SXGWCWSVSA-N 465.344 4.253 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 12514034 FHCKLYUFCPXINB-YBFXNURJSA-N 463.877 4.112 10 50 JICA CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 868854 RAJXKMYYSHZUBG-WQRHYEAKSA-N 450.347 4.388 10 50 JICA CN1CCCc2cc(CNC(=O)c3ccc(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)[nH]c3=O)ccc21 102454022 MYYJXYPFCHKLNK-DFHRPNOPSA-N 462.638 4.088 10 50 JICA CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)cc1 944057 CTHWLWFERWCGFA-UHFFFAOYSA-N 476.576 4.086 10 50 JICA CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(N2CCN(c3ccc(OC)cc3)CC2)n1 8670969 MLCOUDSAHVZGSZ-UHFFFAOYSA-N 470.961 4.011 10 50 JICA aggregator COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 12342310 HPLKJPVVJPALRN-UDWIEESQSA-N 480.492 4.384 10 50 JICA O=C(CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1)Nc1cccc2nsnc12 13324560 YKUUIKQMBRXBEP-UHFFFAOYSA-N 459.575 4.031 10 50 JICA Cc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S 15745800 XIFQFLZCEOOSAS-JCMHNJIXSA-N 494.576 4.420 10 50 JICA CCC[C@]1(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 299798261 RQUMVTZAOQUFPK-VAVYLYDRSA-N 495.712 4.074 10 50 JICA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 16266537 YVJJOSNUSJJCHZ-CVFAXBIPSA-N 485.909 4.475 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(Cl)cn4)c4ccccc34)[C@H]21 1775971117 FXBXDZBFBIXCAN-VWLOTQADSA-N 471.948 4.475 10 50 JICA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 1105896 CYAKUFKQFGBSPP-FOWTUZBSSA-N 470.323 4.210 10 50 JICA COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 1153505 JECRONSDMBHYIH-WOJGMQOQSA-N 455.898 4.000 10 50 JICA COC(=O)C[C@@H]1c2cc3ccccc3nc2Oc2cc(C)n(CCc3ccc(O)c(O)c3)c(=O)c21 263586172 QVYPVPROGDCBDQ-GOSISDBHSA-N 472.497 4.160 10 50 JICA biogenic O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 16662260 AZSOBCMLCXWUEG-WPBJZHHJSA-N 484.418 4.097 10 50 JICA COc1ccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3CN(C)C)CC2)cc1 299766398 DEPMUSYAPQFDLU-UHFFFAOYSA-N 459.590 4.151 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 22216075 AZRGLCMEMHGHNG-NTUHNPAUSA-N 481.755 4.038 10 50 JICA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccccc1 16805042 COTNAUXEWOPKJO-XKZIYDEJSA-N 494.594 4.385 10 50 JICA COc1ccc(N2CCN(C(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)CC2)c([N+](=O)[O-])c1 16425161 MZHUZKBHACNHCZ-UHFFFAOYSA-N 485.496 4.339 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCCC3)nc12 1164769 LTTDLTQYEAXGJD-JXAWBTAJSA-N 454.621 4.137 10 50 JICA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1Cc1ccccc1 100713576 VHNYTVCNKBKVSK-BHIFYINESA-N 479.330 4.201 10 50 JICA C[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1ccc(N2CCOCC2)cc1 2325776692 MGKUNSMQLAWYSX-AWEZNQCLSA-N 490.789 4.011 10 50 JICA COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)c(C)c1 1148118 XUESJTCSIIZZDO-UNOMPAQXSA-N 464.474 4.012 10 50 JICA CC(C)c1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 888103954 NVGDPEUEJIMMNW-UHFFFAOYSA-N 470.558 4.188 10 50 JICA COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253409593 MBSXESRBIAHAPG-HXUWFJFHSA-N 489.524 4.471 10 50 JICA biogenic COC(=O)C[C@@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)c1cccc2ccccc12 409413376 BUJDNJKQUCMNLB-JOCHJYFZSA-N 473.525 4.364 10 50 JICA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 100361056 GXAINUJWJLZRPI-CCWVLBSLSA-N 455.521 4.240 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 4020062 JFKDROWXZASWRF-PCCBWWKXSA-N 491.421 4.401 10 50 JICA CCCN(Cc1cc(I)cc(I)c1O)CC1CC1 16662905 LLQGWGAUZWPDNN-UHFFFAOYSA-N 471.120 4.223 10 50 JICA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 658588 XXYAHMAKWZFIMM-MOSHPQCFSA-N 450.466 4.375 10 50 JICA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 6189140 NAGUIEDAMCZFOE-PDGQHHTCSA-N 470.363 4.071 10 50 JICA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)C2=O)cc1 6458603 MOWOCIXJXZTYOE-GHRIWEEISA-N 474.498 4.372 10 50 JICA CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 239274820 ASIWZTUQSVPCFO-VXNXHJTFSA-N 481.504 4.089 10 50 JICA O=C(c1ccc(F)cc1)c1coc2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c12 253414113 WNFHFICIGHUZFJ-AEFFLSMTSA-N 458.489 4.290 10 50 JICA biogenic COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 22358314 KKHZJAXJTRDGRS-RGVLZGJSSA-N 464.453 4.243 10 50 JICA O=C1[C@H]2[C@@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 136629046 CTSDDQDYGXRWQH-PWRODBHTSA-N 465.303 4.206 10 50 JICA COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 245312004 RQHRUNVIBHBZCX-OSSDZZHWSA-N 482.511 4.397 10 50 JICA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 1178944 VXNXOKJTMZRMQD-XSFVSMFZSA-N 452.422 4.464 10 50 JICA O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 15799395 IBAHNZAYNHCCMN-OQLLNIDSSA-N 481.804 4.108 10 50 JICA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1455297 FFCKTTJEUPAWMY-TTYLXTBDSA-N 495.651 4.236 10 50 JICA O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 9144572 KDMZNDVUKZAWNE-FBHDLOMBSA-N 458.514 4.232 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(I)cc3)C2=O)cc1 1151113 WXTDUKQOQLMHQN-CPNJWEJPSA-N 497.292 4.057 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CCCC3)nc12 1167231 DQIWWVKOIKSWRH-SILNSSARSA-N 476.627 4.047 10 50 JICA COc1cccc(C(=O)Oc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2Br)c1 16247127 ZLZOSHYJUCAAIR-XDHOZWIPSA-N 493.313 4.138 10 50 JICA CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 22108584 QBZPQJJMMOITDU-VCHYOVAHSA-N 473.323 4.206 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 888104544 BNJXEKRJWVEHJI-KEEVHDRGSA-N 496.611 4.118 10 50 JICA CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@@H](c1cccs1)[C@]21SC(=S)N(Cc2ccco2)C1=O 245325276 DUBALWYGBWSREQ-YRUKQIKQSA-N 495.651 4.041 10 50 JICA Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)c3cccnc23)cc1 6296210 HNIYEKYDHIZXQN-UHFFFAOYSA-N 468.556 4.191 10 50 JICA COc1ccc(O)c(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)c1 15068148 NWOGVZBOPSZMCJ-QFIPXVFZSA-N 468.623 4.404 10 50 JICA CCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 1173941 WKSHBLAIIYWNEE-WTZVULCFSA-N 452.467 4.083 10 50 JICA O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CCN(Cc4cc(Cl)ccc4O)CC3)ccc2o1 15007091 DOJBLMLPAGTTFR-OAQYLSRUSA-N 484.980 4.184 10 50 JICA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 16183352 JRADGHUKJBSRPH-YBEGLDIGSA-N 487.697 4.263 10 50 JICA C[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1ccc(N2CCOCC2)cc1 2325776693 MGKUNSMQLAWYSX-CQSZACIVSA-N 490.789 4.011 10 50 JICA CCOc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 101850246 PLYVGHICJASGJY-VXNXHJTFSA-N 481.504 4.089 10 50 JICA CCN1C(=O)C(=C/C=c2\c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)N(CC)C1=S 685944747 UTTRKGLGOPRNSA-HAVVHWLPSA-N 467.594 4.264 10 50 JICA NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)sc2c1CCCC2 1902663 HHEHNNXWYYJUBB-UVTDQMKNSA-N 477.658 4.017 10 50 JICA CN(Cc1cc(Cl)ccc1O)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 14992110 IOYVTXGHJPDLLH-LJQANCHMSA-N 460.003 4.135 10 50 JICA CCC[C@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11790764 SZFUNHHUFFSPMQ-RPLLCQBOSA-N 470.658 4.015 10 50 JICA CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Br)c3O)C(=O)NC2=S)cc1 2878846 XSGPFOTUHUFZHL-RIYZIHGNSA-N 481.755 4.038 10 50 JICA CN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1cccs1)[C@]21SC(=S)N(Cc2ccco2)C1=O 245325275 DUBALWYGBWSREQ-GAZXMLTASA-N 495.651 4.041 10 50 JICA CC(C)CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 16730369 YBLADPKQZOZZRI-VXPUYCOJSA-N 469.563 4.038 10 50 JICA CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC 22239152 JMQWWHVIPVEWSO-UUASQNMZSA-N 451.331 4.232 10 50 JICA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-c3cccc(F)c3)cc2)CN1Cc1cc(Cl)ccc1O 64058256 FRLQTHBIFSZSHM-GOTSBHOMSA-N 482.939 4.398 10 50 JICA Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 1875390467 NVTJFQSBMCEMGS-UHFFFAOYSA-N 478.448 4.020 10 50 JICA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 2970473 YPXWOPOENHNCCF-RGEXLXHISA-N 454.324 4.106 10 50 JICA CCN(CC)c1ccc(CN2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12038293 OVKUYTYBLJAVJO-NDEPHWFRSA-N 462.638 4.346 10 50 JICA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 16349481 NOIZVDUABPXIIM-BOPFTXTBSA-N 468.263 4.387 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2158869 MUEXSBZJBRTIHR-LICLKQGHSA-N 497.935 4.416 10 50 JICA CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br 1164052 SXKWVPFAFRMPHP-OVCLIPMQSA-N 493.354 4.217 10 50 JICA CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccccc2)cc1 9382221 OLUNTPOWJDQIQS-DEOSSOPVSA-N 462.575 4.116 10 50 JICA CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)N=C2O)cc1OC 9891822 MPOAIJMAUQDJDP-CPNJWEJPSA-N 480.517 4.441 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5nc[nH]c5c4)c4ccccc34)[C@@H]21 1775965349 ADDPQWCKLGEGTP-HHHXNRCGSA-N 476.540 4.303 10 50 JICA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1 2994885 KXTFCKOVGDISOV-QGOAFFKASA-N 476.872 4.284 10 50 JICA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccccc1 6147836 CTSDDQDYGXRWQH-QHAWAJNXSA-N 465.303 4.206 10 50 JICA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc5sc(C)nc5c4)C3)CC2)cc1 67920687 WHHSEAYQPAMICD-OAQYLSRUSA-N 450.608 4.040 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NC[C@H]3CCCO3)nc12 8779049 MVAUEOTUEDXOHI-MCRQTXEHSA-N 484.647 4.128 10 50 JICA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 15010620 WHRZBHGUYRMBDK-NVNXTCNLSA-N 467.772 4.378 10 50 JICA COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2292182 BVYBBELLIYYHFQ-NXVVXOECSA-N 461.362 4.181 10 50 JICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(I)cc1 22215373 VWPCJUPODWNBJG-CXUHLZMHSA-N 483.352 4.368 10 50 JICA CCC[C@@]1(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 299798255 RQUMVTZAOQUFPK-IRPSRAIASA-N 495.712 4.074 10 50 JICA O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 1889122657 YRFUVNMGRPESGE-UHFFFAOYSA-N 462.600 4.086 10 50 JICA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 19789764 SLZPPYIFSVHUQP-UHFFFAOYSA-N 451.397 4.151 10 50 JICA biogenic O=C1C(=CNc2cc([N+](=O)[O-])ccc2O)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 1230471 BAVNXLNTSPMAED-UHFFFAOYSA-N 456.499 4.052 10 50 JICA Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 1793514 KXJODDAXEREUPK-DQRAZIAOSA-N 489.578 4.345 10 50 JICA CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21 1736958 CWUBJEJSHRSAMC-NXVVXOECSA-N 459.346 4.118 10 50 JICA COc1ccc(N2CCN(Cc3nc(NC[C@H]4CCCO4)c4ccc(Cl)cc4n3)CC2)cc1 20599630 KQVQOABKVBNMRS-OAQYLSRUSA-N 468.001 4.205 10 50 JICA CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(C3=N[C@@H](Nc4ccccc4Cl)[SH]=C3)OC2=O)C(=O)O1 252427253 YXZOHTUVKJCQJC-ABDYDURRSA-N 481.014 3.972 10 50 JICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccccc1Br 1001123 NJVSOOKHRYSMJE-OQLLNIDSSA-N 450.335 4.166 10 50 JICA COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8819602 SAJJXLHSKRQGTJ-UNOMPAQXSA-N 456.545 4.044 10 50 JICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1Cl 8829809 WWKKYASSFFYYAI-WJDWOHSUSA-N 482.901 4.296 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 12032399 XVIDTUIFGZLAAX-FXBPSFAMSA-N 454.617 4.426 10 50 JICA COc1ccc(-c2c(C)oc3c(CN4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1 217538845 NRCKMRJQPMCRBH-AZUAARDMSA-N 484.552 4.264 10 50 JICA O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 1191463 CMGXTGAVNZSKID-UHFFFAOYSA-N 470.106 4.084 10 50 JICA CN(C[C@H]1COCCO1)C1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 12571915 WXHFFEBUNWFTMR-QHCPKHFHSA-N 477.527 4.274 10 50 JICA COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)N=C2O)cc1OC 1199445 WSCPBXOSYNXVDD-LDADJPATSA-N 466.490 4.051 10 50 JICA CCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4F)c(OC)c3)C(=O)N=C2S1 3864217 BZRRLRWIGHZDLP-NLPAIMTQSA-N 452.467 4.083 10 50 JICA Cc1c(Cl)cccc1N1C(=O)N=C(O)/C(=C\c2ccc(OCC(=O)O)c(Br)c2)C1=O 16225725 WOBFJNUSDBULTB-KPKJPENVSA-N 493.697 4.381 10 50 JICA CN1CCCc2cc(CN3CCC([C@@H](Cc4ccccc4)N(C)C(=O)c4ccn(C)n4)CC3)ccc21 299793905 IYUOOQAXDVCWNJ-GDLZYMKVSA-N 485.676 4.398 10 50 JICA COCCN1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1806113 AJLAIACWSGKSSQ-BAACNHRGSA-N 480.615 4.024 10 50 JICA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 666900 PEUYAYRUHCXDPX-BOPFTXTBSA-N 469.316 4.191 10 50 JICA O=C1N=C(O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc2c(c1)OCO2 1830065 MLHAUFHHASTRJO-RQZCQDPDSA-N 474.385 4.018 10 50 JICA Cc1csc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)n1 1218324 QFZLDUUXBGAFHF-SDQBBNPISA-N 454.396 4.054 10 50 JICA CCOC(=O)c1c(CC2C(=O)c3ccccc3C2=O)n(C)c2cc(Br)c(OC(C)=O)cc12 230551294 YLIAHPKUZPZASL-UHFFFAOYSA-N 498.329 4.281 10 50 JICA CCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33345034 XZXSDANOLUIRCQ-SFQUDFHCSA-N 454.577 4.209 10 50 JICA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 693759 VNRKWQPMBDITBG-FOWTUZBSSA-N 454.255 4.045 10 50 JICA Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)ccc1Br 15799972 FSERGKMSIWILLA-YBEGLDIGSA-N 455.264 4.273 10 50 JICA O=C(O)COc1ccccc1/C=C1/C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)N=C1O 20149436 HZPMQQBISLFIJG-KGENOOAVSA-N 472.453 4.236 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O 22239130 ZIAJXUCUJIKKPP-VZUCSPMQSA-N 455.681 4.418 10 50 JICA Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O 8857457 UWWOPKZUXITYPG-UHFFFAOYSA-N 490.559 4.366 10 50 JICA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4ccc5c(c4)CCCN5C)c3C)nc1-2 14984459 AEAPHSLHTQQWDH-UHFFFAOYSA-N 494.599 4.057 10 50 JICA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)cc1C 2483502 RDQKEXWQXUZHRE-IBGZPJMESA-N 487.496 4.285 10 50 JICA COc1ccc(N2CCN3c4ccccc4C[C@@]4(C(=O)N(c5ccccc5)N=C4C)[C@@H]3C2)cc1 248155804 ZAOVBBKSHQSSEA-XCZPVHLTSA-N 452.558 4.356 10 50 JICA C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)C1 8837146 BQRYIMYOMVVOOV-QMBXGQNESA-N 480.615 4.171 10 50 JICA Oc1c(I)cc(I)cc1CN1CCCCCCC1 19635030 ZHNQDSYRLBDTQC-UHFFFAOYSA-N 471.120 4.368 10 50 JICA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 9309906 HVYWPSRBYLBVSG-DHDCSXOGSA-N 478.349 4.197 10 50 JICA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1 9310042 QYZPCBLVJLOODE-HAHDFKILSA-N 478.508 4.255 10 50 JICA COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413356 AYFOLIIVAYZUDE-FQEVSTJZSA-N 489.524 4.471 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 8819465 XMKULRREGBGIJE-UYRXBGFRSA-N 487.559 4.232 10 50 JICA O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccccc1 13799802 AMEHDKXLSXZOBQ-MRCUWXFGSA-N 475.551 4.037 10 50 JICA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1OC 1210033 DJBHCUXUPKZZMS-YBEGLDIGSA-N 479.377 4.013 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 101076104 IOPYRMOSEZCPQF-BHDDXSALSA-N 489.886 4.170 10 50 JICA Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 8439310 FHOBWPZYHXMXCR-UHFFFAOYSA-N 452.504 4.183 10 50 JICA Cc1ccnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1775972274 WCHQNPLVMZMFLR-SANMLTNESA-N 451.530 4.130 10 50 JICA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 1833619 IJFKYRQFAXUNCC-DQRAZIAOSA-N 495.626 4.442 10 50 JICA COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O)c1cccc2ccccc12 253412223 QGNIPSSLEYDTDS-JOCHJYFZSA-N 473.525 4.364 10 50 JICA biogenic Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 22216051 JQBKNWVNYJWGIS-RVDMUPIBSA-N 451.435 4.134 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccc(F)cc1 888104784 MLBKWYZPHRWJNU-UHFFFAOYSA-N 480.543 4.462 10 50 JICA COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O)cc1 2601179 HWTDFMXMFBHMJX-UHFFFAOYSA-N 481.979 4.305 10 50 JICA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 8922398 ZKZUFQLXRBUEBY-UHFFFAOYSA-N 453.436 4.039 10 50 JICA COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1OC 19791706 XCTNASMWSIZMHI-UHFFFAOYSA-N 465.424 4.034 10 50 JICA biogenic CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2 3880297 NZUQEPCQQATCGL-UHFFFAOYSA-N 451.591 4.366 10 50 JICA COCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2390589 QTVVSSPQWRHVTI-JXAWBTAJSA-N 483.640 4.392 10 50 JICA COC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c2ccccc21 15769381 GBSCCORFNMTVOL-RQZCQDPDSA-N 453.907 4.139 10 50 JICA COC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c2ccccc21 1187143 JZWFGPSTPFEVGR-RQZCQDPDSA-N 498.358 4.248 10 50 JICA O=C(O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 16246759 PBEVHCONJYEPGQ-MOSHPQCFSA-N 487.424 4.379 10 50 JICA COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Cl)cc23)N1 205372275 RPJDFROXXPIQAD-LAUBAEHRSA-N 472.925 4.266 10 50 JICA COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 1146111 HMRPTSAPZBMDFC-ODLFYWEKSA-N 456.545 4.044 10 50 JICA COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1 15002743 JKEGUARSIZKIEL-XMMPIXPASA-N 491.636 4.185 10 50 JICA CCOc1cccc(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)c1O 55042414 VMMIHYQGHVMEKD-UHFFFAOYSA-N 463.003 4.132 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C2=O)cc1Cl 16225912 BCDFGPXOOWLOFN-WCIBSUBMSA-N 470.106 4.436 10 50 JICA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 238937232 UNQWRJQUEITUOQ-ULQDDVLXSA-N 467.518 4.038 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5nc[nH]c5c4)c4ccccc34)[C@H]21 1775965350 ADDPQWCKLGEGTP-MHZLTWQESA-N 476.540 4.303 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 16731536 FPMRJNOJZSIUHH-NXVVXOECSA-N 483.409 4.032 10 50 JICA CS(=O)(=O)Oc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 22309896 ZSXYTSAPKQICHT-YBEGLDIGSA-N 484.418 4.189 10 50 JICA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O 1171359 ZEHBNIDNBHUGEP-QGOAFFKASA-N 450.292 4.215 10 50 JICA Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18106823 BWZMTHWUDFZJQE-RJGXRXQPSA-N 485.923 4.339 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Br 1185520 UXWWVCLTSVZWNI-YVLHZVERSA-N 491.388 4.408 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 22034129 PWQOMFXEKIVDSX-NTUHNPAUSA-N 481.755 4.038 10 50 JICA COc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101124091 FDOZYFXBHJPXDW-BHDDXSALSA-N 487.895 4.044 10 50 JICA Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccc5c(c4)CCCN5C)c3C3CC3)n2)o1 299756532 DLVSHTLXJAEKAB-UHFFFAOYSA-N 468.561 4.421 10 50 JICA COCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672162 CTKNGGVUPBUBCB-HNENSFHCSA-N 458.992 4.495 10 50 JICA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 8779035 LIDBKHGKUNZCOW-CIWZPSTDSA-N 492.626 4.248 10 50 JICA C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C1 28467510 BQRYIMYOMVVOOV-FFZOFDPPSA-N 480.615 4.171 10 50 JICA O=C1/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 1144286 JONOARUWKWDPAU-JZJYNLBNSA-N 476.627 4.129 10 50 JICA COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18182691 OOEJSZCXCNVFSX-FKBYEOEOSA-N 487.895 4.044 10 50 JICA CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 8721833 JEOQOUIFXKAMED-PDGQHHTCSA-N 475.357 4.238 10 50 JICA Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 15379114 HWWHFUJPFCASHI-VCHYOVAHSA-N 499.706 4.334 10 50 JICA COc1cccc(C[C@@H](C2CCN(Cc3c(O)cccc3OC)CC2)N(C)C(=O)c2ccccn2)c1 14987181 LCAZRLGDMUJQHP-SANMLTNESA-N 489.616 4.400 10 50 JICA O=S(=O)(O)c1ccc2cc(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1 3954176 XGMFVZOKHBRUTL-QURGRASLSA-N 459.461 4.002 10 50 JICA in-vitro COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 16193437 KWLZOFCDIHTAIK-GUOILJMFSA-N 465.531 4.247 10 50 JICA COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(O)c(C)c2C)cc1 1071922 OGTMFJAOODDSCQ-UHFFFAOYSA-N 481.979 4.305 10 50 JICA COc1ccc(CN2C(=O)/C(=C/c3ccc(I)o3)SC2=S)cc1 1178674 MVDAOXXBZIEKRU-JYRVWZFOSA-N 457.314 4.294 10 50 JICA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1816732 IAOXCSSPJFWOER-AQTBWJFISA-N 450.589 4.226 10 50 JICA CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1821955 QAQNDTGKFUXTIN-HNENSFHCSA-N 471.991 4.305 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)ccc1O 2916313 ZKKIAWLNFSLQAM-IZZDOVSWSA-N 472.147 4.293 10 50 JICA COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)CC2)cc1 16217051 XSGCFVDEFRHLKG-UHFFFAOYSA-N 485.993 4.112 10 50 JICA COc1ccccc1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104745 KJVJWMUTGXAMFD-UHFFFAOYSA-N 478.552 4.289 10 50 JICA O=C1/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33345187 MOXDGCZPRIZGHF-BPKVKKHESA-N 484.418 4.097 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 16247336 ZKZZPASAOCFBKA-JCMHNJIXSA-N 484.508 4.275 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 101099893 INRRJFJUHBKCFZ-BDTNDASRSA-N 471.896 4.344 10 50 JICA CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1 1112558 QWFPFWXHCHURKA-MFOYZWKCSA-N 476.308 4.043 10 50 JICA COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 1183966 MCPSIAFFFDDYTQ-LFYBBSHMSA-N 470.106 4.431 10 50 JICA C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C1 28467508 BQRYIMYOMVVOOV-DEKPZMAWSA-N 480.615 4.171 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245237442 ZOZMIIGYXSSJBB-OVCNXMPXSA-N 477.344 4.019 10 50 JICA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1146489 XVVUUYCPHOTICT-BOPFTXTBSA-N 454.236 4.079 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 16192964 CTJXKXRAQVPGNN-VXPUYCOJSA-N 452.557 4.334 10 50 JICA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(C)CC2)c1O 22920329 CTAJQLLXYYETDN-UHFFFAOYSA-N 474.605 4.486 10 50 JICA CCOc1ccc2c(c1)NC(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 3880375 UITJTMJUSFPGPU-UHFFFAOYSA-N 451.591 4.366 10 50 JICA CN(C)c1ccc(/C=C2/SC(=S)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 19795283 HWOPUSHOOMYRTI-KGENOOAVSA-N 473.067 4.387 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 15723749 OPTVDTJFBLXKDJ-RIYZIHGNSA-N 479.714 4.176 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccncc1 9311841 BRMCNORMCKXITJ-LICLKQGHSA-N 455.301 4.462 10 50 JICA COCCCn1c(C)cc(=O)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1CC1CCCC1 12243059 RWSRUHUEKOIXEC-UHFFFAOYSA-N 465.638 4.238 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4cccc(F)c4)c4ccccc34)[C@@H]21 1772501088 PTIMYEFKINBSCR-MUUNZHRXSA-N 482.559 4.286 10 50 JICA COCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 1793092 GNPNFRQZZKYMDJ-ZCXUNETKSA-N 489.416 4.214 10 50 JICA CN(C[C@@H]1COCCO1)C1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 12571909 WXHFFEBUNWFTMR-HSZRJFAPSA-N 477.527 4.274 10 50 JICA CCOC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c2ccccc21 16264973 ITRLDRQUSRUCTC-WOJGMQOQSA-N 465.893 4.360 10 50 JICA COc1cccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)NC2=O)c1 2961470 DSTDFYKGRNKXKR-LICLKQGHSA-N 466.378 4.404 10 50 JICA CC[C@]1(C2CCN(Cc3c(O)ccc4ccccc34)CC2)NC(=O)N(CCc2scnc2C)C1=O 12166105 IZNWNMCQFUYLIG-HHHXNRCGSA-N 492.645 4.466 10 50 JICA CCOC(=O)COc1c(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cccc1OC 16267414 UUBSDTUNLIFVOR-PDGQHHTCSA-N 459.545 4.052 10 50 JICA Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)c1 1815765 XRGNJCTWNHEDJX-MRCUWXFGSA-N 465.600 4.208 10 50 JICA COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 2248931 JNNKZPBLTOENIY-UYPHOHSBSA-N 480.615 4.024 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 8819462 LALCDJCLSWCKCF-UNOMPAQXSA-N 486.571 4.022 10 50 JICA COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 15799891 LMYNHFMSMIRVAC-LDADJPATSA-N 495.285 4.162 10 50 JICA O=C(O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1 16246786 QSKAFKUWAXSFRR-MOSHPQCFSA-N 458.426 4.176 10 50 JICA C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1849058667 LIDBKHGKUNZCOW-FUHWJXTLSA-N 492.626 4.248 10 50 JICA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)NC1=S 9295982 WUTGGVIFYDKIAO-YBEGLDIGSA-N 462.325 4.014 10 50 JICA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 15223749 QIZMCSBSMVZTDR-GXDHUFHOSA-N 454.797 4.104 10 50 JICA COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 16713751 ACXGEWXDSPYUSI-ZHZULCJRSA-N 494.642 4.161 10 50 JICA Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S 8454197 BAYPANHOPVNOFK-AQTBWJFISA-N 470.392 4.189 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13569995 YBKZWPQIFUIJAX-BOPFTXTBSA-N 453.863 4.340 10 50 JICA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19789771 YTRJDNKFODIREB-UHFFFAOYSA-N 464.440 4.066 10 50 JICA biogenic O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 408822134 FQSZSFDJZIMEGW-RIYZIHGNSA-N 496.307 4.241 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccccc4)c4ccccc34)[C@@H]21 1772500415 CCMDPNZQIORRRW-HHHXNRCGSA-N 450.542 4.105 10 50 JICA COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 18249347 FDOZYFXBHJPXDW-FKBYEOEOSA-N 487.895 4.044 10 50 JICA O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1 100334293 DWVIMUKLUCBMSU-ACRUOGEOSA-N 457.869 4.035 10 50 JICA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 100725721 KMTNZQVQXLDSLR-MHWRWJLKSA-N 476.274 4.072 10 50 JICA O=C1[C@H]2[C@@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 136635108 SEACTRIXNQFUIF-PWRODBHTSA-N 483.293 4.345 10 50 JICA N=C1/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C2SC=NN12 16265083 YYOVCFRWFALALF-WWVMADEKSA-N 459.300 4.416 10 50 JICA Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 1133392 ZCSDDPYIJBZRRO-STZFKDTASA-N 465.575 4.123 10 50 JICA CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 101482522 GTCLVGMPMNVHHV-RBZQAINGSA-N 481.504 4.089 10 50 JICA CCOc1cc(Br)cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c1O 15010786 HWNSOQAKZCKYHI-CHHVJCJISA-N 451.367 4.350 10 50 JICA COc1ccc(N2CCN(C(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)CC2)c([N+](=O)[O-])c1 16215633 PCANUTNZJHFOOW-UHFFFAOYSA-N 485.496 4.339 10 50 JICA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br 1124500 DZDZQAMKAQDRPD-XYOKQWHBSA-N 465.756 4.251 10 50 JICA COc1ccc2c3c(n(-c4ccc5nc(CCC(=O)O)[nH]c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824519495 RZLPPWSJDCDTHD-UHFFFAOYSA-N 495.491 4.113 10 50 JICA biogenic O=C1N=C(O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccc(O)cc1 1150892 YMAJFCYWRMIQIX-BKUYFWCQSA-N 459.414 4.386 10 50 JICA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 2968920 RQPAZYYVPYMLDG-RCCKNPSSSA-N 470.481 4.193 10 50 JICA COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 1172269 USNHEGOFXRUJPK-CPNJWEJPSA-N 482.359 4.080 10 50 JICA CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 227247963 NCMVZFVLJJQUDY-DNVJHFABSA-N 492.919 4.365 10 50 JICA COCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2205474 FIUMOGXTCIJDSS-LGMDPLHJSA-N 469.613 4.002 10 50 JICA CCN(CC)c1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 11786069 WHGDSOWQJOCALQ-VWLOTQADSA-N 454.640 4.317 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)C2=O)cc1 16247547 RBUFTUGXHDQHGK-JCMHNJIXSA-N 458.445 4.274 10 50 JICA CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 11691718 PMOAWJRBTKDRMH-DWKHYPNZSA-N 464.546 4.262 10 50 JICA COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 13898352 XSQAUPHYEVFABO-LDADJPATSA-N 495.285 4.162 10 50 JICA COc1ccccc1CCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971842 OXDCKVJAPIGHSX-LJAQVGFWSA-N 494.595 4.156 10 50 JICA Cc1ccc(-c2nnc(SCC(=O)NCc3cc(C(=O)c4ccccc4)ccc3O)n2C)cc1 1141242 RQKDZIAEFSEKDD-UHFFFAOYSA-N 472.570 4.136 10 50 JICA C[C@@H](Cc1cncs1)NC1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 12246638 BCTFZSMFFVZZGY-KRWDZBQOSA-N 474.627 4.273 10 50 JICA Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C(=O)NC1=S 2827412 GGVIPUIQKSWHES-LFIBNONCSA-N 466.902 4.438 10 50 JICA Cc1cc(C)c2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 12062989 SMAOBAJGWQQIOY-OAQYLSRUSA-N 454.592 4.254 10 50 JICA CCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1Br 16156287 SPJHNOVWWDXISM-NTEUORMPSA-N 460.240 4.263 10 50 JICA Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2585351 YBENCIXUHMXBFM-ZDLGFXPLSA-N 478.555 4.202 10 50 JICA CCOC(=O)N1CCC(NC2CCN(c3cccc(NC(=O)c4ccccc4OC)c3)CC2)CC1 14990552 QEOTWMGVOIPVCC-UHFFFAOYSA-N 480.609 4.127 10 50 JICA CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 15822878 YKHURMGWQNLHDZ-LCYFTJDESA-N 477.286 4.052 10 50 JICA Cc1c(-c2nc(-c3cc(Sc4nccs4)ccn3)nn2[C@H]2CCSC2)cnn1CCN(C)C 1875348270 LCWDUUPUCICYAK-INIZCTEOSA-N 498.707 4.359 10 50 JICA O=C([C@@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2ccccc2)CC1 12056711 KGESDJKPDPCJNU-NDEPHWFRSA-N 472.677 4.233 10 50 JICA COc1ccc(CNCc2cc(NC(=O)c3ccccn3)cc(C(=O)N3CCCC3)c2)cc1C 12453518 CXQQVZWHERGGJN-UHFFFAOYSA-N 458.562 4.177 10 50 JICA O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 16248132 GVXCKECVGKNWAM-HMAPJEAMSA-N 489.528 4.279 10 50 JICA CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1 947681 FQQMZKKSJHNQEZ-UHFFFAOYSA-N 461.547 4.222 10 50 JICA O=C(O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 16266578 PHEXWOGOEJUDMI-HNENSFHCSA-N 472.975 4.323 10 50 JICA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 16160954 ZAGKAOXYKNXBOJ-UNOMPAQXSA-N 475.448 4.419 10 50 JICA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2c1 1777639 LCHBIQIRURBTHV-UHFFFAOYSA-N 464.524 4.018 10 50 JICA COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc(C)c2O)cc1 2601178 BSWNRWBYPXCTOP-UHFFFAOYSA-N 481.979 4.305 10 50 JICA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 16805439 FMPMESLLBFQOQW-MRCUWXFGSA-N 465.600 4.270 10 50 JICA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14531477 GZWZBCLWLUJWHL-YRNVUSSQSA-N 490.648 4.101 10 50 JICA O=C1/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2520585 VKECBDAQCCBXAG-ATVHPVEESA-N 452.561 4.043 10 50 JICA O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(F)cc1 9322217 RUXQEGLRIDXETG-FYJGNVAPSA-N 493.878 4.163 10 50 JICA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccc(F)cc1 16247258 PFTPTRJTIJHIQN-ZSOIEALJSA-N 468.325 4.305 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 18266226 JHSKSUWZQQVEGD-RJGXRXQPSA-N 469.468 4.138 10 50 JICA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1[N+](=O)[O-] 22171049 JMFGPZZRUPLRQT-DHDCSXOGSA-N 478.349 4.197 10 50 JICA COC(=O)COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 9296080 FQJBTGXFXVXONG-ZHZULCJRSA-N 457.573 4.081 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccco4)c4ccccc34)[C@H]21 217678696 ABZHBZAQTACQCJ-SANMLTNESA-N 454.530 4.088 10 50 JICA biogenic O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 222173467 JFKDROWXZASWRF-PWRODBHTSA-N 491.421 4.401 10 50 JICA COCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672164 GAQXHNDAXMBTFW-HNENSFHCSA-N 458.992 4.495 10 50 JICA Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 16156402 LCCCGLBFRKLYMN-QNGOZBTKSA-N 490.654 4.293 10 50 JICA CCn1cc(/C=C2/C(=O)N(c3cc(OC)c(OC)c(OC)c3)C(=S)N=C2O)c2ccccc21 16225451 JMBLZWVPYTWKJN-LICLKQGHSA-N 465.531 4.359 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1cccc(F)c1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 18022233 UNACIENFPFBHIE-HBMCJLEFSA-N 475.859 4.174 10 50 JICA C[C@H](NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)c1nc2ccccc2[nH]1 888104022 VHWHBCOJJYLABQ-KRWDZBQOSA-N 488.551 4.328 10 50 JICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1cccc(Br)c1 2916909 UETYANIPUIFCRE-OVCLIPMQSA-N 450.335 4.166 10 50 JICA CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]23)cc1 18182605 PQCDRZGHTNVNDA-VABKMULXSA-N 469.468 4.083 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 101111390 AYCRGPQMKSJGAF-BDTNDASRSA-N 489.886 4.483 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccccc4F)c4ccccc34)[C@@H]21 1772500431 CPDNOGVKEQZVOZ-HHHXNRCGSA-N 468.532 4.244 10 50 JICA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1 1174052 GIOMCBIWAUOTJF-LDADJPATSA-N 474.425 4.359 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100440562 OVLZEBQFRCGGEM-FDFHNCONSA-N 489.886 4.483 10 50 JICA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 22228761 CVANRVMWPYRJAG-XDHOZWIPSA-N 471.560 4.483 10 50 JICA COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 1171189 JAEHIOKHCKMQGG-CPNJWEJPSA-N 482.359 4.080 10 50 JICA COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253412328 QQCKPAHTYHNRMO-MRXNPFEDSA-N 475.900 4.004 10 50 JICA COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 1128736 PBWCTVDYCHNUCJ-SUMWQHHRSA-N 455.580 4.447 10 50 JICA COc1ccc(CCNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 253414946 ZDLJKWMTBKPWBH-LJAQVGFWSA-N 494.595 4.156 10 50 JICA biogenic CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 1147753 IPCSBTOQHPFXDL-CXUHLZMHSA-N 489.391 4.305 10 50 JICA O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 16731680 SGDVVMYEUSECGP-AQTBWJFISA-N 466.588 4.434 10 50 JICA COCc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ncc(C)c(-c2cccs2)n1 14996152 XOXCFBUHTCKJHE-UHFFFAOYSA-N 488.617 4.158 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 2994476 GYNWWNQVDJSHBY-PXLXIMEGSA-N 470.481 4.193 10 50 JICA Cc1c(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 15800066 OQFVVZVUMJCPFR-XKZIYDEJSA-N 457.461 4.392 10 50 JICA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 16730706 GTMDUVQEEFMJNW-FCQUAONHSA-N 493.654 4.154 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Cl)c1O 2995328 NWIHAKVDLVPQCF-QPEQYQDCSA-N 454.788 4.491 10 50 JICA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 693964 KCDMMEJWVNWSJU-QGOAFFKASA-N 452.333 4.071 10 50 JICA CCOc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 2856492 QSBZDSSDDCPYPT-SXGWCWSVSA-N 465.344 4.253 10 50 JICA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 8843031 GXVKJHLFJYIASB-UNOMPAQXSA-N 486.347 4.163 10 50 JICA CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 6214597 KWXYJTMBWYPVLM-MRXNPFEDSA-N 479.860 4.013 10 50 JICA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1 2163892 NRNJDUCMNOYFPM-GZTJUZNOSA-N 482.901 4.138 10 50 JICA Cc1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1Oc1cccnc1 920044817 XHMNQBWUEORCBP-HXUWFJFHSA-N 459.550 4.206 10 50 JICA COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3ccccc3)c2C(C)C)cc1 3620745 DYCBCRKVDSWDKU-UHFFFAOYSA-N 475.588 4.466 10 50 JICA COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)c1 8819440 ZJWDALKHYPVMNO-MOSHPQCFSA-N 472.588 4.333 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 11617261 BFKPPYHEXQOHRY-CYVLTUHYSA-N 454.573 4.483 10 50 JICA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3cnn(-c4ccccc4)n3)CC2)c1 12047820 OTYRXXZQKMZGNG-UHFFFAOYSA-N 482.588 4.287 10 50 JICA COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413357 AYFOLIIVAYZUDE-HXUWFJFHSA-N 489.524 4.471 10 50 JICA Cc1cc(C)nc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)n1 217684907 RQSGQRPIYBTUCZ-TXTKFYIRSA-N 476.558 4.419 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1O 1116599 GJEDICZMXKTCFG-MLPAPPSSSA-N 479.714 4.182 10 50 JICA COc1ccc(O)c(CN2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1 14990979 KRFXQEVTWBLOIO-NDEPHWFRSA-N 495.595 4.228 10 50 JICA Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C(C)C)C3=O)c3ccccc32)c(C)c1 16729758 SPYJNJMLWFBZBD-MRCUWXFGSA-N 465.600 4.269 10 50 JICA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 9311597 PMTMACIICSWRIZ-NYYWCZLTSA-N 456.079 4.128 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c4ccccc34)[C@@H]21 1772501691 ZHEWJQVMUKGEQT-HHHXNRCGSA-N 499.659 4.214 10 50 JICA COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 13802056 XJFYTWNTCAMQPW-XDHOZWIPSA-N 460.402 4.297 10 50 JICA COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 16212555 RXVGJORWZCPTHF-GNFOSXPUSA-N 456.498 4.497 10 50 JICA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3cccc(Cl)c3)C(=O)c3ccccc3C2=O)cc1 239203239 RZYWYUIXWDWFIH-BDTNDASRSA-N 471.896 4.344 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4cccc(F)c4)c4ccccc34)[C@H]21 1775971971 PTIMYEFKINBSCR-NDEPHWFRSA-N 482.559 4.286 10 50 JICA O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NC1CCCCC1 13424548 SQIIFSKBTCHNEL-VBKFSLOCSA-N 453.427 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4.269 10 50 JICA COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1 13942147 HXRFUGUANPTARN-JWGURIENSA-N 472.497 4.128 10 50 JICA CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 39716374 MUSKAODZTZXALV-APVMCDBPSA-N 456.637 4.239 10 50 JICA CC(C)(C)c1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 13465529 UWSICDZFFNVKSA-RQNDZEIBSA-N 467.678 4.376 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 1186718 YVZUZJWOXTYNDY-ODLFYWEKSA-N 456.545 4.044 10 50 JICA Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 1247481 HLGSLIIJRJRFQB-PGMHBOJBSA-N 490.654 4.437 10 50 JICA COc1c(Br)cc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 1194831 WPAPPOBTXZYMKB-RIYZIHGNSA-N 465.756 4.251 10 50 JICA COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2C(C)C)cc1 2503812 XUJUOIYPCIBZKX-UHFFFAOYSA-N 475.588 4.466 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1C 2810521 HFEMBOIBQSTMLH-HYARGMPZSA-N 470.481 4.247 10 50 JICA CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)NC1=S 9295983 SUIZDMHNXHAKPD-SXGWCWSVSA-N 492.351 4.022 10 50 JICA CC[C@@]1(C2CCN(Cc3c(O)ccc4ccccc34)CC2)NC(=O)N(CCc2scnc2C)C1=O 12166097 IZNWNMCQFUYLIG-MHZLTWQESA-N 492.645 4.466 10 50 JICA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1 15835781 PNZQPEAAFGAUMV-GXSHOAHSSA-N 462.409 4.305 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)[C@H]32)cc1 169616943 LQMRHMABPPMFNT-ZLNRFVROSA-N 485.923 4.339 10 50 JICA COC(=O)C[C@H](c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O)c1cccc2ccccc12 253412224 QGNIPSSLEYDTDS-QFIPXVFZSA-N 473.525 4.364 10 50 JICA biogenic C[C@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O 3070904 WOOVOFSNZCTXFO-CRICUBBOSA-N 450.494 4.436 10 50 JICA CC(C)N1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2cc(Br)ccc2O)C1=O 136357995 XAOGRWMRVCSFFX-OKZBNKHCSA-N 465.731 4.063 10 50 JICA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(Br)ccc1OC 1133491 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465.303 4.206 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 169683221 ZQFHYGFQOZKDMM-PWRODBHTSA-N 491.421 4.401 10 50 JICA O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2407700 POKLAPYLFQIXIW-YVLHZVERSA-N 455.948 4.479 10 50 JICA CN(c1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1)C1CCCCC1 229697270 ZFZHXROEGAARPE-HSZRJFAPSA-N 477.653 4.157 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1O[C@@H](C)C(=O)O 16115433 WZFPHEBFNGGVRX-KPENOIPVSA-N 458.854 4.097 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[C@@H](c4ccccc4)C3)C2=O)cc1 1907811 YGQSUWHXWGPSIS-CBAAQYGVSA-N 452.601 4.303 10 50 JICA CCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 16183036 NXMCHFNPRAGDLK-JUIDXRIDSA-N 478.574 4.499 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2301638 ZXYDCULAMRUUNA-MRCUWXFGSA-N 481.599 4.052 10 50 JICA O=C1N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1 1178200 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4.438 10 50 JICA O=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC(=S)N1Cc1ccc(F)cc1 1138770 HHUBEINAWFHWOQ-XDHOZWIPSA-N 450.451 4.192 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCC1 101102020 DQUIKWINOANEHY-PWRODBHTSA-N 463.917 4.163 10 50 JICA COc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 2390562 WDSTURRFGCDLQT-JAIQZWGSSA-N 494.642 4.481 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 169616998 NGLBNMFWIPUNJF-VSKRKVRLSA-N 471.896 4.344 10 50 JICA CCOc1cccc(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3CC(C)C)c1O 14533790 KKDDTUMVVFDLGZ-UHFFFAOYSA-N 495.620 4.255 10 50 JICA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 16213491 UQQGMSCOCZWAAZ-NTEUORMPSA-N 458.312 4.209 10 50 JICA O=C(Oc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1)c1cccc([N+](=O)[O-])c1 15822286 PBQDROIIWFOZBW-MOSHPQCFSA-N 473.466 4.486 10 50 JICA COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC 15967916 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JICA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 22310872 UPPFPDBQHRACPY-XDHOZWIPSA-N 477.498 4.312 10 50 JICA Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1C(=O)O 2984034 ZOWKQBOGHLMMNO-WOJGMQOQSA-N 495.285 4.382 10 50 JICA CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)NC1=S 9295985 MEULYSDACCZURP-SXGWCWSVSA-N 465.344 4.253 10 50 JICA CN(C)c1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCC2(c3ccccc3)CCOCC2)cc1 11788033 ATPOSSXVPOYALE-AREMUKBSSA-N 461.650 4.219 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 15012997 AHDPRHTVVRYTSC-GZQZNAIASA-N 468.531 4.226 10 50 JICA COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1 8735643 KKCBNUOMWGUQDN-PYCFMQQDSA-N 481.643 4.025 10 50 JICA COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1OC 16116027 YFHZREXOFWKWRX-XDHOZWIPSA-N 460.552 4.463 10 50 JICA CCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26458715 SHKUEBLCGJTJTK-COQDENBGSA-N 470.664 4.487 10 50 JICA 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COc1ccc(O)c(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)Cc2cccs2)[C@@H]3OC)c1 14999317 SSERDWCZDHSILS-SXOMAYOGSA-N 492.641 4.425 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccccc4F)c4ccccc34)[C@H]21 1775970782 CPDNOGVKEQZVOZ-MHZLTWQESA-N 468.532 4.244 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245237440 ZOZMIIGYXSSJBB-MIVHDCIWSA-N 477.344 4.019 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 12604285 YGRJJJNHFZCUEP-SLFFLAALSA-N 484.335 4.427 10 50 JICA CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(C(=O)OCC)c1C 100498851 WQADKWRJKCJLTF-ATVHPVEESA-N 455.536 4.437 10 50 JICA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3cccc(F)c3)C(=O)c3ccccc3C2=O)cc1Cl 101833410 OVLZEBQFRCGGEM-BDTNDASRSA-N 489.886 4.483 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 1186472 NFAZCRFYOZIGCX-ZDLGFXPLSA-N 478.979 4.293 10 50 JICA CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1 8915436 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CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)c1 2979547 KDLAYABYVUQDOW-XSFVSMFZSA-N 480.318 4.305 10 50 JICA COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 222213121 PDNGQAVQNRZYFD-VSKRKVRLSA-N 487.895 4.044 10 50 JICA O=C1/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1828935 MOXDGCZPRIZGHF-WFSQQTBHSA-N 484.418 4.097 10 50 JICA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1 15723858 IXFPPFLKWVPYBB-AWNIVKPZSA-N 460.240 4.186 10 50 JICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)C2=O)cc1 15822188 KJRLODIKLNROKQ-CIAFOILYSA-N 487.468 4.306 10 50 JICA CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C(F)(F)F)oc23)CC1 19791708 WFJCANPJJSXSAA-UHFFFAOYSA-N 492.494 4.339 10 50 JICA biogenic Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)NC1=S 2301875 DSYDHTCEVHUCPE-KGENOOAVSA-N 472.522 4.104 10 50 JICA O=C(CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 13786138 HFKPCYVMXSEZQK-VHXPQNKSSA-N 499.617 4.486 10 50 JICA CCCN1C(=O)/C(=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 1766558 QNLLNRAYAZOBMQ-VZCXRCSSSA-N 490.610 4.017 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC12CC3CC(CC(C3)C1)C2 6148485 METWJYDQGIFTNJ-UKWGHVSLSA-N 470.616 4.092 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)cc3)C2=O)cc1 16247182 MFXIVGAKYHPQDF-HAHDFKILSA-N 470.481 4.143 10 50 JICA Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18106826 BWZMTHWUDFZJQE-VABKMULXSA-N 485.923 4.339 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccccc1F 1118666 HDVLPZDCRXQGLF-GZTJUZNOSA-N 466.852 4.168 10 50 JICA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 1172288 LXRAHKBXEADANO-CPNJWEJPSA-N 482.359 4.080 10 50 JICA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 6508340 BLHBGYNHACZPKQ-JCMHNJIXSA-N 472.497 4.339 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 16790590 AJMISMXTYVBQLD-HNENSFHCSA-N 451.573 4.058 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101117346 RZYWYUIXWDWFIH-BHDDXSALSA-N 471.896 4.344 10 50 JICA COc1ccc(O)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1 14888586 PPKULHRNQJSJSE-DEOSSOPVSA-N 491.636 4.185 10 50 JICA CCC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 8934254 DEYVOXULJAUWCI-UHFFFAOYSA-N 493.628 4.307 10 50 JICA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 100506123 OBCZGQFSICTOQR-AWZKZOKMSA-N 450.436 4.292 10 50 JICA Oc1c(I)cc(I)cc1CN1CCc2ccccc2C1 16662818 UAAXHBRCMFIALM-UHFFFAOYSA-N 491.110 4.160 10 50 JICA Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)c(O)c4)cs3)cc2)n1 2812986 OGKZYNKIGAYRLS-UHFFFAOYSA-N 469.548 4.173 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)ccc1OCC(=O)O 15723054 RHRFEDBJTYEDJV-WQRHYEAKSA-N 452.463 4.179 10 50 JICA NC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc2c1CCCC2 1740723 INLUPNCOKNILMT-RVDMUPIBSA-N 491.685 4.407 10 50 JICA O=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3ccccc3O)CC2)N1Cc1ccccc1 14538626 PNVJJQDEIJIAGB-UHFFFAOYSA-N 484.600 4.219 10 50 JICA N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)N1)OCCCO4 877842303 GIPAUGFQNXNQQR-VWLOTQADSA-N 466.545 4.257 10 50 JICA O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1Br 136602404 MSXMJNKCPKGJFQ-PWRODBHTSA-N 465.303 4.206 10 50 JICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 8714019 RLKBAZHQUVNVID-PYCFMQQDSA-N 465.644 4.325 10 50 JICA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 14741587 ZKBGELJIIBKPBY-UHFFFAOYSA-N 475.637 4.137 10 50 JICA CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)cc1 16247942 PFCIQBNSSXKGFT-UCQKPKSFSA-N 477.542 4.194 10 50 JICA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccccc4C)O[C@H]3C2=O)cc1 229997287 IORQHUCVSKRCCL-ISJGIBHGSA-N 457.530 4.121 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169617438 ODNPTVIUVCTLMU-HBMCJLEFSA-N 457.869 4.035 10 50 JICA COc1ccc(C=C2C(=O)N(c3ccccc3OC)C(=O)N(c3ccccc3OC)C2=O)cc1OC 1509914 HODWERJHNKVSMT-UHFFFAOYSA-N 488.496 4.304 10 50 JICA CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 6214564 KWXYJTMBWYPVLM-INIZCTEOSA-N 479.860 4.013 10 50 JICA CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c1 2307179 XLIGMGXTFXHRMF-FOWTUZBSSA-N 470.478 4.017 10 50 JICA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 16805520 KQCTZVXJSYNMET-MRCUWXFGSA-N 465.600 4.352 10 50 JICA CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N([C@@H](C)CC)C3=O)c3ccccc32)cc1 16730073 MBTGWVFEIUQNLS-WNIYRAMRSA-N 495.626 4.441 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 169703399 NZFFQDAIUUXBRK-PWRODBHTSA-N 475.859 4.174 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2975359 XKRQIIFYWDERTH-DJKKODMXSA-N 481.867 4.251 10 50 JICA O=S(=O)(Nc1cccc(N2CCC(NC[C@@H]3OCCc4ccccc43)CC2)c1)c1ccc(F)cc1 12151584 MFVYRYDWVIDHBB-MHZLTWQESA-N 495.620 4.499 10 50 JICA O=C1N=C(O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1cc(C(F)(F)F)ccc1Cl 16156449 NXHDHWGJMNFXSE-YHYXMXQVSA-N 455.732 4.479 10 50 JICA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OS(C)(=O)=O 16192830 ZCIPVYQVXFNFCQ-WJDWOHSUSA-N 469.993 4.483 10 50 JICA COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1 30819131 GPYYVYINXNMVOX-VZKFJVGXSA-N 486.509 4.431 10 50 JICA C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1849058668 LIDBKHGKUNZCOW-WMZOPIPTSA-N 492.626 4.248 10 50 JICA CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C1=O 101688516 XAOGRWMRVCSFFX-FGTMMUONSA-N 465.731 4.063 10 50 JICA O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1259208 MOXDGCZPRIZGHF-WPBJZHHJSA-N 484.418 4.097 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1C 2302444 MVUNKNIHXPAKLJ-OEAKJJBVSA-N 470.481 4.247 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(Cl)cn4)c4ccccc34)[C@@H]21 1772500474 FXBXDZBFBIXCAN-RUZDIDTESA-N 471.948 4.475 10 50 JICA CCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 12731521 OYMOHKZQAJCCMI-MRCUWXFGSA-N 468.600 4.275 10 50 JICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 15134047 BDZVOHIRHOLFRY-MOSHPQCFSA-N 467.576 4.279 10 50 JICA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C(=O)N1c1cccc2ccccc12 137915408 JKOBNXOZGUFQCX-CCDWMCETSA-N 452.466 4.302 10 50 JICA CN(C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1 1775969153 ZLFKKMMBFQJGTR-MHZLTWQESA-N 450.542 4.451 10 50 JICA CCn1cc(/C=C2\C(=O)N(c3cc(OC)c(OC)c(OC)c3)C(=S)N=C2O)c2ccccc21 33313624 JMBLZWVPYTWKJN-YVLHZVERSA-N 465.531 4.359 10 50 JICA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2967158 NPDUKDYZZDIREN-GXDHUFHOSA-N 470.865 4.269 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 101102023 DQUIKWINOANEHY-PCCBWWKXSA-N 463.917 4.163 10 50 JICA COc1cccc(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1O 14882454 VJAHDOWQARIAAR-MHZLTWQESA-N 498.023 4.210 10 50 JICA O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1Cc1ccccc1 16479694 QJEDCWHSEASSRX-AUWJEWJLSA-N 451.323 4.464 10 50 JICA CC(C)N1C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968634 XAOGRWMRVCSFFX-RCCFBDPRSA-N 465.731 4.063 10 50 JICA O=C1c2cccc(N3CCN(Cc4cc(Cl)ccc4O)CC3)c2C(=O)N1Cc1ccccc1F 59314293 VALRPWALTUFKDO-UHFFFAOYSA-N 479.939 4.303 10 50 JICA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1813968 ZXIROFZCJMWMIF-MRCUWXFGSA-N 465.600 4.434 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 13424545 RPSCHYBLUOUJPD-AQTBWJFISA-N 456.545 4.014 10 50 JICA Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4ccc(N(C)C)cc4)SC3=S)CC2)c1 15799665 TZKPQUWZOHOWGR-CJLVFECKSA-N 452.649 4.042 10 50 JICA CC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 1218054 PWDVEYBYIVCFBJ-YVLHZVERSA-N 475.389 4.492 10 50 JICA O=C(NN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S)c1ccccc1Br 1221248 ZZESFASUCUXBLD-PFKGSKDKSA-N 490.360 4.460 10 50 JICA COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 2695306 SAQMVFXAPCGRER-DQRAZIAOSA-N 493.610 4.195 10 50 JICA Cc1ccc(OCCn2cc(/C=C3/C(=O)N=C(O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 15799959 MZQZXABLVSLBPY-HAHDFKILSA-N 469.497 4.488 10 50 JICA CCCCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 15855793 LLGWHPZVMUKZEH-QVRVXCEOSA-N 468.560 4.264 10 50 JICA Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 33313687 LCCCGLBFRKLYMN-RCCKNPSSSA-N 490.654 4.293 10 50 JICA CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O 1210267 FHKYJLKQZPKZEQ-YBEGLDIGSA-N 479.377 4.100 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169684678 ZPERCSVGAZGCNE-HBMCJLEFSA-N 457.869 4.035 10 50 JICA COc1ccc(/C=C2\SC(=S)NC2=O)cc1COc1ccc(I)cc1 13882304 ZAKNYCGHOKVMOP-SXGWCWSVSA-N 483.352 4.368 10 50 JICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1Cl 13894390 RTTQPVPZDAMDPG-XDJHFCHBSA-N 479.876 4.167 10 50 JICA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O 15745869 APJSTXGPISYTTQ-SDQBBNPISA-N 456.079 4.128 10 50 JICA CC(C)(C)c1cc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O 1758940 UWSICDZFFNVKSA-MPMPPSQCSA-N 467.678 4.376 10 50 JICA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc(Cl)ccc1O)CC2 14746282 RJIPVIUJPAUBMT-UHFFFAOYSA-N 471.001 4.286 10 50 JICA O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 16267292 PSLFNVMOXSXPHM-YBEGLDIGSA-N 457.305 4.129 10 50 JICA COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OC(=O)c1ccccc1 15768751 QUOAVFDFMFBRDI-ZROIWOOFSA-N 497.335 4.008 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2726905 MYAUAPKQJAIKIO-LICLKQGHSA-N 481.867 4.251 10 50 JICA COc1ccc(CN2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c(O)c1 12210824 AZKVXJFNPMZAQX-HHHXNRCGSA-N 498.023 4.210 10 50 JICA COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc(I)c1OC 13914960 QTLFNFZKKVUNMX-SXGWCWSVSA-N 462.287 4.423 10 50 JICA COC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 1128733 PBWCTVDYCHNUCJ-GUYCJALGSA-N 455.580 4.447 10 50 JICA CC(C)CN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 8915525 STTUNCQCZXGXKW-RGEXLXHISA-N 464.616 4.206 10 50 JICA COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1 13774392 JVTUADAEZJLDPG-NNIWKIFQSA-N 455.557 4.295 10 50 JICA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2Br)cc1 15746011 FSHCVHWDTBSCFB-DHDCSXOGSA-N 470.391 4.014 10 50 JICA COCc1nc2ccc(-n3c4c(c5ccc(OC)c(OC)c5c3=O)C(=O)c3ccccc3-4)cc2[nH]1 824475206 MODIDZRSKQWVHO-UHFFFAOYSA-N 467.481 4.242 10 50 JICA biogenic CCC(Br)(Br)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 6461974 COGRPQVVJPVYRW-UHFFFAOYSA-N 451.114 4.297 10 50 JICA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 36094401 YIPZIGIXNVQXOI-WQRHYEAKSA-N 457.533 4.093 10 50 JICA O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 100363857 UNACIENFPFBHIE-ACRUOGEOSA-N 475.859 4.174 10 50 JICA Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)n1 1775971279 HUENNIXCVRZZJC-SANMLTNESA-N 451.530 4.130 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC 22130569 ZGATYJSDZSMOPS-XNTDXEJSSA-N 475.364 4.078 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C)c4C)C(=O)[C@H]32)cc1 169683218 GUHDCRVUMJEXGI-SMIHKQSGSA-N 465.505 4.307 10 50 JICA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 1015692 COJOPFLITSESFD-HMAPJEAMSA-N 474.513 4.347 10 50 JICA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 16265370 NOXOPJLCSOLJGC-CPNJWEJPSA-N 455.492 4.100 10 50 JICA COc1ccc(-c2n[nH]c3c2[C@](O)(C(=O)O)[C@@H](c2ccccc2)[C@@H](c2ccccc2O)N3)cc1 229864894 IEXKLZWNWDLXHF-CLLDFNAGSA-N 457.486 4.014 10 50 JICA Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Br)c1 2826858 ZMSOYGXKMPRSJD-FRYOISGKSA-N 469.320 4.226 10 50 JICA O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 96299680 JHGQQVKCJCBYCT-ACRUOGEOSA-N 493.849 4.313 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccc(F)cc1 888103847 DHHKGRDKVJKDHW-UHFFFAOYSA-N 452.489 4.030 10 50 JICA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 6997633 IYOYAAPEUKIOPP-GDNBJRDFSA-N 455.785 4.314 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCC(C)CC3)nc12 8915493 DLXSMSSATNTAOT-UYRXBGFRSA-N 480.615 4.234 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1 9309950 MHVPIVJFKROQBS-HAHDFKILSA-N 478.508 4.255 10 50 JICA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccn1 9310605 NMOFYSVDPVOJDO-OQLLNIDSSA-N 451.367 4.263 10 50 JICA O=C1c2ccccc2C(=O)c2c1c([N+](=O)[O-])cc1c(N3CCOCC3)cc(-c3ccccc3)nc21 12376945 FQTXLKQNBSYANG-UHFFFAOYSA-N 465.465 4.422 10 50 JICA COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 22216110 BSNYBTJZDKSYRJ-UHFFFAOYSA-N 455.463 4.428 10 50 JICA COC(=O)c1ccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1 1230862 YCLDYGPZXWMHER-UHFFFAOYSA-N 453.539 4.225 10 50 JICA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)c(C)c1 6269238 ALYLEJFZPPPDGX-GOSISDBHSA-N 487.496 4.285 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1C 6858436 LBECLQROHCCHTM-UCQKPKSFSA-N 471.469 4.457 10 50 JICA CC(=O)Nc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 888104062 YPUQSJUCVNMEQB-UHFFFAOYSA-N 477.524 4.171 10 50 JICA COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 8819545 AAPLGUAZOKDACP-ZHZULCJRSA-N 482.583 4.296 10 50 JICA O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2277005 RXSFNMIIAHCXFZ-PDGQHHTCSA-N 480.527 4.123 10 50 JICA Cc1cc(C)c(/N=N/c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1C 4416666 OQQYJPVCDFFEIV-QZQOTICOSA-N 450.494 4.379 10 50 JICA endogenous,in-man CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1ccccc1O)CC2 12165453 CWRHNVJFJSKJHY-FTJBHMTQSA-N 462.615 4.416 10 50 JICA Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33341286 GQMBIJPXSLTYHK-HMMYKYKNSA-N 476.627 4.395 10 50 JICA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2C1=O 2304051 BUYOVLGRFBVVTM-UHFFFAOYSA-N 459.296 4.042 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 16731375 DVXNOHDNNSIFOT-WPCFGXOUSA-N 481.437 4.346 10 50 JICA [N-]=[N+]=N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 38281541 JRYQCEUTVAAQHC-SSGKUCQKSA-N 487.468 4.330 10 50 JICA NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)CC1 1164358 SBHVDRCWZZTTDA-MHWRWJLKSA-N 450.347 4.421 10 50 JICA CCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2520584 MYAZBOJRTNQOFJ-LGMDPLHJSA-N 454.577 4.291 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 8714579 XOSOQFHPLKPAPZ-QGOAFFKASA-N 458.536 4.232 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 169694783 INRRJFJUHBKCFZ-VSKRKVRLSA-N 471.896 4.344 10 50 JICA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1455302 VBUPOIGBWXIZNG-FUNKKEAFSA-N 499.614 4.067 10 50 JICA COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 239105232 IBLDWEXCXNOAAC-BDTNDASRSA-N 487.895 4.044 10 50 JICA Cc1nc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)sc1C 888103856 FLIFOKOXPHYBIL-UHFFFAOYSA-N 455.543 4.286 10 50 JICA CCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 8837953 RBAGGGFXJBXLRL-LTGZKZEYSA-N 452.536 4.176 10 50 JICA CCC[C@]1(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 299798251 RQUMVTZAOQUFPK-ABYGYWHVSA-N 495.712 4.074 10 50 JICA CN(c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O)C1CCCCC1 33600672 UDDYGUILCDCYEE-XMHGGMMESA-N 480.615 4.458 10 50 JICA CCOc1ccc(CCNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1OCC 12412189 MSOVIUCXBNSBBC-UHFFFAOYSA-N 488.496 4.140 10 50 JICA COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 245312006 RQHRUNVIBHBZCX-QNVWVOQGSA-N 482.511 4.397 10 50 JICA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(O)=NC2=S)c(OC)c1 1134720 SZPGIFHLKISQAN-LDADJPATSA-N 478.486 4.074 10 50 JICA C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1 35227665 OWBDUDKUOMANDS-TWQQJCIXSA-N 468.648 4.465 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c4ccccc34)[C@H]21 1775972404 ZHEWJQVMUKGEQT-MHZLTWQESA-N 499.659 4.214 10 50 JICA CN1C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(C)C1=S 1138066 MZODZTOCXZPUJF-UHFFFAOYSA-N 471.785 4.445 10 50 JICA COc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 16247364 ULRNOSYKAJZFTB-BKUYFWCQSA-N 476.872 4.234 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 3890195 DOZXGHRXRFPHEX-LPYMAVHISA-N 486.484 4.427 10 50 JICA COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC 13775024 ROXHSYPFRUHDAL-CPNJWEJPSA-N 472.588 4.251 10 50 JICA CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N([C@H](C)CC)C3=O)c3ccccc32)cc1 16730076 MBTGWVFEIUQNLS-JUUUUTHISA-N 495.626 4.441 10 50 JICA COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1 13424002 JVTUADAEZJLDPG-IZQLPPHKSA-N 455.557 4.295 10 50 JICA Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 2049422721 WEJFVFNDRUODML-UHFFFAOYSA-N 474.498 4.230 10 50 JICA COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 15769350 UJQRVHHLPICCBP-PDGQHHTCSA-N 450.834 4.053 10 50 JICA O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(F)cc1 1172022 TVUHCGKTUZXUJY-MRCUWXFGSA-N 493.541 4.176 10 50 JICA O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 2960573 PRZMOAFDQMFXRY-BOPFTXTBSA-N 478.389 4.356 10 50 JICA CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1213505 WPVNXTQRCGULBQ-UNOMPAQXSA-N 456.545 4.044 10 50 JICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 100148295 QDRYVCYAXOCQPM-HMMYKYKNSA-N 463.471 4.169 10 50 JICA CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(C)=O 8398565 LMPVWEAOGFYISY-UHFFFAOYSA-N 493.628 4.307 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 15012668 JDPPOUXPLXOODT-HIXWQLQUSA-N 468.531 4.171 10 50 JICA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4OC)cc3)CC2)cc1 4199350 BGOFVAOVDRQHKO-UHFFFAOYSA-N 454.548 4.007 10 50 JICA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 11917810 IORQHUCVSKRCCL-DSNGMDLFSA-N 457.530 4.121 10 50 JICA COc1ccc(N2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)c([N+](=O)[O-])c1 12420110 UYWORLSDVYAKQL-UHFFFAOYSA-N 467.503 4.014 10 50 JICA O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13646217 MOXDGCZPRIZGHF-LWLPBDFMSA-N 484.418 4.097 10 50 JICA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1 6226587 QZONATYFZYEZID-ASSGYOTOSA-N 497.620 4.206 10 50 JICA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1 8494913 NJWQSDAECXTHTE-YNUQAMOLSA-N 482.587 4.428 10 50 JICA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 15837048 GOWIOADNQMICOO-ATVHPVEESA-N 464.424 4.219 10 50 JICA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 16805364 NGIMMHSTXGPSEJ-WBOBJJNYSA-N 481.599 4.050 10 50 JICA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1 15769021 URJCHJDLLQVABI-ZROIWOOFSA-N 450.335 4.166 10 50 JICA COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21 2268858 GRCQCTYYVWXQJH-LICLKQGHSA-N 453.907 4.139 10 50 JICA CCOc1ccc(CC2=NN3C(=N)/C(=C\c4ccc5c(c4)OCO5)C(=O)N=C3S2)cc1OCC 12412175 WZPYANCXCXHECH-RSCUXIGJSA-N 478.530 4.075 10 50 JICA O=C1/C(=C/c2ccc(N3CCOCC3)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 1321879 HKYQEALLZOKJMH-ZRDIBKRKSA-N 452.319 4.095 10 50 JICA CCN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33334596 VGSBNFMSZMMVOE-HEHNFIMWSA-N 490.654 4.375 10 50 JICA CCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2364200 AUSRMEGOSQLIGK-QPWAZXNSSA-N 456.637 4.096 10 50 JICA CC1CCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1 1772501374 SZYONWJOAUIFAO-HHHXNRCGSA-N 456.590 4.437 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 22215824 WJXDVSAQHFNZNH-YBFXNURJSA-N 479.945 4.277 10 50 JICA Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c(O)c1C 2503824 QODPGBZNQXMXKU-UHFFFAOYSA-N 451.953 4.296 10 50 JICA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 888104545 BNJXEKRJWVEHJI-PRAQEBQASA-N 496.611 4.118 10 50 JICA COCCN1C(=O)/C(=C\c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1806109 AJLAIACWSGKSSQ-TWQQJCIXSA-N 480.615 4.024 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 16213667 NUJSOZITDJHDCP-HZHRSRAPSA-N 488.540 4.240 10 50 JICA CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 248158971 FNMUJZMCLRXZHS-LFALDJFMSA-N 491.371 4.014 10 50 JICA COc1ccccc1OCCOc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1OC 2993370 PRYYKRVLIXFLEZ-BOPFTXTBSA-N 496.404 4.413 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 16116155 WVJQPVCFDAFVQB-UDWIEESQSA-N 479.330 4.498 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(F)c1 101099901 UNACIENFPFBHIE-PWRODBHTSA-N 475.859 4.174 10 50 JICA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1118876 AUMYVXBFQUODFI-MOSHPQCFSA-N 464.836 4.365 10 50 JICA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2110889 UNRUJXOCSQVBGE-UHFFFAOYSA-N 462.462 4.044 10 50 JICA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 9144638 ONLLWLZUNZAOQR-PTGBLXJZSA-N 458.514 4.395 10 50 JICA COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)cc1 12382040 LEIUYRUUBUOXQA-VZKFJVGXSA-N 494.573 4.437 10 50 JICA O=S(=O)(Nc1cc(Br)c(O)c(Br)c1Br)c1ccccc1 3123215 SJSHNFSENRQDAX-UHFFFAOYSA-N 485.979 4.481 10 50 JICA CN1CCCc2cc(CN3C(=O)c4cccc(N5CCN(Cc6ccc(F)cc6)CC5)c4C3=O)ccc21 12151922 PPLLFWXRZGZKGA-UHFFFAOYSA-N 498.602 4.327 10 50 JICA COC(=O)c1c(S(=O)(=O)NC(C)(C)C)sc2c1CCN(Cc1c(O)ccc3ccccc13)C2 19939617 FQNBHKUNDORWJV-UHFFFAOYSA-N 488.631 4.029 10 50 JICA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\SC(=S)NC2=O)cc1 16213385 OHOGOBQVLJJZOA-NDENLUEZSA-N 484.580 4.055 10 50 JICA COC(=O)C1=CN(c2ccc(Br)cc2)c2cc(Br)ccc2S1(=O)=O 263615096 ANCWBVFHYKFHGA-UHFFFAOYSA-N 473.142 4.151 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccc(F)cc1 888103943 MSJDVICYIDYXIR-UHFFFAOYSA-N 466.516 4.072 10 50 JICA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1Cl 1156544 MZLQPBGPFPEWMA-REZTVBANSA-N 467.927 4.353 10 50 JICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 16160777 UOCCPSIYQWVIGQ-PDGQHHTCSA-N 473.967 4.316 10 50 JICA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 16729690 WVKIGZLMSMGUNR-STZFKDTASA-N 481.599 4.404 10 50 JICA COc1ccc(CCN/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 100650567 MQPUWPOUCSHLPN-WYMLVPIESA-N 476.480 4.295 10 50 JICA O=C1[C@H]2[C@@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 100713571 VHNYTVCNKBKVSK-BHDDXSALSA-N 479.330 4.201 10 50 JICA Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 9355114 IQQZAEYFBYWUFF-HAHDFKILSA-N 494.576 4.420 10 50 JICA COC(=O)c1c(C)sc(C(C(=O)c2ccc(OC)cc2)c2sc(C)c(C(=O)OC)c2O)c1O 12372121 GQQNVLLITQNGEP-UHFFFAOYSA-N 490.555 4.434 10 50 JICA O=C1/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 1118665 SGDVVMYEUSECGP-QGOAFFKASA-N 466.588 4.434 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OC 1214016 FJTYSUNWKHIWMB-RIYZIHGNSA-N 479.714 4.176 10 50 JICA CCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 16805175 ONGMTLOWIAQUII-PDGQHHTCSA-N 450.589 4.145 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCn1ccc2ccccc21 888104049 XKSIEPFURMMORY-UHFFFAOYSA-N 487.563 4.345 10 50 JICA Cc1csc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)n1 1772500445 DNNIEHCDPKVOPO-HSZRJFAPSA-N 457.559 4.192 10 50 JICA O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCCc1ccccc1 1185168 QRBMGEIRCCDMPJ-JXAWBTAJSA-N 475.433 4.399 10 50 JICA Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3nnc(-c4ccc(Cl)cc4Cl)s3)C2=O)c1 15930860 KVKLDRZDYVZORU-ZROIWOOFSA-N 474.329 4.399 10 50 JICA Cc1cccnc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500457 DUBQPFJJDVADKM-AREMUKBSSA-N 451.530 4.130 10 50 JICA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1 1005790 JCPPIZGWOPFUPY-WQRHYEAKSA-N 474.380 4.499 10 50 JICA O=C(O)c1ccc(COc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N=C3O)cc2)cc1 16265686 BFDJZPGVYOEFQD-FYJGNVAPSA-N 487.424 4.379 10 50 JICA O=C(CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36103437 PHLWNCYRCOWVBW-CHHVJCJISA-N 484.342 4.447 10 50 JICA CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c2ccccc21 1163555 WISORWRNAFBANY-VCHYOVAHSA-N 451.479 4.015 10 50 JICA CN(C)c1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCC2(c3ccccc3)CCOCC2)cc1 11788034 ATPOSSXVPOYALE-SANMLTNESA-N 461.650 4.219 10 50 JICA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OCC(N)=O 13914668 CVJGLPYCQMGGIC-AUWJEWJLSA-N 483.149 4.426 10 50 JICA O=C(CSc1nc2ccccc2nc1SCC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 334162937 HRBLASXZBWBREY-UHFFFAOYSA-N 494.550 4.402 10 50 JICA NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)sc2c1CCCC2 2915747 HEHWVWYDFNSLEB-LFIBNONCSA-N 489.619 4.095 10 50 JICA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 13424544 KVETYKHCSWJCBQ-PDGQHHTCSA-N 456.545 4.014 10 50 JICA COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 13940260 IDYJUBMVSUZKEC-HQFASYQYSA-N 490.463 4.334 10 50 JICA CN1CCCc2cc(CN3C(=O)c4cccc(N5CCN(Cc6cccs6)CC5)c4C3=O)ccc21 64166976 LSVHHRZEPOUBMI-UHFFFAOYSA-N 486.641 4.249 10 50 JICA Cc1cnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)s1 1775972422 ZQDCIKABLQATOD-QHCPKHFHSA-N 457.559 4.192 10 50 JICA COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 1128738 PBWCTVDYCHNUCJ-CXAGYDPISA-N 455.580 4.447 10 50 JICA Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(I)cc1 8817991 YWVVUIJWOKMCGI-UDWIEESQSA-N 497.361 4.469 10 50 JICA CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 12155863 KMPFRXYCBJVJJJ-SXOMAYOGSA-N 479.690 4.370 10 50 JICA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1Cc1ccccc1 100713575 VHNYTVCNKBKVSK-YPAWHYETSA-N 479.330 4.201 10 50 JICA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl 101117268 GCUYOEKSCGUNQG-BDTNDASRSA-N 471.896 4.344 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169617510 FIXHWEQSHJQUDC-BDTNDASRSA-N 471.896 4.031 10 50 JICA Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(=O)NC2=S)c1 2365228 GOLRSTQXTYKIHL-HYARGMPZSA-N 472.522 4.104 10 50 JICA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 238937231 UNQWRJQUEITUOQ-BRWVUGGUSA-N 467.518 4.038 10 50 JICA COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 9553389 FLDGLKBKZSOGJK-UGUXWMPDSA-N 490.463 4.334 10 50 JICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1213786 OYFFXKVLLSVZJH-BOPFTXTBSA-N 454.236 4.079 10 50 JICA COc1cccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1O 12204629 KOWUVMXLLQAPSO-XMMPIXPASA-N 476.621 4.038 10 50 JICA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1OC 218457163 DGYGZSINDQCHMX-UHFFFAOYSA-N 496.560 4.439 10 50 JICA COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 1134752 VQUDAFUTKPPXFG-KPKJPENVSA-N 495.782 4.259 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]23)cc1 13512398 AYCRGPQMKSJGAF-FSSWDIPSSA-N 489.886 4.483 10 50 JICA COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 16212552 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SHKUEBLCGJTJTK-CDXGLEHBSA-N 470.664 4.487 10 50 JICA Cc1c(-c2nc(-c3cc(Sc4nccs4)ccn3)nn2[C@@H]2CCSC2)cnn1CCN(C)C 1875348271 LCWDUUPUCICYAK-MRXNPFEDSA-N 498.707 4.359 10 50 JICA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 1172749 ZGAKGMKUEQZBJW-RMKNXTFCSA-N 472.147 4.293 10 50 JICA COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 9113060 CZYYOCLIYYQCCO-KGENOOAVSA-N 494.931 4.276 10 50 JICA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100643902 AKLRIUGWWRHMGH-XMHGGMMESA-N 493.497 4.177 10 50 JICA COc1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 888090562 IQOMTJHAIVEMCG-NDEPHWFRSA-N 480.568 4.113 10 50 JICA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33344956 IAOXCSSPJFWOER-QGOAFFKASA-N 450.589 4.226 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]23)cc1 100367039 AYCRGPQMKSJGAF-FKBYEOEOSA-N 489.886 4.483 10 50 JICA COc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1[N+](=O)[O-] 8833770 BLZFAJPNBLDDIZ-UHFFFAOYSA-N 453.270 4.026 10 50 JICA O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 2988597 BELPSCOKRSWJIS-DEDYPNTBSA-N 476.872 4.284 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 15012673 DGTFBNPAADDCCX-DZZSIBQASA-N 474.922 4.262 10 50 JICA Cc1c(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c(O)c1C 1071925 MOPBQSUCBPSDSE-UHFFFAOYSA-N 451.953 4.296 10 50 JICA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 137536126 NCMVZFVLJJQUDY-YTFSRNRJSA-N 492.919 4.365 10 50 JICA CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(OC)c4O)[C@H]3C2=O)cc1 245325606 GJVVOBSDBLTNQQ-VDKIKQQVSA-N 474.513 4.241 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1OC(=O)c1cccs1 13483251 RVHLEPMIMLZTGK-UYRXBGFRSA-N 475.526 4.271 10 50 JICA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3cc(C)ccc32)S1 8435470 NBWFGVIUWOKLIY-UHFFFAOYSA-N 463.602 4.216 10 50 JICA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 9462803 WEJFVFNDRUODML-UDWIEESQSA-N 474.498 4.230 10 50 JICA O=C([C@@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2cccs2)CC1 12213221 JTTQUINXSZUZOF-SANMLTNESA-N 478.706 4.295 10 50 JICA COc1cc(/C=C2\C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)cc(OC)c1OC 22478773 JEZFIYCCIVFVOV-FNSVQNJISA-N 498.586 4.101 10 50 JICA COc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1cccs1 9113243 MDQNVSMLIKSZIY-ULZKCLHWSA-N 478.511 4.236 10 50 JICA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 653816 VXXYKCMQVHEYKN-YVLHZVERSA-N 470.319 4.093 10 50 JICA Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 1150044 QXHPLWYTUNAYJF-PDGQHHTCSA-N 450.589 4.225 10 50 JICA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(C(=O)O)cc1 9295915 JNOYGUJBHMEBMU-MOSHPQCFSA-N 473.572 4.210 10 50 JICA O=C(O)COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc1 16226283 MOPPNANBUKOPCZ-HYARGMPZSA-N 472.453 4.236 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC 22034072 PIQOYCQEVGDNJV-VGOFMYFVSA-N 495.782 4.341 10 50 JICA COc1ccc(N2CCN(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccco3)N4)CC2)cc1 918600 HJJCLQKAODSADK-FXAWDEMLSA-N 475.471 4.107 10 50 JICA COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)o1 1177925 DZQUMEIHMMWAEN-VZKFJVGXSA-N 486.509 4.431 10 50 JICA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccco1 16247273 XLUABFOBZAQKSY-LFIBNONCSA-N 452.850 4.012 10 50 JICA O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 101483866 JHGQQVKCJCBYCT-PWRODBHTSA-N 493.849 4.313 10 50 JICA O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1191504 OFQDKTYPOLAGTH-UHFFFAOYSA-N 486.174 4.249 10 50 JICA COc1ccc(N2CCN(C(=O)COc3ccc(C4CCCCC4)cc3)CC2)c([N+](=O)[O-])c1 16215610 YDUBFYIHZUAMSD-UHFFFAOYSA-N 453.539 4.379 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCCC3)nc12 33316119 UPSGTNOXAHCZBD-XMHGGMMESA-N 462.600 4.005 10 50 JICA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 7003502 POEHPNNUGWZVNP-UYRXBGFRSA-N 477.860 4.494 10 50 JICA CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8819650 HQERNVPKOWZTDW-STZFKDTASA-N 468.600 4.445 10 50 JICA CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 16247328 SFWUDNLMZXWNKQ-QGOAFFKASA-N 468.579 4.447 10 50 JICA CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 33682647 CZWIGJABFXSKGY-JDCXBEBJSA-N 495.670 4.095 10 50 JICA O=C(CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 1804054 LNXUYGKVEXDUGD-FCQUAONHSA-N 485.590 4.444 10 50 JICA CCCC(=O)Oc1c(Br)cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 334162565 ANTYPENIMFYYGW-NVNXTCNLSA-N 493.741 4.278 10 50 JICA CCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2286169 RXNYWUHJEBVSRV-JXAWBTAJSA-N 456.637 4.241 10 50 JICA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 239579106 DEPWPUMCHQMHRH-YPAWHYETSA-N 495.329 4.214 10 50 JICA Cc1ccnc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1772501480 WCHQNPLVMZMFLR-AREMUKBSSA-N 451.530 4.130 10 50 JICA COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 2994480 QMPDEPNFLZHRAU-XDHOZWIPSA-N 481.302 4.286 10 50 JICA CN(Cc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 253408646 KYGRTTLVEDWZIT-NDEPHWFRSA-N 464.569 4.447 10 50 JICA biogenic CCN(CC)c1ccc(CN2C[C@@H](NCc3cccc(C)c3)C[C@H]2C(=O)NCc2cccnc2)cc1 20455507 BHWPPLOAPAHADV-YTMVLYRLSA-N 485.676 4.285 10 50 JICA CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(O)=NC2=S)cc1 1122011 CUIKIXMZEHTCIU-XSFVSMFZSA-N 462.487 4.456 10 50 JICA O=C1/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 26965232 HPEOTXJTXWJPCK-UYRXBGFRSA-N 474.567 4.301 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 169616929 AYCRGPQMKSJGAF-VSKRKVRLSA-N 489.886 4.483 10 50 JICA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 6151098 IORQHUCVSKRCCL-UBFVSLLYSA-N 457.530 4.121 10 50 JICA Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 12372307 AIPKAOUHJYHHRX-UHFFFAOYSA-N 471.444 4.272 10 50 JICA COc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 15800668 NWAGWDVFFYCPGD-BOPFTXTBSA-N 466.378 4.404 10 50 JICA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 16805362 NGIMMHSTXGPSEJ-JTKIUVGSSA-N 481.599 4.050 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 16731915 PGNOHAULFADRCM-NXVVXOECSA-N 469.426 4.204 10 50 JICA Cc1csc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)n1 1775970833 DNNIEHCDPKVOPO-QHCPKHFHSA-N 457.559 4.192 10 50 JICA COc1ccc(N2CCN(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccco3)N4)CC2)cc1 918607 HJJCLQKAODSADK-PXNSSMCTSA-N 475.471 4.107 10 50 JICA COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(N(C)C)cc2)cc1OC 9973469 OBQOHZUCIKEXIY-UHFFFAOYSA-N 457.534 4.329 10 50 JICA COc1ccc(CN2C(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)cc1 13546269 VUEMQGVJMUMEBM-VIZOYTHASA-N 481.349 4.473 10 50 JICA CC1(C)CC(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC(C)(C)N1 888104897 PLQQEXGSYBFCEV-UHFFFAOYSA-N 497.643 4.390 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(O)cc1 980467 XXCFFPPWZWLEIH-UDWIEESQSA-N 496.386 4.394 10 50 JICA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1 4064814 DWVIMUKLUCBMSU-PCCBWWKXSA-N 457.869 4.035 10 50 JICA biogenic COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 15220084 DQHLLLONJMWROE-UWVJOHFNSA-N 487.599 4.103 10 50 JICA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C(=O)N1c1ccccc1Br 136190396 MSXMJNKCPKGJFQ-PCCBWWKXSA-N 465.303 4.206 10 50 JICA Cc1ccc(CN2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 239038381 DBHABKRKOLNLSD-ZRBLBEILSA-N 485.923 4.339 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N(C)Cc3ccccc3)nc12 1103700 ACWHWFWJXSFKHK-MOSHPQCFSA-N 478.643 4.497 10 50 JICA COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2cc(C)n(CCc3ccc(O)c(O)c3)c(=O)c21 263586173 QVYPVPROGDCBDQ-SFHVURJKSA-N 472.497 4.160 10 50 JICA biogenic CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 14882261 NDOSNVVMILEAKJ-XMMPIXPASA-N 467.013 4.375 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H]3CCCO3)nc12 1243027 MVAUEOTUEDXOHI-NFBGKYEXSA-N 484.647 4.128 10 50 JICA CN(Cc1cc(Cl)ccc1O)Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1 14992108 IOYVTXGHJPDLLH-IBGZPJMESA-N 460.003 4.135 10 50 JICA COc1cc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 720964 BQLGEMQCJXNYHZ-UHFFFAOYSA-N 460.360 4.331 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1OC 8819481 VQXIIBMPKRPTJC-PGMHBOJBSA-N 470.616 4.044 10 50 JICA O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 13343409 IZOKLBXVSSQTRB-LDADJPATSA-N 453.520 4.354 10 50 JICA O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc2c(c1)OCO2 13424547 PZOHZHCFBJAFHP-MFOYZWKCSA-N 491.388 4.408 10 50 JICA CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC 15798939 PAXALVRUZAXYST-XYOKQWHBSA-N 479.714 4.176 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(O)cc1 1186289 HPQZIOKYORVXEC-RGVLZGJSSA-N 480.318 4.229 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(F)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl 101833415 OVLZEBQFRCGGEM-BHDDXSALSA-N 489.886 4.483 10 50 JICA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 693953 BOGIPQNHQNZWSZ-QGOAFFKASA-N 452.333 4.071 10 50 JICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NC2CC(C)(C)NC(C)(C)C2)cc1 16115150 HJAACQGWQRQAJL-JWGURIENSA-N 477.565 4.137 10 50 JICA COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)C(C(=O)OC)=C1C 2817001 FKHFTWUVJFWYLW-MOSHPQCFSA-N 472.969 4.465 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 1148305 ROCULJZWSQOZGC-QLENYVDCSA-N 450.589 4.031 10 50 JICA COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 6579922 XHAOSTWRFVZKSV-HMAPJEAMSA-N 490.899 4.372 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 9169443 XFYICOUPKCMXPG-WJDWOHSUSA-N 453.863 4.340 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2367568 NQMYOHCHWKMSMT-GFILPNOVSA-N 470.664 4.342 10 50 JICA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 9310395 LFNVKVMSVLARIK-DEDYPNTBSA-N 457.573 4.429 10 50 JICA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)o2)cc1 13689324 VFLNZRWRKVCUNK-QNGOZBTKSA-N 458.470 4.352 10 50 JICA Cc1ccc(CN2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3Cl)C(=O)c3ccccc3C2=O)cc1 239025620 BWZMTHWUDFZJQE-ZRBLBEILSA-N 485.923 4.339 10 50 JICA O=S(=O)(c1cccc2cccnc12)N1CCN(c2c3ccccc3nc3ccccc23)CC1 12360148 SDVZOOQBPYTHMY-UHFFFAOYSA-N 454.555 4.447 10 50 JICA Cc1cc(Br)ccc1N1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)C(=O)NC1=S 6430139 WDVPKCGIHINDOL-BOPFTXTBSA-N 468.376 4.389 10 50 JICA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)CN1Cc1cc(Cl)ccc1O 14975142 DTTPFDKXQNJNBF-OFNKIYASSA-N 464.949 4.259 10 50 JICA CCCN1CC2=C(NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 15636289 QHBZEXGQUJFOQS-KZTQLJDNSA-N 461.679 4.401 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 18266228 JHSKSUWZQQVEGD-VABKMULXSA-N 469.468 4.138 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccnc1 22215351 GAFZRADZSROXCN-YBFXNURJSA-N 481.375 4.083 10 50 JICA O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 13739239 YRFUVNMGRPESGE-XDJHFCHBSA-N 462.600 4.086 10 50 JICA CC(C)OCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971459 JYSWXOBBJRYAIH-MHZLTWQESA-N 474.605 4.110 10 50 JICA CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8735644 VCIQHJGVGIJNHP-ZHZULCJRSA-N 472.588 4.333 10 50 JICA COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 8819542 RPLSGYNEECCLII-WQRHYEAKSA-N 490.990 4.452 10 50 JICA Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101080384 BWZMTHWUDFZJQE-YTFSRNRJSA-N 485.923 4.339 10 50 JICA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(I)c1O 1165998 BBEZVFPIHQDTPJ-WJDWOHSUSA-N 497.379 4.449 10 50 JICA CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)s1 2986228 IKFRFQRQRJNBHZ-WJDWOHSUSA-N 490.632 4.230 10 50 JICA Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 15769733 LJPXKCVSZOLRGV-JJIBRWJFSA-N 470.529 4.437 10 50 JICA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)c2ccccc2)c1O 2503806 FBGVBQHACKLHNP-UHFFFAOYSA-N 451.953 4.296 10 50 JICA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc4c3C(=O)c3ccccc3C4=O)o2)SC1=S 22064605 UPTAZTPNSDPSBK-VCHYOVAHSA-N 475.503 4.008 10 50 JICA O=S(=O)(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O 1875367126 LMVSRNZDPUXBFH-UHFFFAOYSA-N 485.979 4.481 10 50 JICA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cc(Br)ccc2O)NC(=S)N1 799782 GXOZAVCOZLINCM-MRXNPFEDSA-N 452.761 4.240 10 50 JICA CN(Cc1ccccc1)Cc1cc(I)cc(I)c1O 16662923 IJVWXECUPWJGMU-UHFFFAOYSA-N 479.099 4.233 10 50 JICA COc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)cc1 17857631 PDNGQAVQNRZYFD-FKBYEOEOSA-N 487.895 4.044 10 50 JICA COc1ccccc1CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971798 MYQPJFJQTCXLLR-NDEPHWFRSA-N 480.568 4.113 10 50 JICA O=C1/C(=C/c2ccc(O)cc2O)SC(=S)N1c1ccc(I)cc1 1022566 ZZTMAVZEHIVOIL-AUWJEWJLSA-N 455.298 4.108 10 50 JICA COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1O 15659873 ARNZNERPQYSFSL-QPEQYQDCSA-N 496.155 4.004 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1O 15837168 LYQWQOBBGRPLSE-KPKJPENVSA-N 479.714 4.182 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1 6179580 FVFURKJOHOFILN-BKUYFWCQSA-N 488.500 4.240 10 50 JICA COc1cccc(C[C@@H](C2CCN(Cc3cc(OC)ccc3O)CC2)N(C)C(=O)C2CC2)c1 12168091 JNMKVQJKXWMPLY-VWLOTQADSA-N 452.595 4.101 10 50 JICA CC(/C=C1\SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O)=C\c1ccccc1 9444157 LFLXHUWSWPVDAJ-JKLBGJETSA-N 469.544 4.477 10 50 JICA CCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)s1 1775971646 KKNNPLBUMNKQNK-DEOSSOPVSA-N 486.601 4.231 10 50 JICA CN1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)SC1=S 2823939 GRMAQJBIHFPTAR-GDNBJRDFSA-N 470.391 4.048 10 50 JICA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 13546585 PDCKCYAVFBXTJM-WOJGMQOQSA-N 451.435 4.134 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)C1(O[C@H]2c2ccccc2F)C(=O)c2ccccc2C1=O 138569749 IOPYRMOSEZCPQF-BDTNDASRSA-N 489.886 4.170 10 50 JICA CN1C(=O)C(=C2C=C(/C=C/c3cc4c5c(c3)CCCN5CCC4)CC(C)(C)C2)C(=O)N(C)C1=O 685944417 JCDNICVTUPZURX-MDZDMXLPSA-N 459.590 4.492 10 50 JICA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 15010690 ZJMBSWZYRICPCC-NVNXTCNLSA-N 467.772 4.378 10 50 JICA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 15012826 WOCCUTZRSLOYMS-UYRXBGFRSA-N 464.474 4.094 10 50 JICA O=C(O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1 16246998 JPHSLCXHQAJFPD-NDENLUEZSA-N 487.424 4.379 10 50 JICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O 1191260 BOXNNZUTPSPSNV-PDGQHHTCSA-N 484.297 4.297 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 8714000 FYJJSJPXJURETO-SXGWCWSVSA-N 463.924 4.184 10 50 JICA C=CC(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 13602111 JROLGIBROJJLQG-UHFFFAOYSA-N 475.613 4.382 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 1178556 SJHJWNHVMPQADC-XGICHPGQSA-N 499.785 4.399 10 50 JICA O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 1175360 YSQXLZZHLYWRHZ-XDHOZWIPSA-N 493.313 4.400 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1 1767911 FARPJYUVSMIAAQ-YVLHZVERSA-N 469.569 4.255 10 50 JICA CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1781117 TVWMMGZSMLJUSS-ZCXUNETKSA-N 491.516 4.282 10 50 JICA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 16247303 DFHLCXXIEYPTOL-XSFVSMFZSA-N 462.889 4.419 10 50 JICA CCN1C(=O)/C(=C/c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1103718 TUAFQFCIHJDDBW-LUJRCDHRSA-N 450.589 4.397 10 50 JICA COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC 1217459 HJTFPAUOAXRFKW-LICLKQGHSA-N 478.979 4.206 10 50 JICA CCOc1cccc2c1N(C(C)=O)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 9299919 ZIOMZMOKBSLUCG-UHFFFAOYSA-N 493.628 4.307 10 50 JICA O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 39948474 FDZUCAJWCUMCIW-LICLKQGHSA-N 461.496 4.060 10 50 JICA Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2292990 NMARPUOWBQEUIT-JXAWBTAJSA-N 498.655 4.166 10 50 JICA COc1ccc(O)c(CN2CCC([C@H](Cc3ccccc3)N(C)Cc3cn(C)nc3C)CC2)c1 12040752 KBVTWPSYJPGXQE-MHZLTWQESA-N 462.638 4.398 10 50 JICA COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 22215567 UOWNIPBTIKTRAT-FOWTUZBSSA-N 456.285 4.459 10 50 JICA Cc1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1Oc1cccnc1 920044816 XHMNQBWUEORCBP-FQEVSTJZSA-N 459.550 4.206 10 50 JICA CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 39716375 MUSKAODZTZXALV-HZGBGQKMSA-N 456.637 4.239 10 50 JICA CN1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3I)c2)SC1=S 1205902 NUFJFMHZVVPEJJ-GDNBJRDFSA-N 481.336 4.341 10 50 JICA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1O 4482556 NGMQEYYXETZRSP-AEFFLSMTSA-N 489.597 4.274 10 50 JICA biogenic CCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 9071048 VAKQEDOWNGVWEI-CCPUYDQRSA-N 454.533 4.395 10 50 JICA Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c(C)c2cc1C 16293638 MDBBYEXBPTUMTG-NRFANRHFSA-N 454.592 4.254 10 50 JICA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 22310475 ZIHDZJZWIHXNGV-WQRHYEAKSA-N 451.435 4.134 10 50 JICA CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O)=C\c1ccccc1 12017096 OYELAKCKFJSWAV-JKLBGJETSA-N 468.556 4.267 10 50 JICA O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 1119981 BQQOYBRQBXEMSM-XDHOZWIPSA-N 492.557 4.440 10 50 JICA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCC(Cc2ccccc2)CC1 9434108 DICHOWCEEPOHHL-KQWNVCNZSA-N 494.638 4.488 10 50 JICA O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccn1 15746474 ZKFWXUMLUJQELU-NTCAYCPXSA-N 462.394 4.464 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3)nc12 16266779 SZJMYQJXEQHLFC-NFBGKYEXSA-N 479.583 4.175 10 50 JICA COC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)c2ccccc21 1132332 RHFNGWUGTFOBFI-MHWRWJLKSA-N 467.934 4.448 10 50 JICA O=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3cccc4ccccc34)c(S(=O)(=O)O)cc2c1 3954003 NMBIMCYCRFBUAF-QURGRASLSA-N 474.472 4.313 10 50 JICA in-vitro COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 8819466 RNXLYKURKRLGQJ-UYRXBGFRSA-N 487.559 4.232 10 50 JICA COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1772500714 KMZLWRQZOUMCGR-HHHXNRCGSA-N 466.541 4.436 10 50 JICA CC(=O)O[C@H]1[C@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 4016732 FRDWBYRDTKNHAO-ZNQQNMFPSA-N 456.583 4.048 10 50 JICA biogenic CCOc1cccc2c1NC(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 8397481 PGFLREIHZJKHJC-UHFFFAOYSA-N 451.591 4.366 10 50 JICA COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1OC(C)C 1164167 TZUOVWGHHMDDQR-LFIBNONCSA-N 489.391 4.385 10 50 JICA CCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 1821674 XZXSDANOLUIRCQ-ATVHPVEESA-N 454.577 4.209 10 50 JICA COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O 11880227 XEUPSPLTCCVSOP-QHCPKHFHSA-N 491.636 4.185 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 15857464 NCUORUYWMBAJAU-JQFNYASXSA-N 468.531 4.226 10 50 JICA Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 100414805 BEFCVRBYNDHUKP-FDFHNCONSA-N 489.886 4.483 10 50 JICA COc1cccc(C[C@H](C2CCN(Cc3cc(OC)ccc3O)CC2)N(C)C(=O)C2CC2)c1 12168096 JNMKVQJKXWMPLY-RUZDIDTESA-N 452.595 4.101 10 50 JICA COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 101268017 JZDDPAXVSIKVSU-TZRRMPRUSA-N 477.948 4.466 10 50 JICA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc(Br)cc1 2994297 VEQDEDUXFDZCFH-BOPFTXTBSA-N 466.378 4.404 10 50 JICA CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 9404184 NSUHVCAAEHBQPB-HKWRFOASSA-N 484.599 4.492 10 50 JICA COCCN1C(=O)/C(=C\c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1806112 AJLAIACWSGKSSQ-NISQSXRWSA-N 480.615 4.024 10 50 JICA Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 22147449 DGEWPTSLIMZZBH-JCMHNJIXSA-N 478.508 4.255 10 50 JICA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)c3n2)cc1 649523 VDCRPOAHMQJGFA-UHFFFAOYSA-N 493.514 4.314 10 50 JICA COc1cccc(CN2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1O 14882453 VJAHDOWQARIAAR-HHHXNRCGSA-N 498.023 4.210 10 50 JICA CCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N(c2ccccc2)C1=S 22358422 AVPVJPQWXLCMPA-OQLLNIDSSA-N 473.348 4.132 10 50 JICA Cc1c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 26771436 NMARPUOWBQEUIT-NBVRZTHBSA-N 498.655 4.166 10 50 JICA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 2979889 LMIRHMDZXNFCFD-CPNJWEJPSA-N 466.360 4.380 10 50 JICA Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 1212746 NZHRRGJRJNRMPM-NVNXTCNLSA-N 459.401 4.397 10 50 JICA COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c([N+](=O)[O-])c1 22358560 AIVKDKUCQTWQHN-VXLYETTFSA-N 494.891 4.331 10 50 JICA COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c([N+](=O)[O-])cc1OC 1203571 HTWKYIHNCAYVPW-AWNIVKPZSA-N 492.307 4.046 10 50 JICA COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O 11880226 XEUPSPLTCCVSOP-HSZRJFAPSA-N 491.636 4.185 10 50 JICA CCOc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 169618076 PLYVGHICJASGJY-SMIHKQSGSA-N 481.504 4.089 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]23)cc1 13304566 LTOAYRCQROIULD-HJOGWXRNSA-N 465.505 4.307 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 1148303 ROCULJZWSQOZGC-COYFKBPASA-N 450.589 4.031 10 50 JICA CCCCCOC[C@@H]1C[C@]2(C[C@](C)(C3=N[C@H](Nc4ccccc4Cl)[SH]=C3)OC2=O)C(=O)O1 252427254 YXZOHTUVKJCQJC-FDMHNHSTSA-N 481.014 3.972 10 50 JICA COc1ccc(N2CCN(C(=O)c3cnn(-c4nccc(-c5ccccc5F)n4)c3C3CC3)CC2)cc1 14986885 YGHUHVIFGJRCAD-UHFFFAOYSA-N 498.562 4.317 10 50 JICA CCN(CC)c1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 11786068 WHGDSOWQJOCALQ-RUZDIDTESA-N 454.640 4.317 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 33351635 UULWILGBCVQMEN-LTGZKZEYSA-N 490.654 4.293 10 50 JICA COc1ccc(-c2n[nH]c3c2[C@](O)(C(=O)O)[C@H](c2ccccc2)[C@@H](c2ccccc2O)N3)cc1 229864902 IEXKLZWNWDLXHF-WIOYSNFSSA-N 457.486 4.014 10 50 JICA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 660068 JDTYGHAAZNNOGC-UHFFFAOYSA-N 466.788 4.109 10 50 JICA CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)C(=O)NC1=S 1134685 LYQSPRYANRQKKD-VCHYOVAHSA-N 468.376 4.099 10 50 JICA CCOc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 100619202 PLYVGHICJASGJY-SGNDLWITSA-N 481.504 4.089 10 50 JICA O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169617446 DWVIMUKLUCBMSU-HBMCJLEFSA-N 457.869 4.035 10 50 JICA COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C(=O)c5ccccc5)CC4)c23)cc1 218465740 VPPHUBBBIIVVQZ-UHFFFAOYSA-N 470.525 4.336 10 50 JICA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 1135564 MBDPULFTMXSRKK-VIZOYTHASA-N 458.699 4.246 10 50 JICA C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)C1 35227664 OWBDUDKUOMANDS-NISQSXRWSA-N 468.648 4.465 10 50 JICA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(OC)cc1 9137211 DOGCMGJTRSYSOU-HAVVHWLPSA-N 474.513 4.013 10 50 JICA CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1218889 FYNCVXFWDMRGIH-UNOMPAQXSA-N 456.545 4.044 10 50 JICA COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 16247192 CCNRDLRWIRKNLU-MFKYOLEPSA-N 474.420 4.096 10 50 JICA CCOc1cccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1O 12037365 LOLCGGOFSLDMLW-RUZDIDTESA-N 490.648 4.428 10 50 JICA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]23)cc1 100369864 INRRJFJUHBKCFZ-FKBYEOEOSA-N 471.896 4.344 10 50 JICA C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)C1 28467516 BQRYIMYOMVVOOV-BDLQZBCKSA-N 480.615 4.171 10 50 JICA CCOC(=O)CCN1/C(=C\C=C2/SC(=S)N(CC)C2=O)Sc2ccc(OC)cc21 1194036 XAPWVUKIPFZSIS-VAQFQWRASA-N 450.607 4.166 10 50 JICA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 1194224 LHDBDXKUSTXMDI-CPNJWEJPSA-N 458.430 4.011 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 15012999 AHDPRHTVVRYTSC-JQFNYASXSA-N 468.531 4.226 10 50 JICA CCCCN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 16731378 DVXNOHDNNSIFOT-VLUKHXRESA-N 481.437 4.346 10 50 JICA CCN1C(=O)[C@H](C(c2ccc(Br)cc2)[C@@H]2SC(=S)N(CC)C2=O)SC1=S 20607908 JZQBOACRMXDGIE-STQMWFEESA-N 489.507 4.030 10 50 JICA COc1ccc2c3c(n(-c4ccc5oc(=O)ccc5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824519496 SAAZDZZGMNPZNZ-UHFFFAOYSA-N 451.434 4.326 10 50 JICA biogenic Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 239174345 PUYSZZKRXXEOFV-BDTNDASRSA-N 471.896 4.344 10 50 JICA COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1 15002746 JKEGUARSIZKIEL-DEOSSOPVSA-N 491.636 4.185 10 50 JICA COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1 1217725 WYPYNFKOPQOFNF-HMMYKYKNSA-N 466.584 4.044 10 50 JICA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 15987938 ASCMFPVCWVZFOS-HMMYKYKNSA-N 492.626 4.023 10 50 JICA CCOC(=O)c1c(C)sc2c1N(C(=O)CN1CCOCC1)c1cc(Cl)ccc1S2 19790641 RTRPBFYNYWTTSF-UHFFFAOYSA-N 452.985 4.348 10 50 JICA Cc1cc(C)nc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)n1 217684822 RQSGQRPIYBTUCZ-ZRCGQRJVSA-N 476.558 4.419 10 50 JICA CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(I)c1O 1128028 SXFZMAFYSPOUSQ-ZSOIEALJSA-N 487.340 4.390 10 50 JICA COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 1844274 HMXYRCKAERNGHO-JQSQVVPISA-N 480.615 4.105 10 50 JICA CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 1891770 FNOISRIOYUNBHL-VXPUYCOJSA-N 465.600 4.448 10 50 JICA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCC(C)CC3)nc12 2277936 KJJPQMMMADRBMC-LDADJPATSA-N 456.637 4.096 10 50 JICA CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 15012671 DGTFBNPAADDCCX-PFSWGADMSA-N 474.922 4.262 10 50 JICA Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 2735662 YLAMHOYEPAPBLC-KGENOOAVSA-N 472.522 4.104 10 50 JICA CCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OCC 12412106 YTFSTYNVWFBUTK-HAVVHWLPSA-N 451.592 4.272 10 50 JICA Cc1c(N2C(=O)/C(=C/c3c[nH]nc3-c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 9042822 AOMLLTZZFCSTBP-UYRXBGFRSA-N 473.583 4.280 10 50 JICA Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2288769 PJZZGHPYUVVZRS-DQRAZIAOSA-N 489.578 4.345 10 50 JICA COc1cccc(O)c1CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccsc1)[C@@H]2OC 11996490 VYEZFKSKAKOHRF-RPBOFIJWSA-N 478.614 4.496 10 50 JICA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 19800505 WYEINLMBESGJRJ-XDHOZWIPSA-N 465.556 4.224 10 50 JICA COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2ccc3cccnc3c2O)cc1 1848443467 UUHWGBGYSOWCKF-QFIPXVFZSA-N 458.514 4.241 10 50 JICA O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 1161609 TTZPMUQVCIUTAR-LDADJPATSA-N 470.323 4.210 10 50 JICA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 2318778 WBPACDUKDQPTIY-CYVLTUHYSA-N 461.008 4.347 10 50 JICA CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 16156343 IDXXXXGVJAUWMH-XNTDXEJSSA-N 460.240 4.263 10 50 JICA COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cn1 1775971704 LGCXHPFMQDOORN-MHZLTWQESA-N 481.556 4.221 10 50 JICA O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 16156535 RJIJJMYGAYAKPR-QNUVFLEMSA-N 463.628 4.183 10 50 JICA COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)cc1OC 1199413 MJXJPTQKXGAFRX-WOJGMQOQSA-N 468.531 4.042 10 50 JICA O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 2990916 WXAAQMQCTYZKOD-CPNJWEJPSA-N 476.872 4.284 10 50 JICA CCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26458712 SHKUEBLCGJTJTK-OJTJRJJXSA-N 470.664 4.487 10 50 JICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 9311135 GZZQXJVGZLOGPK-HMAPJEAMSA-N 466.453 4.264 10 50 JICA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 9311795 KQNVRYPVBKRLNG-WOJGMQOQSA-N 480.889 4.267 10 50 JICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl 16225504 WNPQPOYMQGEJHI-XMHGGMMESA-N 494.931 4.276 10 50 JICA COc1ccc(NC(=O)c2cnn3c(O)cc(C)nc23)cc1OCc1ccc2ccccc2n1 1875387439 IILKGEDPQLDZLR-UHFFFAOYSA-N 455.474 4.131 10 50 JICA CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 8492174 SEXSHNLAXDZDTE-YNUQAMOLSA-N 450.520 4.182 10 50 JICA COc1ccc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1Br 16193619 IPCJXUXTKMCMAF-BQLOJNAPSA-N 455.337 4.434 10 50 JICA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 13130666 SJUSNSIEIKNHNB-BOPFTXTBSA-N 450.834 4.273 10 50 JICA C[C@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O 3070902 WOOVOFSNZCTXFO-NSYGIPOTSA-N 450.494 4.436 10 50 JICA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 1198033 PZARUEULBBWFLV-RIYZIHGNSA-N 495.782 4.341 10 50 JICA O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2597601 WMFXEKLTQGSVET-NCPSJORJSA-N 496.360 4.228 10 50 JICA COc1cccc(O)c1CN1CCc2c(cc(-c3cccc(-n4cccn4)c3)c(=O)n2CC2CC2)C1 14752379 CZMVWSBVWWXSDF-UHFFFAOYSA-N 482.584 4.384 10 50 JICA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)c1 2962339 CTDNPVHZCZBPHT-OEAKJJBVSA-N 486.480 4.029 10 50 JICA CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1 238937075 TYDUPYDEJLIJOE-OTNCWRBYSA-N 498.505 4.212 10 50 JICA O=C1/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 1261171 HZUANCGKECARJE-UYRXBGFRSA-N 474.567 4.301 10 50 JICA COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 9434150 IRYBCJALVHAPKW-RGVLZGJSSA-N 484.643 4.150 10 50 JICA O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 1185619 UPRFZWDAJRKJQE-JXAWBTAJSA-N 491.432 4.066 10 50 JICA CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 8492176 MDEWYMJWQAAVEL-GUOILJMFSA-N 480.546 4.191 10 50 JICA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 15856214 BQXCPZDDFZEMNW-WOJGMQOQSA-N 457.533 4.229 10 50 JICA O=C(NN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S)c1ccccc1Cl 1191220 NZUDLXSEXYXSKT-ZSOIEALJSA-N 454.316 4.448 10 50 JICA CCOc1cc(/C=C2/C(=O)NC(=O)N=C2O)cc(Br)c1OCc1ccccc1F 1178905 DWAYQMNFJNUTIP-UHFFFAOYSA-N 463.259 4.156 10 50 JICA N=C1/C(=C\c2cccc(OC(=O)c3ccccc3F)c2)C(=O)N=C2SC(c3ccco3)=NN12 16247679 PHTAQKJSCBHRFZ-LTEIZOIMSA-N 460.446 4.305 10 50 JICA 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COc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 2601181 TXZUMXQCZNECOZ-UHFFFAOYSA-N 481.979 4.305 10 50 JICA C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)C1 13646993 BQRYIMYOMVVOOV-DFUWJZLLSA-N 480.615 4.171 10 50 JICA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)CN1Cc1cc(Cl)ccc1O 55037177 OEOHFMSJHURECI-PKTZIBPZSA-N 482.939 4.398 10 50 JICA COc1ccc(N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3Br)CC2)cc1 2849435 NHGVRVQLHSCKPQ-UHFFFAOYSA-N 461.400 4.483 10 50 JICA CCCN1C(=O)/C(=C2\SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 16730292 OLKUGDSVQKOFQO-NXVVXOECSA-N 469.426 4.204 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCO[C@@H](c2ccccc2)C1 888105106 XJETURGBVFLOAL-AREMUKBSSA-N 490.563 4.174 10 50 JICA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 6886423 ZSPQQWNRHGVENO-BOPFTXTBSA-N 451.822 4.483 10 50 JICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccncc1 8400418 MNEZOIUTPUNDIC-XDHOZWIPSA-N 481.375 4.083 10 50 JICA CCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1302198 ZZTGZDCDJISBGZ-CYVLTUHYSA-N 464.616 4.269 10 50 JICA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 9185701 TTWLDNSWJCOLDR-HMAPJEAMSA-N 481.508 4.373 10 50 JICA COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1 239038934 FDOZYFXBHJPXDW-BDTNDASRSA-N 487.895 4.044 10 50 JICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100147820 HTEHMKVROSVSIK-XDJHFCHBSA-N 463.471 4.169 10 50 JICA N=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N=C2SC(c3ccco3)=NN12 16212519 CGQDULVAFWOAQM-FZAWDKCWSA-N 473.470 4.434 10 50 JICA O=C(C1=CN(c2ccc(OCc3ccccc3)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 263619130 XBQBCKQFNPVVKM-UHFFFAOYSA-N 494.544 4.030 10 50 JICA Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N(C)C)nc12 1148302 ROCULJZWSQOZGC-LUJRCDHRSA-N 450.589 4.031 10 50 JICA NC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)sc2c1CCCC2 1776422 QSQKTPDXUNXBEY-DHDCSXOGSA-N 492.047 4.219 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 8819461 LHHTXKGWAXRVLN-UYRXBGFRSA-N 486.571 4.022 10 50 JICA O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S 2844656 BASITIPBIUQUOT-LZYBPNLTSA-N 482.352 4.453 10 50 JICA CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC1=S 9295975 ZSBRTQWTKXCTQW-YBEGLDIGSA-N 462.325 4.014 10 50 JICA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Br)c1O 16183139 FEJZAGSBSSEEOT-SDQBBNPISA-N 485.212 4.210 10 50 JICA O=C(Nc1cccc(N2CCC(N[C@H]3CCCCNC3=O)CC2)c1)c1cccc(C(F)(F)F)c1 12151720 MNDUHXDTSXYEFU-QFIPXVFZSA-N 474.527 4.185 10 50 JICA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14733365 MNFIDWVZLPLJSN-BQYQJAHWSA-N 472.633 4.052 10 50 JICA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4cccc(F)c4)c4ccccc34)[C@H]21 1775972426 ZXFBHFVSNFNGHD-MHZLTWQESA-N 468.532 4.244 10 50 JICA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 13536523 JCBRXUWPNCNXJR-PXLXIMEGSA-N 460.515 4.246 10 50 JICA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C2=O)cc1 22358335 VNYXNHQFSRDJGR-HAHDFKILSA-N 471.513 4.110 10 50 JICA C=CC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 8989911 MGFOJMZRNKVCLR-UHFFFAOYSA-N 491.612 4.083 10 50 JICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 13739477 SFCSSSHJSDHNLU-PDGQHHTCSA-N 456.545 4.014 10 50 JICA Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)n1 1895800 ZRDJWNISISVUHP-UHFFFAOYSA-N 473.609 4.108 10 50 JICA Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)c1 2814332 WPMVJIXDIGBDCC-LPYMAVHISA-N 473.554 4.240 10 50 JICA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2OC)SC1=S 6470476 CGBRYYDRVGYKPS-CPNJWEJPSA-N 460.533 4.282 10 50 JICA CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(F)cc3)C[C@H]2C(=O)NCc2cccnc2)cc1 32586985 YVWUWCCAKLAWQP-XCZPVHLTSA-N 489.639 4.116 10 50 JICA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(I)cc1 15799415 CQURUGMIXOJQOV-UHFFFAOYSA-N 453.235 4.319 10 50 JICA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCO[C@H](c2ccccc2)C1 888105109 XJETURGBVFLOAL-SANMLTNESA-N 490.563 4.174 10 50 JICA COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)c1 680414 NKLRQJMMYCKASZ-HZHRSRAPSA-N 487.581 4.363 10 50 JICA COc1cccc(CN2CCC([C@@]3(CC(C)C)NC(=O)N(CCc4cccs4)C3=O)CC2)c1O 12191443 KAQCZVVHLTVQCT-AREMUKBSSA-N 485.650 4.254 10 50 JICA