smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=NOCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 4091570 PTXMICIGMHQXQP-OALUTQOASA-N 381.369 5.420 0 30 GKAC CCOC(=O)c1cc(-c2nc(-c3ccccc3)cs2)c(C)nc1C(F)(F)F 1023706 OILJQZXGEDPZBS-UHFFFAOYSA-N 392.402 5.376 0 30 GKAC FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3cccs3)nn12 1040275 LONQHQSLXXNGEA-UHFFFAOYSA-N 395.409 6.297 0 30 GKAC COC(=O)c1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(F)cc1 1041394 PAWPLFBQUFBSFG-QFIPXVFZSA-N 394.467 5.719 0 30 GKAC Oc1ccc(O)c([C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1C1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 256764189 LRUURYXTKSHHJY-FHZGAYTDSA-N 378.556 6.177 0 30 GKAC S=C(NC1CCCCC1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 4334964 QCJXVHCVRQZOHK-GHTZIAJQSA-N 395.597 5.279 0 30 GKAC CC1=C(/C=C/C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O)CC1 22066010 XQFJZHAVTPYDIQ-LOHZHOGJSA-N 396.659 7.641 0 30 GKAC in-vitro CCCC[C@@H]1CCCCCCc2cc1[nH]c2/C=C1\N=C(c2ccc[nH]2)C=C1OC 604936630 PCTHMTZCYIAHJA-GJQHCVRFSA-N 391.559 6.497 0 30 GKAC C[C@@H](CCOC(=O)CCCCC(=O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 5734996 ISQGOXKDLGVOKQ-PMACEKPBSA-N 398.628 6.558 0 30 GKAC C[C@@]1(OCc2ccccc2)[C@@H](OCc2ccccc2)CCN1Cc1ccccc1 96330836 MQPBJPFBBXFAPH-IZZNHLLZSA-N 387.523 5.411 0 30 GKAC O=C1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(C(F)(F)F)cc1 1046057 QGFDDCDNTZPCDN-HNNXBMFYSA-N 391.336 5.503 0 30 GKAC c1cc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)ccc1-c1csnn1 1046844 KLRQRODVQUYNFA-UHFFFAOYSA-N 393.493 5.157 0 30 GKAC C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(C)(C)C1 3179671 NFNNBLCEPKBYIY-YGRLFVJLSA-N 381.360 5.669 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)OCCc1csc2ccccc12 4377790 MWFYVEMHZJNMHJ-UHFFFAOYSA-N 381.375 5.591 0 30 GKAC Cc1c(NC(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)nn12 1032024 ANRIIXBYWCEDBK-UHFFFAOYSA-N 383.864 5.064 0 30 GKAC Cc1cccc(C2=NN(c3ccccc3)[C@@H](c3c(Cl)cccc3Cl)C2)c1 4301201 XXISKTFGDLFYCB-OAQYLSRUSA-N 381.306 6.658 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3snnc3C)n1)C(C)(C)CCC2(C)C 4390529 QQWWXZJYSZKKSM-UHFFFAOYSA-N 397.613 6.548 0 30 GKAC COC(=O)[C@@]1(c2cccc(Oc3ccccc3)c2)[C@H](C=C(Cl)Cl)C1(C)C 81218455 BZCPMDGKZRKHIG-DYESRHJHSA-N 391.294 5.865 0 30 GKAC CC[C@@H](c1ccc(O)cc1)[C@](CC)(OCCN(CC)CC)c1ccc(O)cc1 141128255 WMPPXHLMLSAGGF-BJKOFHAPSA-N 385.548 5.255 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3cnccn3)n1)C(C)(C)CCC2(C)C 1046700 UFYBFJWTDIQFKR-UHFFFAOYSA-N 377.557 6.179 0 30 GKAC O=C(NCc1c(F)cccc1Sc1ccc(Cl)cc1)Nc1ccccc1 4323453 ITRQYVWZGSVGGU-UHFFFAOYSA-N 386.879 5.952 0 30 GKAC CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2c3cccc4cccc(c34)[C@@H]12 4334988 SYZVGYQOFKBEKX-PZJWPPBQSA-N 376.843 5.071 0 30 GKAC Fc1cc(Br)cc(F)c1NC(=S)Nc1cccc(Cl)c1 1048629 NNSVZFGNAYGEKM-UHFFFAOYSA-N 377.641 5.190 0 30 GKAC CCOC(=O)c1c(SC)nc2c(Cl)cccc2c1Sc1cccs1 4363402 CDXFBDJEPNLIBM-UHFFFAOYSA-N 395.958 6.000 0 30 GKAC CSCc1c(SC)c(SC)c(CSC)c(SC)c1SC 4473249 QSIXSEACJHBUPD-UHFFFAOYSA-N 382.732 6.300 0 30 GKAC FC(F)(F)Oc1ccc2nc(C=Cc3cccs3)c3c(c2c1)SCC3 2265279360 GEROBHQFQZELKO-UHFFFAOYSA-N 379.428 6.014 0 30 GKAC O=C(Oc1ccc(Cl)cc1Cl)/C(=C\c1cccs1)c1ccsc1 2156701 FCTDEAHFFXWPOK-ZROIWOOFSA-N 381.305 6.263 0 30 GKAC CCCC(=O)Sc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1 60245926 NUZHRSDNKKWRLY-UHFFFAOYSA-N 391.414 6.446 0 30 GKAC Cc1cccc(Cl)c1NC(=S)N[C@@H](Cc1ccccc1)c1ccccc1 1041736 LHTLPGOZLLOCIS-FQEVSTJZSA-N 380.944 5.919 0 30 GKAC in-vitro Cc1cc(CC(C)C)c(O)c(C(c2cc(C)cc(CC(C)C)c2O)C(C)C)c1 38645246 IZVALQGISZYFAI-UHFFFAOYSA-N 382.588 6.900 0 30 GKAC O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1sccc1Cl 3120089 OSNDXGPVGWCHQF-UHFFFAOYSA-N 388.720 6.083 0 30 GKAC O=C(C[C@H](SC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 3128043 PKYVBEROOUEKKB-NRFANRHFSA-N 380.896 6.228 0 30 GKAC COc1ccc(Oc2cccc3c2C(=O)C(=CN(C)C)[C@H]3c2ccccc2)cc1 8664784 QJTRKHPSAFINCA-QHCPKHFHSA-N 385.463 5.261 0 30 GKAC CCN(CCC#N)c1ccc(/N=N/c2cc([N+](C)(C)C)ccc2Cl)cc1C 38613382 AIIPMROCHLNDDH-OCOZRVBESA-N 384.935 6.001 0 30 GKAC CCCCC/C=C\C/C=C\CCCCCC[C@H](NCCOC=O)C(=O)OCC 142093803 UKEKRCKBDRCNOP-FQPCFBMWSA-N 395.584 5.104 0 30 GKAC CCc1cccc(CC)c1NC(=O)COc1cc(C)c2c(c1)OC(C)(C)C=C2 1036741 PLIFIAHZVMWUHU-UHFFFAOYSA-N 379.500 5.322 0 30 GKAC FC(F)(F)Oc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 4333980 QOKYPRZCZKHCPY-UHFFFAOYSA-N 393.217 6.061 0 30 GKAC CC(C)(c1ccc([C@@H]2CCCC[C@@H]2O)cc1)c1ccc([C@@H]2CCCC[C@@H]2O)cc1 200266064 JJHFVWICUOOOQM-CQJMVLFOSA-N 392.583 6.050 0 30 GKAC O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 254865158 WRQCOCYBTYNQBH-UHFFFAOYSA-N 399.252 5.800 0 30 GKAC C[C@H](CC=C(CC[C@@H](C)CC(C)(C)C)CC[C@@H](C)CC(C)(C)C)CC(C)(C)C 107958861 NWNPVUYOZGIYLE-WXFUMESZSA-N 392.756 10.080 0 30 GKAC CC[C@H](CC[C@@H](C)C1=C2CC[C@@H]3[C@@H]4CCCC[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)C(C)C 299803370 LRFNERKVABUIAT-IJYQFJKISA-N 398.719 9.198 0 30 GKAC CC1(C)CCc2cc(-c3ccnc(SCC(=O)c4ccccc4)n3)ccc2O1 1038650 KPXQBWRCLOAUOJ-UHFFFAOYSA-N 390.508 5.222 0 30 GKAC CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc2n1 2142844 XQJDLWBZSNSNEP-UHFFFAOYSA-N 398.350 6.632 0 30 GKAC Cc1c(C)c(C)c(CSc2cccc(NC(=O)/C=C/C(=O)O)c2)c(C)c1C 3983621 JDUXDNHYHISTJN-MDZDMXLPSA-N 383.513 5.100 0 30 GKAC CCOC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)OCC 34635472 ICLASYLYHJLVTR-YZIORBTBSA-N 384.516 5.566 0 30 GKAC Cc1ccccc1N=Nc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 256249110 KMDLOETUWUPGMB-UHFFFAOYSA-N 380.451 6.131 0 30 GKAC Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 1047461 QAUWHEDMWRMKEN-UHFFFAOYSA-N 377.296 5.601 0 30 GKAC CC(C)[C@@H](C(=O)OCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 33986320 ZVBYGQHSOONVCF-HSZRJFAPSA-N 394.898 6.615 0 30 GKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@@H](O)[C@H]1CCCCO1 604970762 GGBCWHWUPQPXOU-AMGAHSPLSA-N 382.673 7.382 0 30 GKAC O=C(Nc1cccnc1Sc1ccc(Cl)cc1)c1ccccc1Cl 1043467 LVTIEJGCKYKAQG-UHFFFAOYSA-N 375.280 5.792 0 30 GKAC CCCCC[C@H](O)c1ccc([C@@H]2CCC(=O)[C@H]2CCCCCCC(=O)O)cc1 114409408 XMQKDOCUWFCMEJ-FKBYEOEOSA-N 388.548 5.788 0 30 GKAC in-vitro FC(F)Oc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1 1047037 WTLZZKFBQKLCNO-UHFFFAOYSA-N 387.436 5.597 0 30 GKAC Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12 2146072 DOOHMMNIKIGJTM-UHFFFAOYSA-N 378.884 5.860 0 30 GKAC CC(=NOCc1ccc(F)cc1Cl)c1cccc(N2Cc3ccccc3C2)c1 254315759 BRRWVTSIBQPNTM-UHFFFAOYSA-N 394.877 5.940 0 30 GKAC Cc1ccn2c(C=NOCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc2c1 254704113 HVFWLCCZBLOLKI-UHFFFAOYSA-N 393.849 5.653 0 30 GKAC CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 143885257 CQRQBKDKLRADER-BEKYVKCVSA-N 384.585 7.662 0 30 GKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@@H](O)[C@@H]1CCCCO1 604970767 GGBCWHWUPQPXOU-BDUWWWMKSA-N 382.673 7.382 0 30 GKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343832 UIHTYLURQRTVDO-AUSIDOKSSA-N 375.924 6.870 0 30 GKAC COc1cc(C2SCc3cc(C)c(C)cc3CS2)cc(OC)c1OC 1026610 FAIGFBBATMTBBI-UHFFFAOYSA-N 376.543 5.508 0 30 GKAC Brc1cc(C2CCCCC2)cc(Br)c1-n1cccc1 2161486 ZTCTXSRFQRWAOK-UHFFFAOYSA-N 383.127 6.050 0 30 GKAC CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(c1ccccc1)c1ccccc1)C2 498051067 IAXKPEINBWEYMS-UHFFFAOYSA-N 392.543 5.109 0 30 GKAC O=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccccc1 1032108 ADTYBRNDLDLEDX-UHFFFAOYSA-N 390.393 5.462 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351819 UIMGHSAOLFTOBF-HKQIGRHHSA-N 386.664 7.389 0 30 GKAC Brc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)o2)cc1 3119660 AUBRDFMEEDJCGD-UHFFFAOYSA-N 375.265 7.043 0 30 GKAC COc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccccc2)cc1 1032831 QPCJIOMAJYKUPD-UHFFFAOYSA-N 382.847 5.463 0 30 GKAC Cc1ccc(-c2noc(-c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)n2)cc1 1047047 MRQHBLRCSKOYCX-UHFFFAOYSA-N 387.222 6.404 0 30 GKAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)[C@H](Cl)C[C@H]32)C1 33986200 VEIABLNKNSOQQY-CGDAUVCTSA-N 392.967 5.303 0 30 GKAC CCN(CC)C1=N[C@]1(C)C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 139083736 JVJXFPNSZJGPMI-MHZLTWQESA-N 392.546 6.062 0 30 GKAC Cc1cc(Cl)ccc1[C@@H](Cn1ccnc1)OCc1ccc(Cl)cc1Cl 390822802 KDKSPCVSPMJRCP-LJQANCHMSA-N 395.717 6.110 0 30 GKAC O=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)C(Cl)(Cl)Cl 1039666 MPDCYBUYBWJQQP-UHFFFAOYSA-N 388.625 5.743 0 30 GKAC CCCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@H]1c1ccc(F)cc1O 299803453 QQZZWLWHWXXPBP-BTYIYWSLSA-N 375.528 5.609 0 30 GKAC O=C(Cn1c(C=Cc2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1 2265278825 YGDIFJSRNMZORB-UHFFFAOYSA-N 387.870 5.499 0 30 GKAC c1ccc(C2=C(c3ccccc3)c3cc(-c4ccccc4)cc4cccc2c34)cc1 3126006 BAJLGERDNJHCAA-UHFFFAOYSA-N 380.490 7.828 0 30 GKAC COc1ccc([C@@H]2C[C@@H]2C(C)=NOC(=O)c2c(Cl)cccc2Cl)cc1 4013485 XRJJONMYLWJZHS-CABCVRRESA-N 378.255 5.338 0 30 GKAC Cc1cc([N+](=O)[O-])ccc1Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] 139673324 PSILDCKSIWSCEZ-UHFFFAOYSA-N 375.690 5.227 0 30 GKAC O=C(Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1)c1cccs1 1024218 QDVFIMZEWPLGDC-UHFFFAOYSA-N 396.415 5.333 0 30 GKAC CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(Cl)s3)cs2)CC1 1028381 XDKPTHRLGIBRNN-UHFFFAOYSA-N 384.954 5.640 0 30 GKAC CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccc2ccccc12 13464171 HDMWSXJZXAEOQY-QURRFSBHSA-N 399.578 6.943 0 30 GKAC CCCc1c(C(=O)Nc2ccccc2N2CCCCC2)cnn1-c1ccccc1 1034021 FBTHFNSZFFEEHZ-UHFFFAOYSA-N 388.515 5.067 0 30 GKAC C[C@]12CC[C@@H]3[C@@H](CC=C4OC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 575627397 ITVCSVFIMJJFFZ-NGXSRBAFSA-N 394.511 5.285 0 30 GKAC in-vitro O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1043885 OXDVLLMFLRFFNC-UHFFFAOYSA-N 383.728 6.010 0 30 GKAC Cc1ccc(-c2nnc(COc3ccccc3)n2-c2ccc(F)c(Cl)c2)cc1 33892740 ALWNOJZEHVQWJO-UHFFFAOYSA-N 393.849 5.614 0 30 GKAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 4024605 VEIABLNKNSOQQY-NUDIJZITSA-N 392.967 5.303 0 30 GKAC CCCCCC1CCC([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 299803285 GLZNOTOAQDMKMM-ZRPHKLAYSA-N 392.574 8.024 0 30 GKAC FC(F)(F)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)cc1 4389095 CGGHDIJVDHCOOT-GCJKJVERSA-N 395.449 6.846 0 30 GKAC Cc1c(-c2csc(-c3ccc(-c4csnn4)cc3)n2)sc2ccccc12 4390736 UDYPJYNNVZNMBF-UHFFFAOYSA-N 391.546 6.519 0 30 GKAC CCOC(=O)c1c(N)sc2c1C[C@H](c1ccccc1)S[C@@H]2c1ccccc1 3640337 OXRBANIADQQLEL-IEBWSBKVSA-N 395.549 5.627 0 30 GKAC O=C(C[C@@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1ccccc1 1046423 AOSYJRBBWJZFDS-OAQYLSRUSA-N 380.440 5.630 0 30 GKAC N#CCCNc1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 6091814 NWEQNTISLULYNS-QURGRASLSA-N 386.824 5.599 0 30 GKAC FC(F)(F)Oc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1 4390777 QNFVUIWRIRAFKU-UHFFFAOYSA-N 375.133 5.609 0 30 GKAC CCCCCCCCOc1cc(OCCCCCCCC)cc(C(=O)O)c1 143226300 RNTPNZPXBSQFKV-UHFFFAOYSA-N 378.553 6.863 0 30 GKAC CCc1cccc(CC)c1NC(=O)COc1cc2c(cc1OC)C=CC(C)(C)O2 1036749 FBRUGNXURYIHCL-UHFFFAOYSA-N 395.499 5.022 0 30 GKAC S=C(NC1CCCCC1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 4334963 QCJXVHCVRQZOHK-RXVVDRJESA-N 395.597 5.279 0 30 GKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCO4)cn2)cc1 1034041 CBFSRLFGHIGPKY-UHFFFAOYSA-N 388.467 5.359 0 30 GKAC Brc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1 34447343 JXFRUXPZIOASSM-UHFFFAOYSA-N 394.312 5.302 0 30 GKAC COc1ccc(-c2cc(C(=O)c3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 604934907 VSXUCKWEKLXHQJ-UHFFFAOYSA-N 396.446 5.059 0 30 GKAC Cc1nc(C(F)(F)F)nc(Sc2ccccc2Cl)c1Oc1ccccc1 1031977 LYTUKXMVQWXSHS-UHFFFAOYSA-N 396.821 6.401 0 30 GKAC COc1ccccc1C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 1043304 BFMSCNFMFKMMAU-UHFFFAOYSA-N 394.462 5.290 0 30 GKAC C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(C)(C)C1 3179667 NFNNBLCEPKBYIY-QMTHXVAHSA-N 381.360 5.669 0 30 GKAC CCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCC)C(=O)O 111903057 NRUVALJAGRJLKU-DHIUTWEWSA-N 384.645 7.500 0 30 GKAC Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1 1378598 JETIDXYBWRIWOX-UHFFFAOYSA-N 393.918 6.010 0 30 GKAC COc1ccc([C@H]2C[C@H]2C(C)=NOc2ncc(C(F)(F)F)cc2Cl)cc1 4013439 NQYRSCSHZVNIEC-LSDHHAIUSA-N 384.785 5.321 0 30 GKAC CCOc1ccc(NC(=O)[C@H](Nc2ccc(OCC)cc2)c2ccccc2)cc1 1041601 GAQDAAOMCRBVRJ-HSZRJFAPSA-N 390.483 5.276 0 30 GKAC COc1ccc(OC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 1047473 VLGUIWOFGJCJPI-UHFFFAOYSA-N 394.279 5.269 0 30 GKAC Cc1ccc(C(=O)C[C@H](Sc2ccc3ccccc3c2)c2ccsc2)cc1 4377629 GOFGXPXSBXQCDY-DEOSSOPVSA-N 388.557 7.316 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 261362697 HVYWMOMLDIMFJA-QYQOFFCXSA-N 386.664 7.389 0 30 GKAC COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1ccc(C(C)(C)C)cc1)CC2 1033246 RPAURFQJHHDJAU-OAHLLOKOSA-N 382.504 5.153 0 30 GKAC Cc1c(CNC(=S)Nc2ccc(Cl)cc2Cl)sc2ccccc12 1040616 PPKGWGOPMAHZCZ-UHFFFAOYSA-N 381.353 6.003 0 30 GKAC Cc1cc2c(cc1Cl)[C@]1(OC(=O)c3ccccc31)c1ccc(N(C)C)cc1O2 38611792 HJHGXGDBGOPUTJ-HSZRJFAPSA-N 391.854 5.282 0 30 GKAC CSc1cccc(NC(=S)Nc2cc3c(c(N)c2C)C(C)(C)CC3(C)C)c1 1048266 POWHXHKZTIVDLL-UHFFFAOYSA-N 399.629 6.067 0 30 GKAC FC(F)(F)c1cccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 20443478 BPUWNSJIUPKYBY-UHFFFAOYSA-N 397.444 5.012 0 30 GKAC N#CCCNc1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl 111407532 YGSBFXRCXYKFGV-QURGRASLSA-N 398.637 6.296 0 30 GKAC COc1ccc([C@H]2C[C@@H]2C(C)=NOC(=O)c2c(Cl)cccc2Cl)cc1 4013479 XRJJONMYLWJZHS-HUUCEWRRSA-N 378.255 5.338 0 30 GKAC OP1N(c2ccccc2)C[C@H](CCNc2ccccc2)N1Cc1ccccc1 35847499 XOXGYLKAHOXZFO-UHFKCPIBSA-N 391.455 5.099 0 30 GKAC Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 1043884 YPXRJAFZCRELQP-UHFFFAOYSA-N 379.765 6.180 0 30 GKAC Cc1cccc(CON=Cc2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)c1 254907406 ZPJDATPDJCXBKA-UHFFFAOYSA-N 389.886 5.822 0 30 GKAC C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12 575626595 PAFKTGFSEFKSQG-JYMMKNRWSA-N 388.555 5.811 0 30 GKAC biogenic Cc1ccccc1NC(=S)Nc1ccccc1C(=O)Nc1ccc(F)cc1 1026789 SHXFNONOLSWXLN-UHFFFAOYSA-N 379.460 5.195 0 30 GKAC CCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1 2144464 DHCUVWJIFJLSPB-UHFFFAOYSA-N 395.673 5.676 0 30 GKAC COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)cc1 1040226 WXVOOZNFMKEGRY-UHFFFAOYSA-N 375.375 5.152 0 30 GKAC Cc1c(/C=C/c2ccnc(SCc3ccc(F)cc3)n2)sc2ccccc12 4365896 FHQNTQIYKDIVNN-ZHACJKMWSA-N 392.524 6.602 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2265351825 UIMGHSAOLFTOBF-VJQOOSOISA-N 386.664 7.389 0 30 GKAC Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 3131794 OTEFNUKTPCFMJA-CQSZACIVSA-N 390.321 5.461 0 30 GKAC CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1 33884448 NKPGRZLYCVNWQG-UHFFFAOYSA-N 382.503 7.127 0 30 GKAC CCOCc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1 33884499 IKBGTXHAYGDOAQ-UHFFFAOYSA-N 390.523 6.510 0 30 GKAC CCCC(CCC)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722622067 GMSDVHOIRPWOGY-UHFFFAOYSA-N 395.499 5.196 0 30 GKAC O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 1047846 DHWLWCNQNQDLOA-UHFFFAOYSA-N 381.206 5.138 0 30 GKAC CCOC(=O)c1cnc(-c2cccs2)nc1Nc1cccc(C(F)(F)F)c1 1035800 FOAJYJGNLONWTE-UHFFFAOYSA-N 393.390 5.144 0 30 GKAC COc1cc(C(F)(F)F)nc2ccc(C)c(NC(=O)c3ccc(Cl)cc3)c12 1039764 WZORNQKXXFZPTH-UHFFFAOYSA-N 394.780 5.476 0 30 GKAC OC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1043777 HUGIUMYAEHKODD-UHFFFAOYSA-N 377.242 5.447 0 30 GKAC CCCC[C@@H](CC)COC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5514732 XSTLHFQIGNKYFG-VXGBXAGGSA-N 381.727 6.174 0 30 GKAC Clc1ccccc1/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2Cl)C1 96328857 RGEREJNBGBQLQN-NSFRLNINSA-N 393.317 7.014 0 30 GKAC CC(=O)N(c1ccc(C)cc1)c1ccc2c3c1[C@H]1O[C@@H](C=C3c3ccccc31)N2C 100074951 QMTDSKPFXGWUPW-OZXSUGGESA-N 394.474 5.320 0 30 GKAC Cc1csc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1 1027091 HLARFVKPQYLYDN-UHFFFAOYSA-N 378.297 5.811 0 30 GKAC O=C(c1ccco1)N1CCc2sccc2[C@H]1c1ccc(OC(F)(F)F)cc1 1046698 DEYVAALYYKHCHO-QGZVFWFLSA-N 393.386 5.028 0 30 GKAC Cc1onc(-c2ccccc2Cl)c1NC(=O)N1c2ccc(F)cc2CC[C@H]1C 1036364 QJCDNYRIAURCDA-GFCCVEGCSA-N 399.853 5.816 0 30 GKAC CCCCCC(=O)Nc1ccccc1-c1nnc(-c2ccc(C(C)(C)C)cc2)o1 2163049 BHKJUMQQUIHHPZ-UHFFFAOYSA-N 391.515 6.220 0 30 GKAC Cc1ccc(C)c([C@@H](c2ccc(Br)cc2)c2cc(C)sc2C)c1 44137784 FQMHNVDDPUYECI-OAQYLSRUSA-N 385.370 6.924 0 30 GKAC CC(C)(C)c1cc(-c2nnc(-c3cccs3)o2)n(Cc2ccc(F)cc2)n1 1035924 CFYOYPUWNSWPPL-UHFFFAOYSA-N 382.464 5.147 0 30 GKAC Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 2568327 RXRLRYZUMSYVLS-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC CC1=C(O)/C(=C\[C@@H](C)CCC[C@H](C)/C=C/C=C(\C)CCCc2ccoc2)OC1=O 18191340 XZFNRHCNBWUYAM-JUXMFKGUSA-N 398.543 6.820 0 30 GKAC CCc1cccc(CC)c1Nc1nc2c(Cl)cc(Cl)c(Cl)c2s1 4347921 CZWQXQUTRNHPRA-UHFFFAOYSA-N 385.747 7.125 0 30 GKAC CC1=C(C)C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@@H](C(=O)O)C1 4381324 GROFMWXXTZGLAX-UXHICEINSA-N 399.874 5.518 0 30 GKAC CC(C)[C@H](C(=O)OCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 33986319 ZVBYGQHSOONVCF-QHCPKHFHSA-N 394.898 6.615 0 30 GKAC CCCCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@H]1c1ccc(F)cc1O 263584516 VKMHRASEXLDXMS-AOMKIAJQSA-N 389.555 5.999 0 30 GKAC FC(F)(F)c1cccc(-c2nc(COc3ccc(Cl)cc3Cl)no2)c1 1039500 MQXIFZAZIYSHDO-UHFFFAOYSA-N 389.160 5.641 0 30 GKAC O=C(C[C@]1(c2ccc(Cl)cc2)CC(c2ccccc2)=NO1)c1ccccc1 32266095 DUMYTKKRHLETSV-QHCPKHFHSA-N 375.855 5.633 0 30 GKAC Cc1cc(C(F)(F)F)nc2c(Br)c(-c3ccc(Cl)cc3)nn12 1037650 WLIHXBAJQPUYMV-UHFFFAOYSA-N 390.590 5.139 0 30 GKAC FC(F)(F)c1cnc(CC=NOCc2c(Cl)cccc2Cl)c(Cl)c1 4051678 KTMOVHTXQIPMGX-UHFFFAOYSA-N 397.611 5.806 0 30 GKAC CC[C@@H](C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 14592760 AMUGDUPSOQKGLS-NVABDQRYSA-N 392.668 8.861 0 30 GKAC O=C(c1ccco1)N1CCc2sccc2[C@@H]1c1ccc(OC(F)(F)F)cc1 1046699 DEYVAALYYKHCHO-KRWDZBQOSA-N 393.386 5.028 0 30 GKAC CSc1sc(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1C(C)=O 2152947 OMEGIQFTJSMVLC-UHFFFAOYSA-N 379.959 6.425 0 30 GKAC Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cc1c(F)cccc1Cl 1048843 SXXSURZQZFFQHE-UHFFFAOYSA-N 377.246 5.225 0 30 GKAC Nc1cc(C(F)(F)F)ccc1/C(=C/c1ccc(Cl)cc1Cl)C(=O)O 38647459 HLPCUGIVUZTSQH-XGICHPGQSA-N 376.161 5.220 0 30 GKAC CCCCCCCCCCCCCCCC[C@H](CCS(=O)(=O)O)C(=O)O 100128365 VMMSAWGTIODNHH-LJQANCHMSA-N 392.602 5.837 0 30 GKAC C=CCSc1ncc(C=NNc2ccc(Cl)cc2)n1Cc1ccccc1 254697254 PLZVDFZRPLBPEA-UHFFFAOYSA-N 382.920 5.309 0 30 GKAC Clc1ccc(CSc2ccc(N=Cc3cccs3)cc2)cc1Cl 254874635 NWOWXHIMAXMVMV-UHFFFAOYSA-N 378.349 7.098 0 30 GKAC O=C(Nc1cccc(C(F)(F)F)c1)n1nccc1-c1cc(-c2ccccc2)no1 1031748 BQXCQQZMXCCODJ-UHFFFAOYSA-N 398.344 5.304 0 30 GKAC CCCCC[C@H](O)c1ccc([C@H]2CCC(=O)[C@H]2CCCCCCC(=O)O)cc1 38885032 XMQKDOCUWFCMEJ-FSSWDIPSSA-N 388.548 5.788 0 30 GKAC in-vitro Oc1ccc(CC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(O)cc2)cc1 34743041 UHUUGQDYCYKQTC-UHFFFAOYSA-N 398.458 5.086 0 30 GKAC O=C(Nc1cc(NC(=O)c2ccccc2)cc(C(F)(F)F)c1)c1ccccc1 1024217 UEAHUHTZHBWBLA-UHFFFAOYSA-N 384.357 5.210 0 30 GKAC CCOc1cc(-c2cccc(Cl)c2)nc(-c2cccc(C(F)(F)F)c2)c1 33639472 JLQGYDABXXCAKX-UHFFFAOYSA-N 377.793 6.487 0 30 GKAC C[C@]12C/C(=C\c3ccccc3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 253497667 CGFWQQQWRBBZTJ-SMSIIPMXSA-N 394.599 5.835 0 30 GKAC Cc1cc(Cl)ccc1[C@H](Cn1ccnc1)OCc1ccc(Cl)cc1Cl 390822801 KDKSPCVSPMJRCP-IBGZPJMESA-N 395.717 6.110 0 30 GKAC O=C(Nc1ccccc1Cl)c1csc(Cc2c(Cl)cccc2Cl)n1 1047462 WFIKIMHNVLXENH-UHFFFAOYSA-N 397.714 5.946 0 30 GKAC Cc1cc(C)c(C(=O)NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1 1023846 YFOOKIGETCHOFE-UHFFFAOYSA-N 385.678 5.534 0 30 GKAC O=C(NCc1csc(-c2cccs2)n1)Nc1ccccc1-c1ccccc1 1034838 CPQCXUFCPCQANE-UHFFFAOYSA-N 391.521 5.860 0 30 GKAC Cc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(O)c1 1037852 GSBPOMUZGGZJFD-UHFFFAOYSA-N 383.900 5.899 0 30 GKAC Clc1ccc(Oc2ccccc2-n2nncc2-c2ccccc2)c(Cl)c1 1048950 DBEYUZCXEFPGCJ-UHFFFAOYSA-N 382.250 6.033 0 30 GKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 4343886 JHIAVJNQHKCIOU-VGOFRKELSA-N 377.509 6.515 0 30 GKAC Fc1ccc(C=Cc2nc3ccc(Oc4ccccc4)cc3c3c2CCS3)cc1 2265279211 LGYMFVCEBBXMTB-UHFFFAOYSA-N 399.490 6.985 0 30 GKAC O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1 1047396 QOWUNAIQJZWIIJ-UHFFFAOYSA-N 384.309 5.091 0 30 GKAC COc1ccc(C2=Nc3ccccc3S[C@H](c3cccc4ccccc34)C2)cc1 4377306 MIAFJFFQPIGYJN-SANMLTNESA-N 395.527 7.206 0 30 GKAC CN(C)c1ccc(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@@]3(C)C(=O)CC[C@H]23)cc1 248077247 ULYOBMCBSNBRSQ-PMHJDTQVSA-N 389.539 5.970 0 30 GKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 26498340 UVIQSJCZCSLXRZ-BRSOJCHPSA-N 391.555 5.969 0 30 GKAC in-vitro Cc1ccc(-c2cc(-c3cccs3)c(-c3ccc(C(F)(F)F)cc3)n2C)cc1 2152744 UVXPHEVNHMRBLZ-UHFFFAOYSA-N 397.465 7.415 0 30 GKAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 43763862 HTJZKHLYRXPLLS-MHWANNKGSA-N 392.580 5.551 0 30 GKAC Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 3119940 PMGYEXOTEQMQII-UHFFFAOYSA-N 375.497 6.133 0 30 GKAC CCCCC[C@H]1C(=O)C(=Cc2ccc(Br)cc2)C[C@@H]1CC(=O)O 4110276 ITQIFTCSKNMRIM-RHSMWYFYSA-N 379.294 5.093 0 30 GKAC O=C1/C(=C\NCc2ccccc2)c2ccccc2N1c1c(Cl)cccc1Cl 38174961 SGNYAVQMCLEWKA-VKAVYKQESA-N 395.289 5.802 0 30 GKAC CCN(CC)C1=N[C@@]1(C)C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 139083639 JVJXFPNSZJGPMI-HHHXNRCGSA-N 392.546 6.062 0 30 GKAC O=C(C=Cc1ccc(OCc2ccccc2)cc1)NCc1ccc(Cl)cc1 2265278925 YULBFGJSMYNBFX-UHFFFAOYSA-N 377.871 5.249 0 30 GKAC Cc1cc(S(=O)(=O)O)c(/N=N/c2c(O)ccc3ccccc23)cc1Cl 5765123 JUUQHENXZBKKIF-FMQUCBEESA-N 376.821 5.169 0 30 GKAC CN(CCC#N)c1ccc(/N=N/c2nc3cc(Cl)c(Cl)cc3s2)cc1 5140691 ZYGZQXAGOIGRCZ-GHVJWSGMSA-N 390.299 6.368 0 30 GKAC C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)cc(=O)c1C 13307930 VKAOERDMNZUNBK-IUGPZQAISA-N 386.532 5.301 0 30 GKAC in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 19721874 GGCLNOIGPMGLDB-QRXMRQBWSA-N 384.648 7.597 0 30 GKAC in-vitro Cc1ccc(C)c(NC(=S)N(CCc2ccccc2)CCc2ccccn2)c1 1033167 NPAUMMMTQXTYRZ-UHFFFAOYSA-N 389.568 5.183 0 30 GKAC C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@H]2O 3875340 UYIFTLBWAOGQBI-ABMICEGHSA-N 376.496 5.123 0 30 GKAC Fc1ccc(NC(=S)NCc2csc3ccccc23)c(Br)c1 1041432 NUWHFKJFMCWHOJ-UHFFFAOYSA-N 395.322 5.290 0 30 GKAC ClC1=C(COc2ccc(Cl)cc2Cl)CSc2ccc(Cl)cc21 2152999 MMDYKDJJKPOBFH-UHFFFAOYSA-N 392.134 6.781 0 30 GKAC COc1ccc2c(c1)CC[C@H]1C2=Nc2ccccc2S[C@H]1c1ccc(C)cc1 4389092 ZKKGGQFTBQRPPF-OFVILXPXSA-N 385.532 6.534 0 30 GKAC CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 143884854 CQRQBKDKLRADER-CFLGUCEASA-N 384.585 7.662 0 30 GKAC CC(=NOCc1c(F)cccc1Cl)c1cccc(N2Cc3ccccc3C2)c1 254395275 MTYFOKXFRPFSAN-UHFFFAOYSA-N 394.877 5.940 0 30 GKAC O=C(Nc1ccc(F)cc1F)c1csc(Cc2c(Cl)cccc2Cl)n1 1047460 VFHMDKAUJOEWLV-UHFFFAOYSA-N 399.249 5.571 0 30 GKAC Cc1ccccc1[C@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1ccccc1C 5783115 KAURRWFQPSCBHO-VSGBNLITSA-N 394.514 5.475 0 30 GKAC Cc1c(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)sc2ccccc12 1040615 SVDKAQFUEBXOOD-UHFFFAOYSA-N 380.391 5.430 0 30 GKAC Cc1scc(C(=O)O)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1554770693 HPWYADLELSXIKB-UHFFFAOYSA-N 379.437 5.116 0 30 GKAC O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(Cl)c1 1047847 OFAAHGHRGFYULU-UHFFFAOYSA-N 381.206 5.138 0 30 GKAC S=C(NC1CCCCC1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 1035520 QCJXVHCVRQZOHK-WIYYLYMNSA-N 395.597 5.279 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3ccncc3)n1)C(C)(C)CCC2(C)C 3078907 ITADMZHFPIWQLF-UHFFFAOYSA-N 376.569 6.784 0 30 GKAC CN(C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 102924179 PMGFTIDUJNLRSY-PMHJDTQVSA-N 397.603 5.613 0 30 GKAC FC(F)(F)c1cccc(-c2nnc(C3c4ccccc4Oc4ccccc43)o2)c1 4335963 WFUCZQLZSCDWHG-UHFFFAOYSA-N 394.352 6.041 0 30 GKAC Cc1ccccc1O[C@@H](CCN(C)C(=O)Oc1ccccc1)c1ccccc1 38646481 XQRWVVSMZKGEBO-QHCPKHFHSA-N 375.468 5.636 0 30 GKAC CC(C)OC(=S)SC(SC(O)=S)(c1ccccc1)c1ccccc1 100121479 RJJXUXFPXMUSOT-UHFFFAOYSA-N 394.608 5.907 0 30 GKAC CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1 4343937 QOCLRPMIJGICFT-UHFFFAOYSA-N 394.643 8.669 0 30 GKAC CC(C)=Cc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1 33884509 XVTLXEVRHXKZKM-UHFFFAOYSA-N 386.535 7.397 0 30 GKAC CC[C@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 1033155 SRBQLCOQPULAET-HNNXBMFYSA-N 375.312 5.857 0 30 GKAC O=C(Oc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)nnc2ccccc12 1039982 VDYZZDCAXYMHCH-UHFFFAOYSA-N 394.352 5.535 0 30 GKAC Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)c(Cl)c1 1038423 SQHJMHGJKRWWON-UHFFFAOYSA-N 388.176 5.327 0 30 GKAC O=C(c1cccs1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1Cl 4335032 AFCOYDHPOLXTTO-LAUBAEHRSA-N 392.911 5.565 0 30 GKAC O=C(CSCc1csc2ccc(Cl)cc12)Nc1ccccc1Cl 1040617 DKHKCTBTYQJWPM-UHFFFAOYSA-N 382.337 6.080 0 30 GKAC CC[C@H](C)Sc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 4382959 CUIMPVGWUUSQNC-JTQLQIEISA-N 388.842 5.897 0 30 GKAC Cc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)c1Oc1ccc(Cl)cc1 5176606 ASAGLOBAUUASNG-UHFFFAOYSA-N 393.295 5.470 0 30 GKAC Cc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3C)cc2)cs1 1030888 WPTCAMQWQGNSNM-UHFFFAOYSA-N 377.391 5.093 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1cnccc1OC 196663376 LJFZCLQEIIVABN-UHFFFAOYSA-N 398.179 5.146 0 30 GKAC COc1cccc2cc(C(C)=NNc3ncc(C(F)(F)F)cc3Cl)oc12 254827271 OBCBASGEPUIXQU-UHFFFAOYSA-N 383.757 5.345 0 30 GKAC Cc1cc(Nc2ccc(I)cc2F)c2ccccc2n1 1040377 METZVTBAFAXXOU-UHFFFAOYSA-N 378.188 5.031 0 30 GKAC Brc1ccccc1C1(c2ccccc2)c2ccccc2-c2ccccc21 514287133 QVGGTEMPIJOIID-UHFFFAOYSA-N 397.315 6.812 0 30 GKAC CCCCN(C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 3138242 FVYIMPLVUUSCJL-MRXNPFEDSA-N 379.331 5.194 0 30 GKAC Cc1nc(-c2ccccc2)sc1C(=O)Sc1ccc(C(F)(F)F)cc1 2151705 RTDTUBZNXIWSAC-UHFFFAOYSA-N 379.428 6.070 0 30 GKAC CC(C)CCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC(C)C 100236374 WVUCNLQROBXNOX-ZCXUNETKSA-N 396.612 6.622 0 30 GKAC O=C(C[C@H](Sc1ccccc1C(=O)O)c1ccc(Cl)cc1)c1ccccc1 2159122 UELFNFUKKKOLDT-NRFANRHFSA-N 396.895 6.145 0 30 GKAC CC[C@H](C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 14592761 AMUGDUPSOQKGLS-RBKHJLOOSA-N 392.668 8.861 0 30 GKAC C1CCC(P([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 2265360009 XLTOFYXJTSGAAW-FYDZEBOSSA-N 384.588 7.739 0 30 GKAC CCNc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CC[C@@H](C)C3 1034713 RALRDTOYLSPPPU-CYBMUJFWSA-N 397.569 5.223 0 30 GKAC CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5963164 DNVPQKQSNYMLRS-PFQWWJQESA-N 396.659 7.331 0 30 GKAC C[C@@H](CC=C(CC[C@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C 105285478 NWNPVUYOZGIYLE-HJOGWXRNSA-N 392.756 10.080 0 30 GKAC CC1=C(C)C[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 1041538 LJWUFDXBABOATK-BGYRXZFFSA-N 381.859 5.368 0 30 GKAC C[C@]12C=CC(=O)C=C1C=C(CCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 6067826 KAZZIVRRZAPNCV-CVSNDOPFSA-N 386.535 5.642 0 30 GKAC CC(C)(C)c1ccc(OCc2nc(Nc3ccccc3Cl)cc(=O)[nH]2)cc1 13469809 RKVMQPKSSYXHJR-UHFFFAOYSA-N 383.879 5.043 0 30 GKAC CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2O)cc1O 1531702 OEILZVSHVTYHKL-MZYNZGBKSA-N 380.484 5.915 0 30 GKAC biogenic,in-vitro Cc1ccc(C=C(c2nc(O)cs2)c2nc(-c3ccccc3)c(C)s2)cc1 2265276938 XFRDJBLUBXTTQU-UHFFFAOYSA-N 390.533 6.178 0 30 GKAC Cc1ccc(OCc2nnc(S)n2-c2ccc(C(C)C)cc2)c2c1CCC2 1043192 LHRIJCOZFGAAEP-UHFFFAOYSA-N 379.529 5.056 0 30 GKAC Cc1csc2sc(C(=O)N=[S@](C)(=O)c3ccc(Cl)cc3)c(C)c12 100218252 RNNJBBAPXVRNAH-HSZRJFAPSA-N 383.947 5.530 0 30 GKAC CCOC(=O)c1cc2c(c(CSc3cccc(C(F)(F)F)c3)c1)OCOC2 1043550 PZGHWUINNBOYPP-UHFFFAOYSA-N 398.402 5.041 0 30 GKAC CSc1nnc(SCC(=O)c2sc3ccc(Cl)cc3c2C)s1 1040574 ZTRJZHCCCZRLQH-UHFFFAOYSA-N 386.976 5.412 0 30 GKAC CCCCC[C@H](C(=O)O)N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 226787425 YPLZSXFEWOLCFY-JOCHJYFZSA-N 395.499 5.291 0 30 GKAC O=C(C[C@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1cccc(F)c1 4371391 NNQANFFNZRNIEW-NRFANRHFSA-N 398.430 5.769 0 30 GKAC O=S(=O)(c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2151924 AXLVQGWTRIHZGY-UHFFFAOYSA-N 388.716 5.210 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1ccc(Cl)cc1 1042689 JKZCBSHDYCWWMM-UHFFFAOYSA-N 396.657 5.967 0 30 GKAC O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(F)cc1 1035635 HFXMXVKBGKENEC-GGAORHGYSA-N 388.417 5.129 0 30 GKAC Clc1cc(Cl)c2c(c1Cl)Cc1c(Cl)c(Cl)cc(Cl)c1O2 5783892 UJJKLXQRMWQYJE-UHFFFAOYSA-N 388.892 7.304 0 30 GKAC Cc1onc(-c2ccccc2Cl)c1NC(=O)N1c2ccc(F)cc2CC[C@@H]1C 1036365 QJCDNYRIAURCDA-LBPRGKRZSA-N 399.853 5.816 0 30 GKAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 4692024 NZGKYNGOBSDZNY-YNFNDHOQSA-N 378.512 5.354 0 30 GKAC in-vitro c1ccc(N(COCN(c2ccccc2)c2ccccc2)c2ccccc2)cc1 5162382 APRDGZRISPKKRL-UHFFFAOYSA-N 380.491 6.595 0 30 GKAC O=C(Oc1ccc(Cl)cc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1047743 JREHHAPDFNRWQB-UHFFFAOYSA-N 383.614 6.251 0 30 GKAC Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2ccc(Cl)cc12 2148116 NWXBWGLFCQEUSD-UHFFFAOYSA-N 376.333 7.307 0 30 GKAC O=C(Nc1ccc(F)cc1F)Nc1sccc1-c1nc2ccccc2s1 1035309 QQRWJYYTSFRJMV-UHFFFAOYSA-N 387.436 5.947 0 30 GKAC CC(=NOC(=O)c1cccs1)c1sc(-c2ccc(Cl)cc2)nc1C 254309474 OQPMWFNNNOCVSO-UHFFFAOYSA-N 376.890 5.414 0 30 GKAC FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1 19835207 WNQJRGNQJXBGAH-GOSISDBHSA-N 378.419 5.123 0 30 GKAC FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12 1040276 SHKGMCDOKAJHQK-UHFFFAOYSA-N 379.341 5.828 0 30 GKAC O=C(Sc1ccc(Cl)cc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 4394509 FBHXSQPOWWMUSV-UHFFFAOYSA-N 399.682 6.965 0 30 GKAC Clc1ccccc1N/C=C\C1=NN=N[C@H]1c1ccc(Br)cc1 4697387 JQDGRGVKFXJHGE-YDZSZYSISA-N 375.657 5.591 0 30 GKAC Cc1ccccc1[C@@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1ccccc1C 5783068 KAURRWFQPSCBHO-HNRBIFIRSA-N 394.514 5.475 0 30 GKAC Fc1cccc(Cl)c1CSc1nccn1-c1cccc(Cl)c1Cl 1023507 IZMOGQMYCWUTJD-UHFFFAOYSA-N 387.694 6.264 0 30 GKAC CC[C@H](c1ccc(O)cc1)[C@@](CC)(OCCN(CC)CC)c1ccc(O)cc1 141128069 WMPPXHLMLSAGGF-RPWUZVMVSA-N 385.548 5.255 0 30 GKAC Cc1ccc(-c2cc(-c3csc(COc4ccc(Cl)cc4)n3)on2)cc1C 1031694 RPZYETRRTKMONU-UHFFFAOYSA-N 396.899 6.314 0 30 GKAC COc1cccc(-c2nc(=O)[nH]c(-c3ccccc3)c2Oc2ccc(C)cc2)c1 1512338 PHOODKCFOTXTPG-UHFFFAOYSA-N 384.435 5.213 0 30 GKAC C1C[C@H]2C[C@H]1C[C@@H]2COB(OC[C@H]1C[C@H]2CC[C@H]1C2)OC[C@H]1C[C@H]2CC[C@H]1C2 256917142 VHFSLBYLDULHFW-CNQZXYAUSA-N 386.385 5.330 0 30 GKAC Cc1cc(-c2cc(-c3cc(Br)cs3)nc(N)n2)ccc1Cl 1042652 ZIRYNWVPBKLZFD-UHFFFAOYSA-N 380.698 5.179 0 30 GKAC CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O 111900330 LEFLTMHKDAIUHY-UHFFFAOYSA-N 398.628 7.436 0 30 GKAC COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cc1 1035040 FUUQERCYHKHRLG-FQEVSTJZSA-N 383.900 5.198 0 30 GKAC CCOC(=O)c1c(N)sc2c1C[C@@H](c1ccccc1)S[C@@H]2c1ccccc1 3640338 OXRBANIADQQLEL-PKOBYXMFSA-N 395.549 5.627 0 30 GKAC CC1(C)CCC(C)(C)c2cc(-c3csc(-c4ccc(Cl)cc4)n3)ccc21 4390770 LWOUEKYSYUDMMM-UHFFFAOYSA-N 381.972 7.480 0 30 GKAC C[C@@H]1C[C@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21 198552017 VUKZWUYSEFVTRB-XDYRYDPOSA-N 390.608 5.753 0 30 GKAC O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(CC2CCCCC2)c2ccccc12 2265364082 ACFKPINHOINOFB-WCDPBWDZSA-N 391.559 5.315 0 30 GKAC c1ccc(Nc2cc3c(c4ccccc24)Nc2ccccc2N3c2ccccc2)cc1 223573970 CWFJIFORSKDLNH-UHFFFAOYSA-N 399.497 8.110 0 30 GKAC O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccccc1 4323462 BXESCXWLWFAHCY-UHFFFAOYSA-N 388.319 6.075 0 30 GKAC CCCCCC[C@@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5512357 NBWODOKZOKFQJY-VXGBXAGGSA-N 381.727 6.316 0 30 GKAC FC(F)(F)c1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1 4390737 UOANEZPYASZEKF-UHFFFAOYSA-N 389.427 6.014 0 30 GKAC CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 252427832 HYPWZYISERGSIB-AUYAEMIRSA-N 396.767 5.140 0 30 GKAC CCCCCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O 137030277 MHWUJHJVQVPKHD-KVKDIOEXSA-N 388.636 8.557 0 30 GKAC Cc1c(-c2ccccc2)nnn1-c1ccccc1Oc1ccc(Cl)cc1Cl 3170851 PJOGKHSJWPBHGL-UHFFFAOYSA-N 396.277 6.342 0 30 GKAC O=C1c2cccc3c(Sc4ccccc4)ccc(c23)C(=O)N1Cc1ccccc1 4381596 JBAATLFBRCTPTG-UHFFFAOYSA-N 395.483 5.787 0 30 GKAC CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 1033746 XWTCIFXHXDNPGK-NSHDSACASA-N 392.908 5.347 0 30 GKAC CCN(C(=O)Nc1c(-c2c(Cl)cccc2Cl)noc1C)c1ccccc1 1047196 PDHUYTDJOMBDCD-UHFFFAOYSA-N 390.270 6.015 0 30 GKAC O=C(Nc1ccc(Cl)cc1)c1c(C(F)(F)F)ccnc1Oc1ccccc1 4335878 HLLYYWIYLPFEJJ-UHFFFAOYSA-N 392.764 5.798 0 30 GKAC CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 4381328 GROFMWXXTZGLAX-VQTJNVASSA-N 399.874 5.518 0 30 GKAC O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1040724 MJHFHKLZUYWCOD-UHFFFAOYSA-N 376.214 6.177 0 30 GKAC O=C(Nc1ccc(-c2cnco2)cc1)Nc1ccc(Cl)c(Cl)c1Cl 1024483 IHLAVLFWNOLJDX-UHFFFAOYSA-N 382.634 5.946 0 30 GKAC Cn1c(=O)c2cccc3cccc(c32)[s+]1-c1cccc2cccc(C(=O)O)c12 4301009 YQCYSQIEFONMCI-UHFFFAOYSA-O 386.452 5.281 0 30 GKAC S=C(Nc1ccc2ccccc2c1)Nc1cc(Cl)c(Cl)cc1Cl 1045304 VIXBWFHOTWLJMZ-UHFFFAOYSA-N 381.715 6.609 0 30 GKAC COc1ccc(OC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1 1039612 IGCXWKNRRMRQGL-UHFFFAOYSA-N 378.371 5.662 0 30 GKAC COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)sc2C(C)=O)cc1OC 1027853 RMHFNVVBAKZTTJ-UHFFFAOYSA-N 399.443 5.026 0 30 GKAC Cc1onc(-c2ccccc2)c1-c1csc(COc2ccc(Cl)cc2)n1 1031714 LEYIODZDNAVCOZ-UHFFFAOYSA-N 382.872 6.006 0 30 GKAC COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 3045632 RTFWUYGZOPCWEQ-UHFFFAOYSA-N 377.896 6.806 0 30 GKAC Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 6148212 QLTBEQXXIAPYJT-UHFFFAOYSA-N 389.927 5.864 0 30 GKAC COc1cccc(Nc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc23)c1 4307235 IWVZRUGRJXOVII-UHFFFAOYSA-N 389.524 6.408 0 30 GKAC CCCCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O 888085701 FSWMFRRWHNHQAL-UHFFFAOYSA-N 388.507 6.390 0 30 GKAC O=C(Oc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1 2157162 SCJLYUFWVCIRIB-UHFFFAOYSA-N 381.305 6.425 0 30 GKAC CC(C)CCCCCCCCCCCCCOC(=O)CCCCCCC(C)C 96347204 DTWLCXJITDKLQW-UHFFFAOYSA-N 396.700 8.863 0 30 GKAC COc1cccc(NC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1 1034045 QKQQCADDBPRWRX-UHFFFAOYSA-N 391.471 5.824 0 30 GKAC CC[C@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CO 96346588 JYKVWAIMNLZUFM-JOCHJYFZSA-N 399.616 5.492 0 30 GKAC Cc1nc(C(F)(F)F)ccc1-c1nnc(SCc2cc(F)cc(F)c2)o1 1023511 BGGQNDGUTIPWRL-UHFFFAOYSA-N 387.333 5.029 0 30 GKAC O=C(NCc1cccs1)c1csc(Cc2c(Cl)cccc2Cl)n1 1047475 NFQBECYKFWDRLL-UHFFFAOYSA-N 383.325 5.032 0 30 GKAC CN1CCC[C@@H](CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)C1 5699394 LNHXILGMJFWSQG-JOCHJYFZSA-N 398.550 5.194 0 30 GKAC FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccccc2)cc1 20431982 YXZYTPILCOZOFZ-FQEVSTJZSA-N 389.442 5.794 0 30 GKAC CSC1=N/C(=C\Nc2ccccc2Cl)C(=O)N1Cc1cccc(Cl)c1 95629542 WHUKTNQXSAWLKI-YBEGLDIGSA-N 392.311 5.008 0 30 GKAC c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)OCCCO5)cs3)s2)nc1 1031088 GXMMXWHMPUGVNC-UHFFFAOYSA-N 392.505 5.762 0 30 GKAC Cc1cccc(C)c1NC(=O)c1cnc(NC2CCCCC2)cc1C(F)(F)F 20458661 YHVQSHWGBXZHAE-UHFFFAOYSA-N 391.437 5.714 0 30 GKAC CCCCS/C(=N\c1cccnc1)SCc1ccc(Cl)c(Cl)c1 147042549 RLIGNFKWCDQDEY-HEHNFIMWSA-N 385.385 6.843 0 30 GKAC Cc1ccc(CSc2nccc(-c3sc4ccc(Cl)cc4c3C)n2)cc1 2150053 FEMGWTCOGXJGFM-UHFFFAOYSA-N 396.968 6.921 0 30 GKAC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 1047110 BBDMBMYTOOJIJI-UHFFFAOYSA-N 395.764 6.059 0 30 GKAC Cc1cc2nc(CCN(C(=O)Nc3ccccc3C)C3CCCC3)[nH]c2cc1C 1360854 XFBRYILZSYOGIY-UHFFFAOYSA-N 390.531 5.507 0 30 GKAC O=C(O)C[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1Br 39409764 NPDHHRQKABGAJT-ZDUSSCGKSA-N 391.158 5.214 0 30 GKAC Clc1ccc(Cn2c(C=Cc3ccccc3)nc3ccccc32)c(Cl)c1 2265276464 BZCOVVPBYSRENJ-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC CCc1cc(C(C)(C)C)c(O)c(Cc2c(C)c(CC)cc(C(C)(C)C)c2O)c1C 38644525 JTOIRRMZJBJBFB-UHFFFAOYSA-N 396.615 7.025 0 30 GKAC O=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1 1042930 MFSCSVBDDLAACN-UHFFFAOYSA-N 397.809 6.126 0 30 GKAC CC1(C)[C@H]2C[C@H](B3[C@H]4CCC[C@@H]3CCC4)[C@@H](CCOCc3ccccc3)[C@@H]1C2 2265358126 OTFFBHKQLFFQNX-FLEOUKIISA-N 378.409 7.249 0 30 GKAC Cc1ccc(COc2c(-c3ccccc3)c(=O)n3c4c(cc(C)cc24)CCC3)cc1 3466882 WZKGRCVOMLRTOK-UHFFFAOYSA-N 395.502 5.811 0 30 GKAC C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N/c2ccccc2C(=O)O)cc1 138110447 ADPLEQIQBYGELZ-ZNIYIRQMSA-N 394.302 5.861 0 30 GKAC O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@H]2c1ccc(Cl)cc1 4343400 OAQHVOFDSXZHLQ-WWPVKYPJSA-N 388.854 5.645 0 30 GKAC C[C@]12C/C(=C\c3ccccc3)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 13467501 OITODJOSGZOWPD-UCAHCSAVSA-N 392.583 6.043 0 30 GKAC CC(C)(C)c1ccc(NC2=CC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 3119655 VBOANOHESWRUPU-UHFFFAOYSA-N 376.500 5.151 0 30 GKAC C[C@H](c1ccccc1)c1cccc([C@H](C)c2ccccc2)c1OP(=O)(O)O 38652679 PMZOXOKWFQJNEU-IAGOWNOFSA-N 382.396 5.462 0 30 GKAC Cc1sc(C=O)cc1[C@@H]1c2cc(Cl)ccc2CCN1C(=O)OC(C)(C)C 1857524160 ZZGNBOMUPCJILX-GOSISDBHSA-N 391.920 5.405 0 30 GKAC Cc1cc2c(cc1Cl)[C@@]1(OC(=O)c3ccccc31)c1ccc(N(C)C)cc1O2 38611793 HJHGXGDBGOPUTJ-QHCPKHFHSA-N 391.854 5.282 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccn2)n1 1035957 LQTSSMRJMCRSTH-UHFFFAOYSA-N 388.279 6.142 0 30 GKAC O=C(c1ccccc1)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 1043285 JVTPNHQHVZSISC-UHFFFAOYSA-N 394.430 5.357 0 30 GKAC C[C@@H](Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1)C(=O)O 1842649 WGDADRBTCPGSDG-SNVBAGLBSA-N 394.279 5.881 0 30 GKAC in-man Cc1cc(C)c(O)c([C@@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3[C@H]2c2cc(C)cc(C)c2O)c1 267324683 AJYZDMPJXLEGMQ-UUUKHESZSA-N 376.540 6.265 0 30 GKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1cc(Cl)c(Cl)cc1Cl 4306885 VKJGNTQZYXSKFJ-UHFFFAOYSA-N 390.122 6.299 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351379 GLATUUHMBGUZCT-ZTPLRZGISA-N 386.664 7.389 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C1CCCCC1 1047197 PBAXDSGSABCFCX-UHFFFAOYSA-N 382.291 5.753 0 30 GKAC O=C(O)c1ccccc1Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 39127663 DBPDCSOYJCFFCD-UHFFFAOYSA-N 385.461 6.395 0 30 GKAC Cc1ccccc1[C@H](CC(=O)c1ccncc1)c1ccc(Br)cc1 113661458 UFXXYDFRMMZNDI-HXUWFJFHSA-N 380.285 5.557 0 30 GKAC CCCCNC(=O)n1nc(SC)cc1-c1sc(-c2cccs2)nc1C 2151508 VBNJNZPRAJXJNT-UHFFFAOYSA-N 392.575 5.123 0 30 GKAC CC(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CC(C)(C)CC2=O 1037762 ZZMPWPMHSGCQSB-UHFFFAOYSA-N 378.946 6.052 0 30 GKAC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 1047108 HVIZXBDAPBZJPH-UHFFFAOYSA-N 379.765 6.180 0 30 GKAC Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 1030648 BWSSNTAFFZEIRS-UHFFFAOYSA-N 380.753 5.575 0 30 GKAC CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)NC(C)(C)C 3157661 SFVUBZKBBOIZLG-IEZKXTBUSA-N 384.608 5.918 0 30 GKAC CON=CC(=NNc1ccc(C)c(C)c1)C(=O)c1ccc(-c2ccccc2)cc1 254489175 AFPNPWYOQBRKPC-UHFFFAOYSA-N 385.467 5.253 0 30 GKAC CCCCCc1ccc(C(=O)Nc2cccnc2Sc2ccc(C)cc2)cc1 4336329 MHMMACWCRVYCEL-UHFFFAOYSA-N 390.552 6.526 0 30 GKAC Cc1ccc(Cc2c(C)nc(SCc3c(F)cccc3Cl)nc2O)cc1 13463756 LRDITVDJFXBSBW-UHFFFAOYSA-N 388.895 5.475 0 30 GKAC CC1=C(/C=C\C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O)CC1 96341736 YUGCAAVRZWBXEQ-UMHODALSSA-N 384.648 7.619 0 30 GKAC FC(F)(F)c1ccc(-c2ncc3c(n2)-c2cc(Cl)ccc2SC3)cc1 2151758 ZXVYAPOUQGONRU-UHFFFAOYSA-N 378.806 6.089 0 30 GKAC O=c1c(Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)sc2ccccc12 4344311 JNMZCKOVCYUIGL-UHFFFAOYSA-N 397.326 6.826 0 30 GKAC Cc1ccsc1/C=C/c1ccnc(SCc2c(Cl)cccc2Cl)n1 4365946 RLQPZBGNYAKPNN-AATRIKPKSA-N 393.364 6.616 0 30 GKAC Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1 2568328 OBIUJJSQKPGKME-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC biogenic CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1O)c1ccccc1 2583557 IQGBFLWEOUDSLR-RWEWTDSWSA-N 387.523 5.702 0 30 GKAC O=c1c2ccccc2[nH]c(=S)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1042258 ZRKQIALWCAPELT-UHFFFAOYSA-N 390.308 5.086 0 30 GKAC C=C1C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1 214472952 JATCVGLAJNGPID-PKTZIBPZSA-N 399.446 5.178 0 30 GKAC CC1=C(C)C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@@H](C(=O)O)C1 4381326 GROFMWXXTZGLAX-PMACEKPBSA-N 399.874 5.518 0 30 GKAC CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)CO[C@@]4(O)C[C@@]3(C)O 104842746 IBUCSLMTZXQXRS-RPPCDDJVSA-N 386.576 5.004 0 30 GKAC Cc1cccn2c(C=NOCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc12 254606472 GPCSHVDANKFUHN-UHFFFAOYSA-N 393.849 5.653 0 30 GKAC CCCN(CCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4301056 XCONKEKFERLXAP-KRWDZBQOSA-N 393.358 5.584 0 30 GKAC CC(C)N(CCCN1C[C@@H](c2ccc(Cl)cc2)CCc2ccccc21)C(C)C 5314589 PVTZHDYDAGYCAX-QHCPKHFHSA-N 399.022 6.385 0 30 GKAC Clc1ccc(-c2noc(CSc3nc4ccccc4n4cccc34)n2)cc1 1048219 PGUHLNSOVUUXTB-UHFFFAOYSA-N 392.871 5.483 0 30 GKAC Cc1cc(C)cc(Nc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc23)c1 4307239 LLWXMSZHICABHA-UHFFFAOYSA-N 387.552 7.016 0 30 GKAC COC(=O)[C@]1(c2cccc(Oc3ccccc3)c2)[C@H](C=C(Cl)Cl)C1(C)C 81218452 BZCPMDGKZRKHIG-UTKZUKDTSA-N 391.294 5.865 0 30 GKAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccc2ccccc12 4300867 HDMWSXJZXAEOQY-GNMGOMLTSA-N 399.578 6.943 0 30 GKAC O=C1C(=NOCc2c(Cl)cccc2Cl)c2ccccc2N1c1ccccc1 254855784 ZOCQYEWRDLKSLZ-UHFFFAOYSA-N 397.261 5.593 0 30 GKAC CC(C)c1ccc(NC(=O)CSCc2csc3ccc(Cl)cc23)cc1 2154561 BBVWHAQBGYUYSQ-UHFFFAOYSA-N 389.973 6.550 0 30 GKAC COc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(OC)c1OC 4336658 QXTIVWMXRYBDIL-OAQYLSRUSA-N 388.467 5.068 0 30 GKAC O=C(Nc1ccc(Cl)c(Cl)c1)ON=CC1=C(Cl)c2ccccc2CC1 254876602 AMWXJQNAKPNFTF-UHFFFAOYSA-N 395.673 6.124 0 30 GKAC FC(F)(F)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1035932 DVZXEUDWTNUMNP-UHFFFAOYSA-N 379.359 5.147 0 30 GKAC Cc1cc(OC(=O)c2ccco2)nc(SCc2c(Cl)cccc2Cl)n1 1044474 LQLMQIDTZGWDNJ-UHFFFAOYSA-N 395.267 5.196 0 30 GKAC CC(C)(C)Nc1oc(C(F)(F)F)c(C(=O)c2ccccc2)c1NC(C)(C)C 39126824 IBBFXLJBTVVQDH-UHFFFAOYSA-N 382.426 5.950 0 30 GKAC CC(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1 71789846 PQWWLQRSCJJOIS-UHFFFAOYSA-N 392.567 8.250 0 30 GKAC CC(C)(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 1038946 PFWLCJBJHLXRLI-UHFFFAOYSA-N 378.335 5.477 0 30 GKAC Cc1ccccc1C(=O)N(Cc1ccc(Br)cc1)c1ccc(F)cc1 4343782 YZRIVTGVNAUOKX-UHFFFAOYSA-N 398.275 5.744 0 30 GKAC O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1Cc1ccc(Cl)cc1 1036411 OTPAUJGEHCKUGH-CPNJWEJPSA-N 378.884 5.232 0 30 GKAC CC[C@H]1CCC2=C3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]21 263584390 RNNHVJWUPPAZHI-GDBGLCMDSA-N 382.676 8.562 0 30 GKAC Oc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccc(Cl)cc2)n1 5176238 MZUUQAFIAVCPKL-UHFFFAOYSA-N 398.702 5.497 0 30 GKAC O=c1c(Cc2cccc(Br)c2)c(-c2ccccc2)oc2ccccc12 3138115 FRWMPSXGEPIMSS-UHFFFAOYSA-N 391.264 5.813 0 30 GKAC Cc1ccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1 4390747 AGFYQMNJMOSMHR-UHFFFAOYSA-N 388.241 7.111 0 30 GKAC Cc1ccc(S(=O)(=O)C(C#N)=Cc2cccc(Oc3ccccc3)c2)cc1 6131525 FOLFFQKLINFKIW-UHFFFAOYSA-N 375.449 5.126 0 30 GKAC O=C(Nc1ccccc1)O[C@@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1 1037860 YHRKFQVYDOJYTH-LJQANCHMSA-N 394.814 5.606 0 30 GKAC CC1(C)CCc2cc(-c3ccnc(SCc4ccc(Cl)cc4)n3)ccc2O1 1038649 GYHYYDKOGOXRGK-UHFFFAOYSA-N 396.943 6.193 0 30 GKAC CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1Sc1ccc(Cl)cc1 2141922 CFIZLLOUTZQEGH-UHFFFAOYSA-N 396.270 6.009 0 30 GKAC CCCCCC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC(C)C 96330641 OAQWWRSICWQQSE-RUZDIDTESA-N 396.700 9.006 0 30 GKAC CCCCCC[C@H](C[C@H](OC)[C@@H](CCCCCCCC(=O)OC)OC)OC 32158173 GLSGCNPLAXVIFB-NJYVYQBISA-N 388.589 5.296 0 30 GKAC CC(C)(c1ccc([C@@H]2CCCC[C@@H]2O)cc1)c1ccc([C@H]2CCCC[C@@H]2O)cc1 200266101 JJHFVWICUOOOQM-QYOOZWMWSA-N 392.583 6.050 0 30 GKAC CC(C)(C)c1cc(NC(=O)c2cc3ccccc3s2)n(-c2ccc(O)cc2)n1 1565504687 NZXUTCGYWZPFEP-UHFFFAOYSA-N 391.496 5.342 0 30 GKAC Fc1ccc(-c2cn3cccc(OCc4ccc(Cl)c(Cl)c4)c3n2)cc1 1033386 SHYRICYSCMKXEA-UHFFFAOYSA-N 387.241 6.026 0 30 GKAC CCCCCCCCCCCCCCC/C=C/C[C@H](CC(=O)OCC)C(=O)O 142017062 OVVSAGZUERWKOI-ZSVKVYQISA-N 396.612 7.068 0 30 GKAC CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2c3cccc4cccc(c34)[C@@H]12 4334987 SYZVGYQOFKBEKX-FPOVZHCZSA-N 376.843 5.071 0 30 GKAC CN(C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 13467308 PMGFTIDUJNLRSY-BIATYSSJSA-N 397.603 5.613 0 30 GKAC O=C(c1ccc(Cl)cc1Cl)[C@H](Oc1ccc(Cl)cc1)n1ccnc1 39139709 PIHBLZDBWAYBPW-KRWDZBQOSA-N 381.646 5.304 0 30 GKAC FC(F)(F)c1oc(-c2ccc(Cl)cc2)cc1-c1nc(-c2cccs2)no1 4390335 MJYKYFTYTUKBGH-UHFFFAOYSA-N 396.777 6.397 0 30 GKAC Cc1ccc(-c2nc3sccn3c2C=NOCc2c(F)cccc2Cl)cc1 254745180 AYULTHADSBBCGS-UHFFFAOYSA-N 399.878 5.714 0 30 GKAC O=C(Sc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)o1 3169965 NGVZZHTYJUZKSE-UHFFFAOYSA-N 395.332 6.811 0 30 GKAC CCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1N 1033693 SHBVFPQVOWJBLX-UHFFFAOYSA-N 392.842 5.574 0 30 GKAC O=C(c1cccs1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl 1035623 AFCOYDHPOLXTTO-UTKZUKDTSA-N 392.911 5.565 0 30 GKAC COc1cccc(-c2nc(-c3ccccc3Cl)[nH]c2-c2cccc(OC)c2)c1 5115795 RXAYEPUDXSKVHS-UHFFFAOYSA-N 390.870 6.081 0 30 GKAC COc1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 15434915 BWQKTQHTMHSSLY-UHFFFAOYSA-N 375.049 5.017 0 30 GKAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 33986199 VEIABLNKNSOQQY-BLACJIEISA-N 392.967 5.303 0 30 GKAC CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCC(C(F)(F)F)CC1 36047414 DJEHWYVPNYBEPU-UHFFFAOYSA-N 396.375 5.469 0 30 GKAC Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 1030437 BVEYANJNHUEGTJ-UHFFFAOYSA-N 379.872 5.133 0 30 GKAC Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 2568330 ZUTDUGMNROUBOX-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC C[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(C)(C)C1 3179665 NFNNBLCEPKBYIY-IINYFYTJSA-N 381.360 5.669 0 30 GKAC Cc1nc(C=CN(C)C)c(C#N)c(-c2sc3ccccc3c2Cl)c1C#N 33336265 DFPIJHKMNOXXQG-UHFFFAOYSA-N 378.888 5.201 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)O[C@H](Cc1ccccc1)C(F)(F)F 4390146 ZOMGMNPURQWZPP-CQSZACIVSA-N 393.283 5.307 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 34373455 CNGURAIWUJEFTA-DRAXUKGNSA-N 386.664 7.389 0 30 GKAC CC(C)(CC(=O)O)CC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 1034052 RKFALKGSYROJBO-UHFFFAOYSA-N 384.476 5.001 0 30 GKAC COc1ccc(NC(=S)Nc2cc3c(c(N)c2C)C(C)(C)CC3(C)C)cc1 1048267 AHXDOWFENLCVOR-UHFFFAOYSA-N 383.561 5.354 0 30 GKAC Cc1cc(N2CCN(c3nc4cc(Cl)ccc4s3)CC2)c2ccccc2n1 4336357 QHWLDFXFRCBDOJ-UHFFFAOYSA-N 394.931 5.133 0 30 GKAC C[C@]12C/C(=C\c3ccccc3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 13467428 CGFWQQQWRBBZTJ-TZEPMCNISA-N 394.599 5.835 0 30 GKAC CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522176 GVUBMHPQHYDFDE-FPMJCIIYSA-N 382.588 6.913 0 30 GKAC CCCCc1ccc2cc(-c3cc4ccc(CCCC)cc4cc3O)c(O)cc2c1 607717047 JZHCRUINQHHYKJ-UHFFFAOYSA-N 398.546 7.756 0 30 GKAC CCCc1c(C(=O)Sc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 2153077 NEXFSGHEAVWHDS-UHFFFAOYSA-N 391.323 6.064 0 30 GKAC COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OC1CCCC1 1028567 JXJAPILJBHBDGB-UHFFFAOYSA-N 379.378 5.288 0 30 GKAC CCCCC[C@H](O)c1ccc([C@@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 14952796 XMQKDOCUWFCMEJ-BDTNDASRSA-N 388.548 5.788 0 30 GKAC in-vitro O=C(O)c1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1C(=O)O 4367431 FIUIHIPSDDZKQA-UHFFFAOYSA-N 380.010 5.364 0 30 GKAC Cc1c(-c2csc(CS(=O)(=O)C(C)(C)C)n2)sc2ccc(Cl)cc12 1047070 SZHVWTRSFHQFAW-UHFFFAOYSA-N 399.990 5.700 0 30 GKAC CC(=O)c1ccccc1OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1048969 RAAIVMRPGBVWCB-UHFFFAOYSA-N 376.252 5.146 0 30 GKAC Cc1nn(-c2cc(Cl)ccc2Cl)c(N)c1-c1nc(C(C)(C)C)cs1 3127530 KGEIUQAELAPILN-UHFFFAOYSA-N 381.332 5.491 0 30 GKAC O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 1039531 CKHDMLLPMIMYGC-KRWDZBQOSA-N 378.781 5.123 0 30 GKAC O=C(O)COc1ccc(-c2sc3ccccc3c2Cl)c(Cl)c1Cl 1998340 QGJGUVQUHAHCER-UHFFFAOYSA-N 387.671 5.992 0 30 GKAC O=C(c1ccc(F)cc1)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 4334711 SMGOTBCZCKQKOT-UHFFFAOYSA-N 392.430 6.063 0 30 GKAC Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 115960713 RVDNZFKCXWIMPD-UHFFFAOYSA-N 392.255 5.193 0 30 GKAC CCCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@@H]1c1ccc(F)cc1O 299803454 QQZZWLWHWXXPBP-YCRPNKLZSA-N 375.528 5.609 0 30 GKAC FC(F)(F)c1cccc2c3c(c(C=Cc4ccccc4Cl)nc12)CCS3 2265279206 HXLRRJOTSRPWKX-UHFFFAOYSA-N 391.845 6.726 0 30 GKAC CCSc1nccc(C(F)(F)F)c1C(=O)N(CC)c1c(C)cccc1C 1042999 UXKHPWQFAHIQBP-UHFFFAOYSA-N 382.451 5.496 0 30 GKAC CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 953014493 FDNSXGJAVAUPJG-UBBSCCEASA-N 378.547 7.634 0 30 GKAC Cc1ccc(C=Cc2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 2265276907 PRHLQJQDOKGNAK-UHFFFAOYSA-N 376.862 6.356 0 30 GKAC Clc1ccccc1CSc1nccc(-c2csc(-c3ccccc3)n2)n1 1047790 AQUWTKVKNDWLKQ-UHFFFAOYSA-N 395.940 6.213 0 30 GKAC O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1cccs1)c1ccsc1 4709750 KIIAGXCRQUKCBF-YBEGLDIGSA-N 379.428 6.008 0 30 GKAC COc1ccc(-c2csc(=NCc3ccc(Cl)cc3)n2C(C)(C)C)cc1 254821293 XFPJZUGVUXVDNL-UHFFFAOYSA-N 386.948 5.735 0 30 GKAC COc1ccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2ccc(OC)cc2)cc1 608375 ITFWPRPSIAYKMV-UHFFFAOYSA-N 392.405 5.706 0 30 GKAC in-man CC(C)CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C 5758045 HLPUIYHSLAVSHY-UHFFFAOYSA-N 382.673 8.473 0 30 GKAC CCCCCCCCCCCC(=O)[C@@H](CCCCCCCCCC)C(=O)O 78739620 LZCSGXIVRQXJNJ-JOCHJYFZSA-N 382.629 7.708 0 30 GKAC Fc1cccc(Cl)c1Cn1c(C=Cc2ccccc2Cl)nc2ccccc21 2265278840 CANABVIQUINUCW-UHFFFAOYSA-N 397.280 6.701 0 30 GKAC COc1cc(OCc2ccccc2)ccc1-c1ccc(N2[C@@H](C)CC[C@H]2C)cn1 263584385 RKEVHWZKTBTHNY-KDURUIRLSA-N 388.511 5.713 0 30 GKAC O=C1C(=Nc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1 254507919 RYYQQVJNXYGWHF-UHFFFAOYSA-N 381.262 5.661 0 30 GKAC COc1cc2c(cc1OC)[C@@H](CCc1c(Cl)cccc1Cl)N(C)CC2 1999653 LXGKFCALTYIGBW-GOSISDBHSA-N 380.315 5.172 0 30 GKAC CCOP(=O)(OCC)O/C(=C/Cl)c1cc(Cl)c(Cl)cc1Cl 5859564 CLHQARIBFJSSMD-KPKJPENVSA-N 394.018 6.382 0 30 GKAC CCCC[Sn](CCCC)(CCCC)Oc1ccccc1 196001840 WSFFSRSHQHHVHH-UHFFFAOYSA-M 383.164 6.411 0 30 GKAC COc1cc2c(cc1OC)[C@@H](CCc1cccc(Cl)c1Cl)N(C)CC2 1999657 VGQBGHMODQMJEJ-QGZVFWFLSA-N 380.315 5.172 0 30 GKAC CON=Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 254834951 OOLBELPPNREUEW-UHFFFAOYSA-N 375.595 5.328 0 30 GKAC O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 1045828 ACSNPYZFOVVQKY-UHFFFAOYSA-N 396.324 5.390 0 30 GKAC O=C(Nc1cccnc1Sc1ccc(Cl)cc1)c1cccc2ccccc12 4336340 FOWXTNJXMBOYTK-UHFFFAOYSA-N 390.895 6.292 0 30 GKAC O=C(c1ccc(F)cc1)c1cc2cc(Br)cc(Br)c2o1 1043370 JGMSLSVPFOUMOU-UHFFFAOYSA-N 398.025 5.328 0 30 GKAC Cc1cc(C)c(C(=O)Sc2ccc(Cl)cc2)c(CC(C)(C)C(=O)O)c1 3162365 UEIYYIDGVFOFEI-UHFFFAOYSA-N 376.905 5.543 0 30 GKAC FC(F)(F)c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)nc1 4394805 FJWUFHKMXKFDEN-UHFFFAOYSA-N 378.357 5.286 0 30 GKAC CC(=NOC(=O)c1ccc(F)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 254623463 IAQYZTHTHVIENO-UHFFFAOYSA-N 388.851 5.492 0 30 GKAC Clc1ccc(C=Cc2nc3ccccc3n2Cc2ccccc2)c(Cl)c1 2265276947 ZTCVKEZSFBVMEE-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 1033747 XWTCIFXHXDNPGK-LLVKDONJSA-N 392.908 5.347 0 30 GKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1 1034046 XSLFNHRYTYBNGF-UHFFFAOYSA-N 379.435 5.955 0 30 GKAC CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(C)cc1 1036445 BKXVZPYBLYYILE-UHFFFAOYSA-N 380.469 5.544 0 30 GKAC Cc1ccc(CN(C(=O)NCCc2nc3ccccc3[nH]2)c2ccc(C)cc2)cc1 45235432 WREMKJRXSOJIRA-UHFFFAOYSA-N 398.510 5.139 0 30 GKAC Clc1cccc(Cl)c1CSc1nccc(C=Cc2cccs2)n1 2265278938 DCFNXMIFSBPKSZ-UHFFFAOYSA-N 379.337 6.308 0 30 GKAC O=C(O)CCc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 228099582 OEHVDKSUCBMXDK-UHFFFAOYSA-N 387.435 5.065 0 30 GKAC CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(Cl)(Cl)Cl 1026233 MDPLTDODTAASJA-UHFFFAOYSA-N 397.110 5.580 0 30 GKAC Clc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc34)C2)cc1 4377305 MNUBKPPYLJZTNY-RUZDIDTESA-N 399.946 7.851 0 30 GKAC O=C(/C(=C/c1ccccc1Cl)n1ccnc1)c1ccc(Cl)cc1Cl 39139732 XMFUVIQLSXWEQN-MFOYZWKCSA-N 377.658 5.724 0 30 GKAC CC(C)CCCCCOB(OCCCCCC(C)C)OCCCCCC(C)C 196575698 XMLAPNGGLRZABE-UHFFFAOYSA-N 398.481 7.670 0 30 GKAC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1c(C)c(C)c(C)c(C)c1C 3170884 OWRBRDVCPXCJPT-UHFFFAOYSA-N 385.866 6.216 0 30 GKAC C1C[C@H]2C[C@H]1C[C@@H]2COB(OC[C@@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2 256917147 VHFSLBYLDULHFW-SNVSEMBOSA-N 386.385 5.330 0 30 GKAC CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2cc(Cl)ccc2C#N)c(C)c1 5139605 WYVLRPOSNIXJHM-OCOZRVBESA-N 384.935 5.468 0 30 GKAC C=Cc1ccccc1[C@H](OC/C=C\c1ccccc1)OC/C=C/c1ccccc1 267331227 ZBXJEGXAEQBVJF-VDCYRIOXSA-N 382.503 6.788 0 30 GKAC COc1ccc(-c2c(C(F)(F)F)nn3c(C)c(-c4ccccc4)c(C)nc23)cc1 1032670 FZXRORXHZQMPOE-UHFFFAOYSA-N 397.400 5.708 0 30 GKAC C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(C)(C)C1 3179669 NFNNBLCEPKBYIY-HZMBPMFUSA-N 381.360 5.669 0 30 GKAC C[C@@H]1C[C@H]2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21 139289152 VUKZWUYSEFVTRB-NWMJDDODSA-N 390.608 5.753 0 30 GKAC Nc1ccccc1CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 536558954 CDDMWHVNRRNZPH-UHFFFAOYSA-N 379.503 5.820 0 30 GKAC COc1ccc(C2=NN(c3ccccc3)[C@H](c3c(Cl)cccc3Cl)C2)cc1 4301196 PMVQEBNDPRAHAH-NRFANRHFSA-N 397.305 6.358 0 30 GKAC CCc1ccccc1NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1041802 MNAXJGYDUXSGAI-UHFFFAOYSA-N 382.916 6.504 0 30 GKAC Clc1ccc(SCc2nsc(Sc3ccc(Cl)cc3)n2)cc1 2141827 GOCZRSVWMZBAJR-UHFFFAOYSA-N 385.366 6.288 0 30 GKAC CCCCC[C@H]1CC[C@H](c2ccc(C(=O)O[C@H]3CC[C@H](CCC)CC3)cc2)CC1 267328936 PEXDPLSTNBSZFP-ZFUCAUIQSA-N 398.631 8.056 0 30 GKAC O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccccc1 1043055 FMUXDGGOHZRYSN-UHFFFAOYSA-N 394.299 5.423 0 30 GKAC Clc1ccc(C2=Nc3ccccc3S[C@H](c3cccc4ccccc34)C2)cc1 4377302 MNUBKPPYLJZTNY-VWLOTQADSA-N 399.946 7.851 0 30 GKAC Cc1cc(C)c2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C2=O 1045561 AYONQQSBVYCCQR-UHFFFAOYSA-N 375.390 5.340 0 30 GKAC Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl 2573812 CXOYNJAHPUASHN-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC biogenic,in-vitro O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl 4321674 KIVPAQOSHKOTLB-UHFFFAOYSA-N 395.263 5.553 0 30 GKAC CC[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 504160977 NVEUTAILVQWGRY-OAQYLSRUSA-N 385.429 6.059 0 30 GKAC C[C@@H](CCCC(C)(C)O)CC(OCCc1ccccc1)OCCc1ccccc1 33611143 BZYVVVVWNQNWHX-QFIPXVFZSA-N 398.587 5.799 0 30 GKAC CC(C)CCCCCC(=O)OCCOCCOC(=O)CCCCCC(C)C 33987130 FWIUBOWVXREPPL-UHFFFAOYSA-N 386.573 5.302 0 30 GKAC FC(F)(F)c1cnc(Sc2nccc(C=Cc3cccs3)n2)c(Cl)c1 2265278993 QEIYHJVOSCHXGG-UHFFFAOYSA-N 399.850 5.927 0 30 GKAC O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cccc(F)c1 2141972 DKVUXIYIGXKNKW-UHFFFAOYSA-N 388.225 5.616 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351376 GLATUUHMBGUZCT-CUNRUCHJSA-N 386.664 7.389 0 30 GKAC CCOP(=O)(Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)OCC 115022611 QJNXKRIMFBDEFY-UHFFFAOYSA-N 389.310 5.659 0 30 GKAC O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 2142953 GOPAJWSTMQCMOT-UHFFFAOYSA-N 383.675 5.510 0 30 GKAC Cc1csc2sc(C(=O)N=[S@@](C)(=O)c3ccc(Cl)cc3)c(C)c12 13466136 RNNJBBAPXVRNAH-QHCPKHFHSA-N 383.947 5.530 0 30 GKAC CC(=O)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 100206369 NYJPQNDSCIEILZ-YPWXQOIPSA-N 386.620 6.322 0 30 GKAC in-vitro COc1ccc([C@H]2c3ccsc3CCN2C(=O)c2ccccc2Cl)cc1 4389597 PRHSXSAXHXRGIY-FQEVSTJZSA-N 383.900 5.198 0 30 GKAC CCCCCc1ccc(NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 3128753 PFQCTTTUMUAZKU-UHFFFAOYSA-N 385.722 7.024 0 30 GKAC Clc1ccc(SCc2cc(Br)cc(Br)c2)cc1 3170856 SGCBFVPLPJUDOF-UHFFFAOYSA-N 392.543 6.157 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2265351408 HVYWMOMLDIMFJA-NQNIWYSRSA-N 386.664 7.389 0 30 GKAC FC(F)(F)c1cccc(-c2noc(-c3ccc(-c4cccs4)s3)n2)c1 1039579 JRFCEFTZZSNMRP-UHFFFAOYSA-N 378.400 6.212 0 30 GKAC OC(c1cc(Cl)cc(Cl)c1)(c1cc(Cl)cc(Cl)c1)[C@H]1CCCN1 21983409 BVTHIQKKOJAMGB-MRXNPFEDSA-N 391.125 5.288 0 30 GKAC Cc1ccc(NC(=O)c2cc3ccccc3oc2=Nc2ccc(Cl)cc2)cc1 254502087 XZHDIEIAAAMRSK-UHFFFAOYSA-N 388.854 5.879 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1N1CCCCC1 1046258 NSJJLKSWQVDBPB-UHFFFAOYSA-N 380.366 5.186 0 30 GKAC CC(C)(C)c1ccc(C(=O)NCCSC(=O)c2ccc(C(C)(C)C)cc2)cc1 4300748 RNWYHMHJWILHNG-UHFFFAOYSA-N 397.584 5.585 0 30 GKAC CCOc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13979960 PLRHPDHSKZBPIH-UHFFFAOYSA-N 380.484 5.364 0 30 GKAC CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 1033444 HUVHYVIXJFWTKA-UHFFFAOYSA-N 377.513 5.206 0 30 GKAC CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=O)NC(C)(C)C)CCC[C@]21C 13464368 SFVUBZKBBOIZLG-NQHRYMMQSA-N 384.608 5.918 0 30 GKAC Cc1oc(C(C)(C)C)cc1C(=O)NCCSCc1c(F)cccc1Cl 4325004 VIHLHTKPBSTOIK-UHFFFAOYSA-N 383.916 5.341 0 30 GKAC O=C(C[C@@]1(c2ccc(Cl)cc2)CC(c2ccccc2)=NO1)c1ccccc1 32266096 DUMYTKKRHLETSV-HSZRJFAPSA-N 375.855 5.633 0 30 GKAC C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 5764460 AAGOOGMSOHOVSE-BZDYCCQFSA-N 376.496 5.474 0 30 GKAC FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccccn2)cc1 19835154 ANSDVXNZZFSGFO-IBGZPJMESA-N 390.430 5.189 0 30 GKAC CCCN(CCC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4301057 XCONKEKFERLXAP-QGZVFWFLSA-N 393.358 5.584 0 30 GKAC Cc1c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)sc2ccccc12 4390732 ZUFYYGVEKHAAJS-UHFFFAOYSA-N 375.440 7.019 0 30 GKAC CSC1=N/C(=C\c2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 4698156 IGKGMXRXIDAYJF-YBEGLDIGSA-N 377.296 5.096 0 30 GKAC O=C(CSc1nccc(-c2cccs2)n1)Nc1cccc(Cl)c1Cl 1032586 XSVUEKZLKVVBPA-UHFFFAOYSA-N 396.324 5.243 0 30 GKAC O=C(Oc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 1038735 BZLBVIXCBPVKOG-UHFFFAOYSA-N 379.359 5.205 0 30 GKAC CC(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 1047608 OLINOABQTPWBNX-UHFFFAOYSA-N 386.904 5.849 0 30 GKAC CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 4217394 XAVRSHOUEXATJE-FBQZJRKBSA-N 382.588 6.607 0 30 GKAC biogenic,in-man CC(C)Cc1ccc([C@@H](C)c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 4390560 MQKTXWOWFGVYAT-CQSZACIVSA-N 390.405 5.986 0 30 GKAC FC(F)(F)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)cc1 4389093 CGGHDIJVDHCOOT-XMSQKQJNSA-N 395.449 6.846 0 30 GKAC COc1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(OC)c1OC 4336657 QXTIVWMXRYBDIL-NRFANRHFSA-N 388.467 5.068 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 140273876 TZBLAUYQUCMXFC-OWDZWQNUSA-N 398.719 8.910 0 30 GKAC Cc1nn(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc1-c1ccccc1 5765016 CLBWALOVEYKEEL-UHFFFAOYSA-N 379.419 5.016 0 30 GKAC FC(F)(F)c1ccc2[nH]c(SCc3c(Cl)cccc3Cl)nc2c1 1040756 QLHLMIBJORTAJV-UHFFFAOYSA-N 377.218 6.181 0 30 GKAC CSc1cccc(NC(=O)C[C@@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)c1 4371621 MADAZVGQGNYULE-ZDUSSCGKSA-N 397.418 5.014 0 30 GKAC C[C@]12C/C(=C\c3ccccc3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 253497668 CGFWQQQWRBBZTJ-VVBYNPARSA-N 394.599 5.835 0 30 GKAC C1C[C@H]2C[C@H]1C[C@@H]2COB(OC[C@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2 256917150 VHFSLBYLDULHFW-VNFOINCVSA-N 386.385 5.330 0 30 GKAC Cc1cc(C)n(-c2nnc(SCc3ccccc3Cl)c3ccccc23)n1 1366887 MXPMBYNRVHODNE-UHFFFAOYSA-N 380.904 5.378 0 30 GKAC Cc1nc(-c2ccc(-c3csc(-c4cnccc4C(F)(F)F)n3)cc2)no1 1035815 VDSNGTJZTKGHEI-UHFFFAOYSA-N 388.374 5.249 0 30 GKAC O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)c(Cl)c1 4300034 JCTLJVAUJCLSQZ-UHFFFAOYSA-N 381.003 5.286 0 30 GKAC C=CCOc1ccc2ccccc2c1C=NOCc1c(Cl)cccc1Cl 263632736 QHSODXKZYFCZGN-UHFFFAOYSA-N 386.278 6.262 0 30 GKAC COc1cc2c(cc1OC)[C@H](CCc1cccc(Cl)c1Cl)N(C)CC2 1999659 VGQBGHMODQMJEJ-KRWDZBQOSA-N 380.315 5.172 0 30 GKAC Cc1c(C(=O)O)cc(C(C)(C)C)n1CCSCc1c(F)cccc1Cl 4390752 FJXSHSRHDYBHFQ-UHFFFAOYSA-N 383.916 5.518 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(N2CCCCC2)cc1 1033507 BEJCVPJKRFMCFX-UHFFFAOYSA-N 379.382 5.220 0 30 GKAC c1ccc2c(c1)CCN(c1ncnc3scc(-c4ccc5ccccc5c4)c13)C2 4299621 OXWSYKBOJMHVQX-UHFFFAOYSA-N 393.515 6.074 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265347482 GGCLNOIGPMGLDB-IECHNTASSA-N 384.648 7.597 0 30 GKAC CCCCCCCCCCC[C@@H](O)[C@H](CCCCCCCCCC)C(=O)O 111903062 NRUVALJAGRJLKU-XZOQPEGZSA-N 384.645 7.500 0 30 GKAC CCC(CC)C(=O)OC[C@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C[C@H]1COC(=O)C(CC)CC 585139026 XQEFKLYZHZAQJH-PZENNZQWSA-N 392.580 5.244 0 30 GKAC Clc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1Cl 34440783 BIUASSFHSZWTPJ-UHFFFAOYSA-N 384.306 5.846 0 30 GKAC CC(C)SC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl 254824210 JADATXHYDRYDGR-UHFFFAOYSA-N 398.746 6.648 0 30 GKAC COC(=O)c1ccc(Cn2c(C=Cc3ccccc3)nc3cc(C)c(C)cc32)cc1 2265276879 ITPIJWVGSAQEIK-UHFFFAOYSA-N 396.490 5.658 0 30 GKAC C/C=C(\C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)cc(=O)c1C 13307936 VKAOERDMNZUNBK-XICFNQDWSA-N 386.532 5.301 0 30 GKAC in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 261362690 HVYWMOMLDIMFJA-LRIVNMGRSA-N 386.664 7.389 0 30 GKAC C[C@]12ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]1(C)OC(=O)N2c1ccccc1 137135432 BMMZOWMHEFVJGH-QTJGBDASSA-N 386.451 5.311 0 30 GKAC Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)Oc1ccc(C(C)(C)C)cc1 1039533 KCFLTRTWFRXZDT-UHFFFAOYSA-N 380.337 5.814 0 30 GKAC Cc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 1043466 PBOCISFXBMRHEZ-UHFFFAOYSA-N 398.553 5.465 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 140273562 TZBLAUYQUCMXFC-LKHYOGBDSA-N 398.719 8.910 0 30 GKAC FC(F)(F)c1ccccc1NC(=S)Nc1ccc(-c2csnn2)cc1 1035005 SVKNHNNPLYIAKK-UHFFFAOYSA-N 380.420 5.033 0 30 GKAC O=C(O)CCCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 4325131 GTAPDBCIHYBTLZ-UHFFFAOYSA-N 398.311 5.016 0 30 GKAC FC(F)(F)Oc1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 4395015 GGDBQJNQCSCENH-UHFFFAOYSA-N 379.447 6.177 0 30 GKAC COC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)=O 140475307 HQVMGAUUVBVVRO-UHFFFAOYSA-N 396.656 7.941 0 30 GKAC COc1cc(NC(=O)[C@H](c2ccccc2)C2CCCC2)cc(C(F)(F)F)c1 1033085 WCXVHXLJJRQJQB-LJQANCHMSA-N 377.406 5.627 0 30 GKAC CCCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](O)CO 32840917 HPTOSMWVVSKAGZ-DGSRBQDKSA-N 384.601 5.701 0 30 GKAC CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)[C@H]3CC[C@]21C 2539094 QHZGEIFOKNRJQD-XRWCPNORSA-N 384.648 7.431 0 30 GKAC CCCC[C@]1(Cc2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O 3958093 CKSUCEHRJPQBAD-SANMLTNESA-N 381.475 6.050 0 30 GKAC FC(F)(F)c1nc2ccccc2nc1NN=Cc1c(Cl)cccc1Cl 254860424 MMWRPDZNOPFAAH-UHFFFAOYSA-N 385.176 5.401 0 30 GKAC COc1ccc(-c2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 1040329 CJBZKDWWJIGHRP-UHFFFAOYSA-N 393.512 5.006 0 30 GKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343835 UIHTYLURQRTVDO-XXBNENTESA-N 375.924 6.870 0 30 GKAC Cc1ccc(C)c(COc2ccc(C)nc2NC(=S)NCc2ccccc2)c1 1043280 QAUPHHUCNBNZIT-UHFFFAOYSA-N 391.540 5.072 0 30 GKAC CC(C)CCCCCOP(=O)(OCCCCCC(C)C)Oc1ccccc1 5758472 NQOFUSUDAMVORD-UHFFFAOYSA-N 398.524 7.640 0 30 GKAC CC(=NOC(=O)Nc1ccc(C)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 254312010 OVQLPDQQVDQWTL-UHFFFAOYSA-N 399.903 6.053 0 30 GKAC O=C(NCc1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1Cl 1034843 WZZZBMZACIFGQF-UHFFFAOYSA-N 384.313 5.500 0 30 GKAC O=C(Nc1cccc(C(F)(F)F)c1)Nc1csc(Cc2ccsc2)n1 1040559 SIHIJHZLTJICLP-UHFFFAOYSA-N 383.420 5.458 0 30 GKAC CN(C)c1ccc(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1 13466820 ULYOBMCBSNBRSQ-BIATYSSJSA-N 389.539 5.970 0 30 GKAC O=C1C(=Nc2ccc(Br)cc2)c2ccccc2N1c1ccccc1 254401414 DYHQVRDUDUGAKP-UHFFFAOYSA-N 377.241 5.248 0 30 GKAC CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 33608985 JEDQSFKWKKVGLW-UHFFFAOYSA-N 396.527 6.197 0 30 GKAC Fc1cccc(Cl)c1CSc1nc2nccc(C=Cc3ccccc3)n2n1 2265279063 MGURGFRHUAWJOR-UHFFFAOYSA-N 396.878 5.380 0 30 GKAC Cc1c(-c2ccnc(SCc3ccccc3)n2)sc2ccc(Cl)cc12 2150051 AXSQNTLEACAWES-UHFFFAOYSA-N 382.941 6.612 0 30 GKAC Cc1cc(C(c2cc(C)cc(C(C)(C)C)c2O)C(C)C)c(O)c(C(C)(C)C)c1 38644496 YRVBJWCQIAOZEB-UHFFFAOYSA-N 382.588 7.098 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1nc(C)cc(C)n1 198375392 LJHVNCHZBCXZSS-UHFFFAOYSA-N 397.195 5.150 0 30 GKAC Cc1nc(C(F)(F)F)ccc1-c1nnc(SC(=O)c2ccc(Cl)cc2)o1 3078876 WAYHJVKXLKNEPZ-UHFFFAOYSA-N 399.781 5.045 0 30 GKAC CC1(C)OC[C@@H](CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)O1 5455030 DVLUIQKNFOKCIV-YFKPBYRVSA-N 396.550 6.197 0 30 GKAC CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 585123367 RUSSPKPUXDSHNC-TVNUEEODSA-N 382.632 7.229 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 299803315 HYEPNQUMDGDLRJ-ZOVSLEGHSA-N 398.719 9.198 0 30 GKAC COc1cc(NC(=O)[C@@H](c2ccccc2)C2CCCC2)cc(C(F)(F)F)c1 1033084 WCXVHXLJJRQJQB-IBGZPJMESA-N 377.406 5.627 0 30 GKAC CCC[C@@H]1c2ccsc2CCN1C(=S)Nc1ccc(Cl)cc1Cl 1035063 BSMAWEBBKYGSCB-OAHLLOKOSA-N 385.385 6.151 0 30 GKAC Cc1cc(C)c(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C)c1 1046652 LXKFVOAKRCOCRU-UHFFFAOYSA-N 391.555 5.644 0 30 GKAC CC(C)(C)c1csc(-c2sccc2CSc2ccc(Cl)cc2)n1 2157899 SSFCLAQYCDAGRX-UHFFFAOYSA-N 380.003 7.115 0 30 GKAC CCCC[C@@](CC)(CO)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 96328580 BBSHWPYNESPBAW-KRWDZBQOSA-N 397.726 5.148 0 30 GKAC CC(C)CCCCCOC(=O)c1ccc(C(=O)OCCCCCC(C)C)cc1 34334746 KFROBPVFLIZCHZ-UHFFFAOYSA-N 390.564 6.433 0 30 GKAC CCCCCCCCCCCCCCCc1cccc(O[C@@H](CC)C(=O)O)c1 100060573 MTBHDSNPUORPTN-DEOSSOPVSA-N 390.608 7.562 0 30 GKAC Cc1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1024762 ZUJCITYIJJVILW-UHFFFAOYSA-N 387.323 5.626 0 30 GKAC O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1)c1ccccc1 1042309 ZKYDJUBYPLXEJV-UHFFFAOYSA-N 383.856 5.554 0 30 GKAC O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2ccc3ccccc3c2s1 2158734 HXEWQWHBRCWGRO-UHFFFAOYSA-N 385.410 6.003 0 30 GKAC Clc1ccc(OCCCCCCCCCCOc2ccc(Cl)cc2)cc1 4336264 UDAZPKIEPIRTOC-UHFFFAOYSA-N 395.370 7.572 0 30 GKAC CN(C)CC[C@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1 5957953 JDQWJVUVMKPZLU-DEOSSOPVSA-N 399.490 5.532 0 30 GKAC in-man Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nc2cccc(F)c2c(=O)o1 1037892 ZQYHSEMXZJYJPA-UHFFFAOYSA-N 391.185 5.264 0 30 GKAC Clc1ccc(N=Cc2ccn(-c3ccc(Br)cc3)c2)cc1Cl 254451722 VBUIKMSQVVJUPU-UHFFFAOYSA-N 394.099 6.297 0 30 GKAC O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 1034034 TXTYEMPTOAVOED-UHFFFAOYSA-N 391.324 5.676 0 30 GKAC C[C@@H](CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)(C)C 33606473 OZVDVFHHRMNCDJ-NSHDSACASA-N 381.727 6.031 0 30 GKAC CCOC(=O)c1ccc(N=Cc2ccccc2Oc2ccc(Cl)cc2)cc1 254754152 ZMRHXCUXGNWXIW-UHFFFAOYSA-N 379.843 6.060 0 30 GKAC O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 1048655 UCWDWMVEULQJGP-UHFFFAOYSA-N 384.111 5.415 0 30 GKAC CSc1nsc(Sc2nc3c(Cl)c(Cl)cc(Cl)c3[nH]2)n1 5424997 DFNZCGDKDPIQQY-UHFFFAOYSA-N 383.738 5.248 0 30 GKAC in-man CCCCC1CCC([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 585139113 FDNSXGJAVAUPJG-FOUKWCRFSA-N 378.547 7.634 0 30 GKAC CC(C)(C)c1ccccc1NC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1030452 HJTKVQCQEAINDN-UHFFFAOYSA-N 387.455 6.030 0 30 GKAC Cc1csc(NC(=O)c2ccccc2C(=O)O)c1-c1nc2ccccc2s1 1032596 AHRQAUPUDQWMOE-UHFFFAOYSA-N 394.477 5.284 0 30 GKAC CC(=NOCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(F)cc1 4091572 PTXMICIGMHQXQP-MOPGFXCFSA-N 381.369 5.420 0 30 GKAC CCCCCCCCCCCCCCCC[C@@H](CCS(=O)(=O)O)C(=O)O 100128363 VMMSAWGTIODNHH-IBGZPJMESA-N 392.602 5.837 0 30 GKAC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 1047109 WEMLQYBQOFDTCH-UHFFFAOYSA-N 379.765 6.180 0 30 GKAC CO[P@@](=O)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1 2014280 MAKUYRKZFGSMMG-HXUWFJFHSA-N 396.004 5.300 0 30 GKAC CCC(CC)C(=O)OC[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H]1COC(=O)C(CC)CC 585139022 XQEFKLYZHZAQJH-BPIQYHPVSA-N 392.580 5.244 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 5453142 CNGURAIWUJEFTA-YMJYQEKXSA-N 386.664 7.389 0 30 GKAC CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522173 GVUBMHPQHYDFDE-IHSNNEEYSA-N 382.588 6.913 0 30 GKAC c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1 169052381 MAOFYQZGOHNLTP-UHFFFAOYSA-N 397.521 8.431 0 30 GKAC FC(F)(F)c1c(-c2nc(-c3ccc(Cl)cc3)no2)cnn1-c1ccccc1 1026442 KSCOQJAYKKNATJ-UHFFFAOYSA-N 390.752 5.262 0 30 GKAC CC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CC(C)C)CC(C)C 5599053 OQTICVORXAJFST-PMACEKPBSA-N 390.564 6.145 0 30 GKAC CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=O)NC(C)(C)C)CCC[C@@]21C 102932093 SFVUBZKBBOIZLG-SDUSCBPUSA-N 384.608 5.918 0 30 GKAC Clc1ccc(Oc2ccc(-c3nc(-c4ccc(Cl)cc4)cs3)cn2)cc1 3127466 KYSXGBACNGPKEA-UHFFFAOYSA-N 399.302 6.971 0 30 GKAC CCOC(=O)[C@@H](NC(=O)C1CCC(c2ccc(Cl)cc2)CC1)c1ccccc1 4334846 UPMFETODWKOQBC-IOYBJCICSA-N 399.918 5.034 0 30 GKAC Cc1c(C)c(C)c(CSc2ccccc2NC(=O)/C=C/C(=O)O)c(C)c1C 3983615 AEOQOELNVLBAIN-ZHACJKMWSA-N 383.513 5.100 0 30 GKAC CCOP(=O)(CCCCCCOc1ccc(OC)cc1Cl)OCC 4213380 QDGWHHFJDHIIOS-UHFFFAOYSA-N 378.833 5.554 0 30 GKAC in-man CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCC(=O)O 217393367 BEYWKSIFICEQGH-SFGLVEFQSA-N 385.548 5.665 0 30 GKAC CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 1040322 ZHQLFVNJFZKAEP-UHFFFAOYSA-N 381.785 5.542 0 30 GKAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 1046717 YABJLGZNKJQEDB-UHFFFAOYSA-N 381.545 5.781 0 30 GKAC O=C(Nc1ccc2oc(C(=O)O)cc2c1)OCC1c2ccccc2-c2ccccc21 380904861 YACASPGMOXVQRW-UHFFFAOYSA-N 399.402 5.492 0 30 GKAC COc1ccc(OC(=O)c2cscc2Sc2ccc(Cl)cc2)cc1 1038421 OMJBQWFTGGGCMM-UHFFFAOYSA-N 376.886 5.781 0 30 GKAC COc1ccc(-c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC 4307293 FVVURMPCGUWQAJ-UHFFFAOYSA-N 389.882 6.548 0 30 GKAC O=C1CS[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(C(F)(F)F)cc1 1046058 QGFDDCDNTZPCDN-OAHLLOKOSA-N 391.336 5.503 0 30 GKAC CC(C)(C)c1ccc(OC(=O)NC(=O)c2ccccc2Cl)c(C(C)(C)C)c1 3138208 QISKCUJLEWNKHN-UHFFFAOYSA-N 387.907 5.864 0 30 GKAC Cc1onc(C(=O)Nc2ccc(Cl)cc2)c1-c1csc(-c2ccccc2)n1 1047760 MDNSAHRQCBJZJR-UHFFFAOYSA-N 395.871 5.679 0 30 GKAC CCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O 95794822 NOAOISNWUKHGKB-UHFFFAOYSA-N 395.675 5.983 0 30 GKAC O=C1C(=NNc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 254836345 FPTCDKXYQLWIGU-UHFFFAOYSA-N 382.250 5.488 0 30 GKAC Clc1ccc(N=Nc2cnc(-c3cccnc3)nc2-c2cccs2)cc1 254615815 XTQNTLYPPCYCKU-UHFFFAOYSA-N 377.860 6.336 0 30 GKAC CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299754709 JEEPHKGUAQDHOE-BIFNGEDZSA-N 384.692 8.808 0 30 GKAC FC(F)(F)c1ccc(-c2noc(-c3ccc(-c4cccs4)s3)n2)cc1 1039578 UPJOMASXPYELIJ-UHFFFAOYSA-N 378.400 6.212 0 30 GKAC Cc1cc2c3c(c1)c(OCc1ccc(F)cc1)c(-c1ccccc1)c(=O)n3CCC2 3466854 VLDYTCHQRAJFMN-UHFFFAOYSA-N 399.465 5.641 0 30 GKAC CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 4698161 PBAQIGWJCJOYIM-YBEGLDIGSA-N 377.296 5.096 0 30 GKAC S=C(NC1CCCCC1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 1035522 QCJXVHCVRQZOHK-NQIIRXRSSA-N 395.597 5.279 0 30 GKAC O=[N+]([O-])c1ccc(NN=Cc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1 257352850 NUMAOWIOKLXBNM-UHFFFAOYSA-N 386.367 5.255 0 30 GKAC Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)c1ccc(Cl)cc1 1031689 XDNAMIUZBGJMQZ-UHFFFAOYSA-N 398.249 5.509 0 30 GKAC CSC1=N/C(=C\Nc2cccc(Cl)c2)C(=O)N1Cc1cccc(Cl)c1 4698169 RGVTURJRSDDFET-YBEGLDIGSA-N 392.311 5.008 0 30 GKAC Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1Cl 1037290 IDFFXPGCKMUYEW-UHFFFAOYSA-N 380.662 5.393 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1cc(C2CC2)no1 685939197 GBSZBYMWVDNCMZ-UHFFFAOYSA-N 398.179 5.608 0 30 GKAC COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2c2ccccc2)cc1 4336662 SDCRHFBOMHVVLU-HSZRJFAPSA-N 388.467 5.068 0 30 GKAC COc1ccc2c(c1)CC[C@@H]1C2=Nc2ccccc2S[C@H]1c1ccc(C)cc1 4389089 ZKKGGQFTBQRPPF-BWKNWUBXSA-N 385.532 6.534 0 30 GKAC CCc1c(-c2ccccc2)oc2c(CNCc3ccccc3)c(OC)ccc2c1=O 1996485 IUJITVKYCWGYLJ-UHFFFAOYSA-N 399.490 5.321 0 30 GKAC O=C(Nc1ccc(Cl)cc1)OC1CN(C(c2ccccc2)c2ccccc2)C1 63598829 OIMCFOBBZYJVTC-UHFFFAOYSA-N 392.886 5.362 0 30 GKAC CCOc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1 2147856 ALAHTXQLDIHNAG-UHFFFAOYSA-N 391.323 6.141 0 30 GKAC CCCC1CCC([C@H]2CC[C@H](c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1 299803260 DOTCXRSWJCSMMA-YTMUWMDNSA-N 396.565 8.512 0 30 GKAC C[C@H](CCCC(C)(C)O)CC(OCCc1ccccc1)OCCc1ccccc1 33611144 BZYVVVVWNQNWHX-JOCHJYFZSA-N 398.587 5.799 0 30 GKAC Cc1cc(-c2c(C(=O)Sc3ccccc3)c(C)nn2-c2ccccc2)no1 1031913 SJIZRKUSHCXZNO-UHFFFAOYSA-N 375.453 5.077 0 30 GKAC COc1cccc(-c2cc3nc(C(F)(F)F)cc(-c4cccs4)n3n2)c1 1037316 LMNWNHNUGPXGAJ-UHFFFAOYSA-N 375.375 5.152 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 2265351374 GLATUUHMBGUZCT-BNHYGOGHSA-N 386.664 7.389 0 30 GKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cn2)cc1 1034047 SJEQMFGKEOUWGF-UHFFFAOYSA-N 390.439 5.122 0 30 GKAC O=C(NC1Cc2ccccc2C1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1034118 YQFDYGFPKZBCAK-UHFFFAOYSA-N 388.250 5.276 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1cccc2cccnc12 12369319 BGWOYFIKUZCKOI-UHFFFAOYSA-N 399.233 5.724 0 30 GKAC Cc1ccc(SCc2ccccc2C(=O)Nc2cc(Cl)ccc2O)cc1 1037882 NTPJGGPACIHOJS-UHFFFAOYSA-N 383.900 5.899 0 30 GKAC COc1ccc2c(c1)CC[C@H]1C2=Nc2ccccc2S[C@@H]1c1ccc(C)cc1 4389090 ZKKGGQFTBQRPPF-SQJMNOBHSA-N 385.532 6.534 0 30 GKAC Cc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2C)cc1Cl 1029315 YZUHRYIVLGIXJX-UHFFFAOYSA-N 378.831 5.611 0 30 GKAC O=C(Oc1cccc2cccnc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1046621 IMRRBLMWZQRNOJ-UHFFFAOYSA-N 385.263 5.492 0 30 GKAC O=C(Nc1ccc(N2CCCCC2)cc1)Nc1ccccc1OC(F)(F)F 1034013 GATLRIXRLSVWOA-UHFFFAOYSA-N 379.382 5.220 0 30 GKAC C[C@@H](c1ccccc1)c1cccc([C@@H](C)c2ccccc2)c1OP(=O)(O)O 38652671 PMZOXOKWFQJNEU-IRXDYDNUSA-N 382.396 5.462 0 30 GKAC COc1ccc(Oc2ncccc2NC(=O)c2ccccc2C(F)(F)F)cc1 1043396 OXEQMARFJKUZRH-UHFFFAOYSA-N 388.345 5.154 0 30 GKAC Cc1nc(-c2nnc(SCc3ccccc3)n2-c2cccc(F)c2)cs1 1047543 HCZCUEMWHWOZEH-UHFFFAOYSA-N 382.489 5.131 0 30 GKAC CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[N+](=O)[O-] 2579014 PEDOADQHWFZFKP-UHFFFAOYSA-N 375.424 5.482 0 30 GKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@H]1CCCCO1 604970770 GGBCWHWUPQPXOU-KFEALIJWSA-N 382.673 7.382 0 30 GKAC O=C(NCc1csc(-c2cccs2)n1)Nc1ccc(C(F)(F)F)cc1 1034842 HXEYXPAQMJZBOH-UHFFFAOYSA-N 383.420 5.212 0 30 GKAC COc1ccc2c(c1)C(=O)C[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@H]12 97975452 XTZUNKVZLDGOEJ-MIQXKOARSA-N 384.516 5.103 0 30 GKAC O=C(Sc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 1026457 OQNHLUXSYGVAAA-UHFFFAOYSA-N 382.794 5.477 0 30 GKAC O=C(O)C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 1033262 KNFZVFGMMDEDHN-GOSISDBHSA-N 375.424 5.066 0 30 GKAC FC(F)(F)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)cs3)cc2)nc1 2151822 KNOIABDPGHWQAR-UHFFFAOYSA-N 398.409 6.683 0 30 GKAC CC(C)c1ccc(C(C)C)c(NC(=S)Nc2cc(Cl)ccc2Cl)c1 3137951 BJYIKLQFNRISLV-UHFFFAOYSA-N 381.372 7.049 0 30 GKAC Cc1onc(-c2ccccc2)c1C(=O)NCc1csc2ccc(Cl)cc12 4324952 CTYABBXKHPEAHC-UHFFFAOYSA-N 382.872 5.448 0 30 GKAC CC1(C)CC(C)(C)c2cc(Cc3cc4c(cc3O)C(C)(C)CC4(C)C)c(O)cc21 33986552 COLYSLCNGKYMCR-UHFFFAOYSA-N 392.583 6.606 0 30 GKAC CCCCCCCCCCC[C@H](O)[C@@H](CCCCCCCCCC)C(=O)O 111903056 NRUVALJAGRJLKU-PKTZIBPZSA-N 384.645 7.500 0 30 GKAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1 34034791 AQMOXBCKEKPDRF-YNFNDHOQSA-N 384.560 5.620 0 30 GKAC Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 1034677 KKMIGLMSGDXUEX-UHFFFAOYSA-N 398.466 5.310 0 30 GKAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(Cl)cc(Cl)c1 1047651 LYXLDBKSXRLJCX-UHFFFAOYSA-N 381.206 5.138 0 30 GKAC CCCCC[C@@H]1C(=O)C(=Cc2ccc(Br)cc2)C[C@H]1CC(=O)O 4110275 ITQIFTCSKNMRIM-YOEHRIQHSA-N 379.294 5.093 0 30 GKAC FC(F)(F)c1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)-c1ccccc1C2 4364754 ZEIVDWSVXFPYFY-UHFFFAOYSA-N 385.776 5.640 0 30 GKAC Cc1ccccc1[C@@H](CC(=O)c1ccncc1)c1ccc(Br)cc1 113661455 UFXXYDFRMMZNDI-FQEVSTJZSA-N 380.285 5.557 0 30 GKAC Clc1cc(Cl)c2nc(Oc3cccc(N4CCOCC4)c3)sc2c1 1042634 UXHNBKWBBPDNKT-UHFFFAOYSA-N 381.284 5.232 0 30 GKAC O=C(Nc1ccc(CSc2ccc(Cl)cc2)o1)Nc1ccccc1F 1048628 RESXZYYDIQDMIO-UHFFFAOYSA-N 376.840 6.008 0 30 GKAC CCOC(=O)c1cnc(-c2cccs2)nc1Sc1ccc(Cl)cc1 1035809 MAAIJFNRZFCOEF-UHFFFAOYSA-N 376.890 5.186 0 30 GKAC CCCC[C@H](CC)COC(=O)C1=C(C(=O)OC[C@H](CC)CCCC)CCCC1 5821775 ZVPBHZIVOWGPMT-BGYRXZFFSA-N 394.596 6.376 0 30 GKAC CC(C)(C)c1cc2nc(C(F)(F)F)cc(Sc3ccc(Cl)cc3)n2n1 4362672 YMYISZFCDYXIQG-UHFFFAOYSA-N 385.842 5.850 0 30 GKAC Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(C(=O)O)c1C 1554770721 JXUNJPZRJMQOFM-UHFFFAOYSA-N 387.435 5.363 0 30 GKAC C1C[C@H]2C[C@H]1C[C@H]2COB(OC[C@@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2 256917154 VHFSLBYLDULHFW-WIKDVRPQSA-N 386.385 5.330 0 30 GKAC Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(F)(F)F)cc2)n1 1031702 ARVPRIKGNKJYBL-UHFFFAOYSA-N 386.398 6.459 0 30 GKAC S=C(NNc1c(Cl)cncc1Cl)Nc1ccc(Cl)cc1Cl 1042708 HHPJJAWKIUFNOK-UHFFFAOYSA-N 382.103 5.009 0 30 GKAC CCc1c(-c2ccccc2)oc2c(CN3CCCCC3)c(OC)ccc2c1=O 1996396 BWXLUFMCTONOGQ-UHFFFAOYSA-N 377.484 5.017 0 30 GKAC FC(F)(F)c1cnc(Sc2nccc(C=Cc3ccccc3)n2)c(Cl)c1 2265278785 GJPNNFLXDAVWPV-UHFFFAOYSA-N 393.821 5.865 0 30 GKAC Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C(C)(C)C)nn(C)c1C(C)(C)C 1031164 SIDBQMBXCLFYIS-UHFFFAOYSA-N 394.519 5.231 0 30 GKAC CCc1ccc(C(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1032506 JZIHGTHPAJCSQX-UHFFFAOYSA-N 377.871 5.410 0 30 GKAC O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@@H]2c1ccc(Cl)cc1 13465783 OAQHVOFDSXZHLQ-PTUXOGIPSA-N 388.854 5.645 0 30 GKAC CC1=C(C)[C@H](C)C(C(C2=C(C)C(C)=C(C)[C@@H]2C)C2=C(C)C(C)=C(C)[C@@H]2C)=C1C 263583821 BGIKSKHWJSRIJQ-RRPUWOKSSA-N 376.628 8.510 0 30 GKAC CCn1c(C=Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 2265279322 SVTLJJZNWNBVEF-UHFFFAOYSA-N 390.339 6.068 0 30 GKAC O=C(Nc1ccc(F)cc1)c1ccccc1NC(=S)Nc1ccccc1Cl 1026788 UGHYTRRLMAMATP-UHFFFAOYSA-N 399.878 5.540 0 30 GKAC O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)c2cccnc12 1042898 JZLDMSZQULFHAJ-UHFFFAOYSA-N 376.641 5.295 0 30 GKAC CCCc1ccc(C(=O)Nc2cccnc2Oc2ccc(C(C)(C)C)cc2)cc1 4336316 RGHDCWBCVCOSLD-UHFFFAOYSA-N 388.511 6.376 0 30 GKAC Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1047270 JVEWGRLNBAYUSN-UHFFFAOYSA-N 399.947 5.408 0 30 GKAC CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 3871916 RWYREGSYPCNZTL-UHFFFAOYSA-N 386.491 6.118 0 30 GKAC in-vivo CC(=NOCCOc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 4091568 PTXMICIGMHQXQP-RTBURBONSA-N 381.369 5.420 0 30 GKAC CC[C@@H](C)Sc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 4382965 ZKELJPLXGDMTQY-CYBMUJFWSA-N 382.451 5.860 0 30 GKAC O=C(O)[C@@H](c1ccccc1-c1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1 6116784 WZCPXDVHGSRSLT-VQTJNVASSA-N 386.369 5.274 0 30 GKAC O=C(Oc1ccc(-c2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 2145744 KDPGPXYYANQIGB-UHFFFAOYSA-N 378.427 6.197 0 30 GKAC Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C 1028593 PEBFEWQJNVPTHE-UHFFFAOYSA-N 393.331 5.109 0 30 GKAC O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 1039532 CKHDMLLPMIMYGC-QGZVFWFLSA-N 378.781 5.123 0 30 GKAC O=c1c(Cc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)oc2ccccc12 3138113 UVPMAJPGYRIVGT-UHFFFAOYSA-N 381.258 6.358 0 30 GKAC Fc1cc2c(cc1F)Oc1cc(Br)c(Br)cc1O2 2005697 OYZFZUIMCOBMIR-UHFFFAOYSA-N 377.966 5.388 0 30 GKAC CCCCC/C=C\C/C=C\CCCCCCC(CO)(CO)C(=O)OCCCC 223586072 BMVBKVAPWRBSPR-UTJQPWESSA-N 396.612 5.724 0 30 GKAC CC(C)CCCCCOC(=O)c1ccc(C(=O)OCCOc2ccccc2)cc1 142109369 OCSJGBJBLWZYQQ-UHFFFAOYSA-N 398.499 5.296 0 30 GKAC COc1ccc(-c2ccnc(SCc3ccc(Cl)cc3Cl)n2)cc1 1040327 FPAFKXQIZNQDNO-UHFFFAOYSA-N 377.296 5.751 0 30 GKAC COc1cc(OCc2ccccc2)ccc1-c1ccc(N2[C@@H](C)CC[C@@H]2C)cn1 2579313 RKEVHWZKTBTHNY-OALUTQOASA-N 388.511 5.713 0 30 GKAC FC(F)(F)c1cc(N2CCCCCCC2)c2c(Cl)cc(Cl)cc2n1 4365034 KRILBAPTVOVBAM-UHFFFAOYSA-N 377.237 6.331 0 30 GKAC CC(C)(C)c1ccc(C(=O)Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 1044440 AOZGYPWOZZNAOX-UHFFFAOYSA-N 389.373 5.362 0 30 GKAC CCC[C@H]1c2ccsc2CCN1C(=S)Nc1ccc(Cl)cc1Cl 1035062 BSMAWEBBKYGSCB-HNNXBMFYSA-N 385.385 6.151 0 30 GKAC O=C(Nc1ccccc1)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 2144478 BWOJNOWTRJUYCA-UHFFFAOYSA-N 377.387 6.183 0 30 GKAC CCCC[C@@]1(Cc2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O 3958094 CKSUCEHRJPQBAD-AREMUKBSSA-N 381.475 6.050 0 30 GKAC CC1(C)CC[C@](C)(N=[N+]=[N-])c2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc21 31394183 LRNDTPKGMUKSNO-DEOSSOPVSA-N 385.467 6.802 0 30 GKAC O=C(CSCc1cccc(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 1037901 SOFRFSFITYCWKS-UHFFFAOYSA-N 394.245 5.884 0 30 GKAC Cc1ccc(C=NNC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 254790541 MNTZPYCQCRZDEW-UHFFFAOYSA-N 396.849 5.130 0 30 GKAC CCC(CC)C(=O)OC[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2[C@H]1COC(=O)C(CC)CC 585139024 XQEFKLYZHZAQJH-KNPYFFGGSA-N 392.580 5.244 0 30 GKAC COc1cc2c(cc1OC)[C@H](CCc1c(Cl)cccc1Cl)N(C)CC2 1999655 LXGKFCALTYIGBW-SFHVURJKSA-N 380.315 5.172 0 30 GKAC CC1(C)CC[C@@](C)(N=[N+]=[N-])c2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc21 31394178 LRNDTPKGMUKSNO-XMMPIXPASA-N 385.467 6.802 0 30 GKAC O=C(Nc1ccccc1)O[C@H]1C(=Cc2c(F)cccc2Cl)N2CCC1CC2 2265276334 WDBVTUQTZYATPT-HXUWFJFHSA-N 386.854 5.163 0 30 GKAC CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)O[C@H]3CC[C@H](CCC)CC3)CC2)CC1 263584291 OXTIAPDLMJSXLF-NYUFXJCHSA-N 390.652 7.692 0 30 GKAC CCOC(=O)c1sc(-c2sccc2COc2ccc(Cl)cc2)nc1C 1039419 WXEIOYDWPXWTHQ-UHFFFAOYSA-N 393.917 5.589 0 30 GKAC CCCC[Sn](CCCC)(CCCC)C[C@@H]1CC1(F)F 1536222109 ZVMGYNCGEFGYHA-ATESMDQDSA-N 381.139 6.491 0 30 GKAC O=C(c1cccs1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1 1037018 SDTMFEBMQJIFEJ-UHFFFAOYSA-N 390.277 5.497 0 30 GKAC CC(C)Sc1c(Cl)cccc1NC(=O)Nc1cccc(C(F)(F)F)c1 1040185 RLLQEFFNUAWZJB-UHFFFAOYSA-N 388.842 6.503 0 30 GKAC CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 3803415 OOAHNJDZICJECC-BHWPLRMJSA-N 378.553 5.162 0 30 GKAC in-man CC1=C(/C=C/C(C)=C\C=C\C(C)=C/COC(=O)C2CCCC2)C(C)(C)CCC1 256429357 MPACCMIQWWLTLS-FRJZJDGBSA-N 382.588 7.251 0 30 GKAC O=C(Nc1ccc(Oc2cncc(Cl)c2)nc1)Nc1cccc(Cl)c1 1031412 YOVILVYLMDKJNI-UHFFFAOYSA-N 375.215 5.220 0 30 GKAC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(Cc1ccccc1)C(C)C 1033555 KBNFUWNPRJZINK-UHFFFAOYSA-N 386.854 5.493 0 30 GKAC CN(C)c1ccc(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@H]23)cc1 248077242 ULYOBMCBSNBRSQ-GWZVJQKXSA-N 389.539 5.970 0 30 GKAC C[C@H](Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1)C(=O)O 1842648 WGDADRBTCPGSDG-JTQLQIEISA-N 394.279 5.881 0 30 GKAC in-man COc1ccc(C(=O)C[C@H](Sc2ccccc2)c2ccc(C(C)C)cc2)cc1 3119105 CAALFDGIYOXDLM-VWLOTQADSA-N 390.548 6.925 0 30 GKAC CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Nc1ccc(Cl)cc1 1028200 NVVUZLNPMYOMQV-UHFFFAOYSA-N 390.848 5.482 0 30 GKAC Cc1c(C(=O)C[C@H]2OC(=O)C(Cl)=C2Cl)sc2ccc(Cl)cc12 1040613 XJRRDNHHMZRTEW-SNVBAGLBSA-N 375.660 5.051 0 30 GKAC CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOC)OC(C)=O 16891597 BJJRVZBBFAXWGR-QOYCNBSOSA-N 398.584 5.755 0 30 GKAC O=c1c2ccccc2nc(C=Cc2cccc(C(F)(F)F)c2)n1-c1ccccc1 2265279074 PKQSKVJVZJICLK-UHFFFAOYSA-N 392.380 5.575 0 30 GKAC O=C(N/C=C/c1ccsc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1026289 JVYDCQNMMULBIL-HNQUOIGGSA-N 380.313 5.578 0 30 GKAC Fc1ccc(Oc2cc(C(F)(F)F)nc3c(Br)cccc23)cc1 1039261 IUFJIJZWTYNQSR-UHFFFAOYSA-N 386.142 5.948 0 30 GKAC CC(=NOC(=O)NC1CCCCC1)c1sc(-c2ccc(Cl)cc2)nc1C 254852074 GPHBYUBETMMGPJ-UHFFFAOYSA-N 391.924 5.555 0 30 GKAC O=C(c1ccc(Cl)cc1Cl)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1 39139710 PIHBLZDBWAYBPW-QGZVFWFLSA-N 381.646 5.304 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351822 UIMGHSAOLFTOBF-LRIVNMGRSA-N 386.664 7.389 0 30 GKAC CCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 1035471 AFKQNIFOUFOXHG-UHFFFAOYSA-N 382.803 5.167 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13548558 FLRPNSKUGCVRRB-IINKENNYSA-N 384.648 7.597 0 30 GKAC in-vitro COc1ccc2c(c1)C(=O)C[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@H]12 575346870 XTZUNKVZLDGOEJ-SEJJMQTBSA-N 384.516 5.103 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351818 UIMGHSAOLFTOBF-HIJRIBTCSA-N 386.664 7.389 0 30 GKAC CCNc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CC[C@H](C)C3 4334747 RALRDTOYLSPPPU-ZDUSSCGKSA-N 397.569 5.223 0 30 GKAC CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5761332 OILXMJHPFNGGTO-SDMVIZLASA-N 398.675 7.411 0 30 GKAC endogenous,in-man COc1ccc2[nH]c3c(C)c(CCN(Cc4ccccc4)C(C)=O)ccc3c2c1 33610982 IIJIFXSCYADHHB-UHFFFAOYSA-N 386.495 5.229 0 30 GKAC CCOC(=O)c1sc2nc(-c3ccc(Oc4ccccc4)cc3)cn2c1C 40437638 MBLXLYHMIXIHRX-UHFFFAOYSA-N 378.453 5.340 0 30 GKAC COc1ccc(C(=O)ON=Cc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 254828196 GQGKASLRILDLQI-UHFFFAOYSA-N 398.871 5.086 0 30 GKAC CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 1027882 PBCVQQRYHLNTOD-UHFFFAOYSA-N 391.901 5.072 0 30 GKAC CCCCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O 100130104 VKMHRASEXLDXMS-ZHRRBRCNSA-N 389.555 5.999 0 30 GKAC Cc1ccc(-c2nc3sccn3c2C=NOCc2ccc(Cl)cc2)cc1 254738051 FCUZYSQXHKHJHE-UHFFFAOYSA-N 381.888 5.575 0 30 GKAC CCCc1ccc(N2C(=O)C[C@@H](Sc3ccc4ccccc4c3)C2=O)cc1 1046039 SOVSAKRHQCZIRW-OAQYLSRUSA-N 375.493 5.217 0 30 GKAC FC(F)(F)c1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2ccco2)o1 1043834 OBWQUYSAROLHHX-UHFFFAOYSA-N 380.709 5.929 0 30 GKAC O=C(OCCCCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 4336228 UGBWNVRGAKEVSH-UHFFFAOYSA-N 387.690 6.053 0 30 GKAC CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Nc1ccccc1 96507475 WUCLNPBYIJUVCW-UHFFFAOYSA-N 384.432 5.375 0 30 GKAC O=C(C(CN1CCCCC1)=NNc1ccc(Cl)cc1Cl)c1ccccc1 254375939 LFCVVBPCFPBODW-UHFFFAOYSA-N 390.314 5.130 0 30 GKAC Cc1c(C(=O)C[C@@H]2OC(=O)C(Cl)=C2Cl)sc2ccc(Cl)cc12 1040612 XJRRDNHHMZRTEW-JTQLQIEISA-N 375.660 5.051 0 30 GKAC O=C(/C(=C\c1ccccc1Cl)n1ccnc1)c1ccc(Cl)cc1Cl 39139741 XMFUVIQLSXWEQN-RQZCQDPDSA-N 377.658 5.724 0 30 GKAC O=C(Nc1cccc2ccccc12)[C@H]1CC[C@@H]1C(=O)Nc1cccc2ccccc12 1998540 GQMNVHUHWNUGCO-VXKWHMMOSA-N 394.474 5.596 0 30 GKAC CC(=NOCCOc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 4091566 PTXMICIGMHQXQP-RBUKOAKNSA-N 381.369 5.420 0 30 GKAC C[C@H]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccccc3)cc1OC2(C)C 101192455 AEYFHRDJFXMZKJ-OALUTQOASA-N 390.567 7.263 0 30 GKAC Cc1ccsc1-c1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1 1025525 MXVXCFUGORYNGT-UHFFFAOYSA-N 385.529 5.155 0 30 GKAC O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccc2nccnc2c1 1034357 QEKSRXAKMPUGMC-UHFFFAOYSA-N 389.842 5.006 0 30 GKAC Cc1onc(-c2ccccc2)c1NC(=O)NCc1csc(-c2cccs2)n1 1033326 OQYXQPDXBNHRBN-UHFFFAOYSA-N 396.497 5.157 0 30 GKAC C[Si](C)(C)c1cccc(-c2ccc(-c3cccc([Si](C)(C)C)c3)nc2)c1 204142011 DSZSMZDLMZDDJK-UHFFFAOYSA-N 375.664 5.506 0 30 GKAC CCNc1ccccc1C(=O)Nc1ccc(OC(C)(C)N(CC)C(C)C)cc1 223732036 ZENLYFGDLRPYMT-UHFFFAOYSA-N 383.536 5.216 0 30 GKAC O=C(Nc1ccc(Cl)cc1SCc1ccccc1)c1ccccc1Cl 2144686 QSUSDAFTFFGHST-UHFFFAOYSA-N 388.319 6.538 0 30 GKAC O=C1CC(c2ccccc2)CC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 4371530 PKSDBRXVIRBHDO-UHFFFAOYSA-N 391.854 5.570 0 30 GKAC CC(C)CCC/C=C/CCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 95918839 URFYPQQKBYOWIX-UDNGMWKQSA-N 383.532 5.654 0 30 GKAC biogenic,in-vitro C[C@H](CCOC(=O)CCCCC(=O)OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C 5751296 ISQGOXKDLGVOKQ-WOJBJXKFSA-N 398.628 6.558 0 30 GKAC CCCCCCOC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC 33953628 KITUJVIGXXGBLV-AONZOJHOSA-N 382.629 7.118 0 30 GKAC CCCCC[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 686791193 QVCLBNCSMJHLQS-XMMPIXPASA-N 395.499 5.339 0 30 GKAC Cc1c(-c2ccccc2)ccc(CCCCC(=O)O)c1NC(=O)OC(C)(C)C 2265362119 LZSPSRDTQPMBIN-UHFFFAOYSA-N 383.488 5.806 0 30 GKAC COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC1CCCC1 1040090 VHWWQXNJJCTUKV-UHFFFAOYSA-N 394.393 5.679 0 30 GKAC CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O 5359483 AYNFEPVYJBGXLS-ODMVIQNVSA-N 396.615 6.408 0 30 GKAC COc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)c1ccccc1 14587349 PGHJXDHRONHDNF-GHRIWEEISA-N 380.484 5.573 0 30 GKAC FC(F)(F)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(C(F)(F)F)c1 3126619 WQQPSYXNYPPOIA-UHFFFAOYSA-N 392.686 6.095 0 30 GKAC O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccc1O 3138503 WDECDKPELAIHOF-UHFFFAOYSA-N 389.329 5.335 0 30 GKAC O=C(Nc1ccc(F)cc1)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 6161403 FWLBJRXZXWSRSG-UHFFFAOYSA-N 380.467 5.111 0 30 GKAC CCN(CC)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C 32289443 XXTNVYZXBLXIDA-UHFFFAOYSA-N 392.546 7.237 0 30 GKAC C[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21 6031410 VUKZWUYSEFVTRB-LADXHSAASA-N 390.608 5.753 0 30 GKAC CN1CCC(O[C@H]2Oc3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 223697547 GPISSLVMBPUFLV-IBGZPJMESA-N 395.446 5.358 0 30 GKAC CN1CCN(c2ccc3c(c2)SCc2ccccc2[C@@H]3c2ccccc2)CC1 4115695 BVXCCSFQDANQEN-VWLOTQADSA-N 386.564 5.224 0 30 GKAC c1ccc(N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc3c(c2)OCO3)cc1 4301215 IXKZYCTZTHFKKO-DEOSSOPVSA-N 392.458 5.924 0 30 GKAC COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 1034331 IRJBYMFVFODZTL-UHFFFAOYSA-N 386.476 5.793 0 30 GKAC in-vitro O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1CC1CC1 1044787 ASRBLXLSLDYBJP-UHFFFAOYSA-N 391.323 5.406 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3ccccc3)n1)C(C)(C)CCC2(C)C 4390515 GTRSYJOCSRUQFT-UHFFFAOYSA-N 375.581 7.389 0 30 GKAC CCCCCC[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5512519 NBWODOKZOKFQJY-RYUDHWBXSA-N 381.727 6.316 0 30 GKAC CCOc1ccc([C@H](C)CCC[C@H]2CC[C@H](C3CCCCC3)CC2)c(F)c1F 1565503782 YXUJALQIVZKVND-SFHLNBCPSA-N 392.574 8.024 0 30 GKAC O=C(O)C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 1033261 KNFZVFGMMDEDHN-SFHVURJKSA-N 375.424 5.066 0 30 GKAC Fc1cccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1 1047009 LTFICEXHVYPJQW-UHFFFAOYSA-N 389.542 6.007 0 30 GKAC COC(=O)c1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc(F)cc1 1041395 PAWPLFBQUFBSFG-JOCHJYFZSA-N 394.467 5.719 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265347483 GGCLNOIGPMGLDB-RBCGVSHUSA-N 384.648 7.597 0 30 GKAC Cc1noc(C)c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl 1046460 HTECTSMDYUGFFI-UHFFFAOYSA-N 377.227 5.643 0 30 GKAC CC1=C(C)C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@H](C(=O)O)C1 4381325 GROFMWXXTZGLAX-WOJBJXKFSA-N 399.874 5.518 0 30 GKAC CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C 116299045 QZZAYFIOGQHXIK-QHCPKHFHSA-N 383.661 7.165 0 30 GKAC COc1cc(OC)c2nc(C)c3c(c2c1)N(c1cccc(C(F)(F)F)c1)CC3 642434 GNKJAMDQSUTPBH-UHFFFAOYSA-N 388.389 5.273 0 30 GKAC O=Cc1cccc(F)c1Oc1ccc(Cl)c2c1C1(CCCCC1)OC(=O)N2 2265385380 PVCISLNVXTYEBG-UHFFFAOYSA-N 389.810 5.805 0 30 GKAC O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1c(Cl)cccc1Cl 1039753 LGLQXFOJZBFWKA-UHFFFAOYSA-N 392.229 5.651 0 30 GKAC F/C(Cl)=C(\F)[C@](F)(Cl)[C@](F)(Cl)[C@@](F)(Cl)C(F)(Cl)Cl 137724461 YZAZVKATWCVLMC-SAJCNRBWSA-N 398.772 6.148 0 30 GKAC CC(=O)c1ccccc1OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 1048760 VLAVMEHPOILKBN-UHFFFAOYSA-N 390.222 5.379 0 30 GKAC C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(Cl)cc1Cl 3131789 XHIHEXGBFUFHSJ-MRVPVSSYSA-N 380.054 5.673 0 30 GKAC Fc1cccc(CON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 254843971 DWQMQFLGZFVXNS-UHFFFAOYSA-N 379.822 5.345 0 30 GKAC C[C@]12OC(=O)N(c3ccccc3)[C@]1(C)ON(c1ccccc1)[C@@H]2c1ccccc1 32234204 BMMZOWMHEFVJGH-GMKZXUHWSA-N 386.451 5.311 0 30 GKAC Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1O 38268120 NPCWDUPHMLFWMT-UHFFFAOYSA-N 395.471 6.444 0 30 GKAC CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)ccc1CCCC(=O)O 2265362068 ALJNRYMFKBOSGN-UHFFFAOYSA-N 385.460 5.020 0 30 GKAC O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(F)cc1 4335047 HFXMXVKBGKENEC-GMAHTHKFSA-N 388.417 5.129 0 30 GKAC CCCCCCCC/C=C\CCCCCCCCOC(=O)C[C@@H](O)C(=O)O 143964195 FRDGWAZYZCCRPJ-GDCKJWNLSA-N 384.557 5.403 0 30 GKAC Clc1cccc(Cn2c(C=Cc3ccccc3Cl)nc3ccccc32)c1 2265278910 WPMGQTLJRDIWLS-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)n1ccc(-c2cccs2)n1 1034356 LLPOYMAWLAAPFH-UHFFFAOYSA-N 387.823 5.056 0 30 GKAC CSc1nn(-c2ccccc2)cc1-c1nc(-c2ccc(Cl)cc2)cs1 3127646 MDOSLQZKYYLSKW-UHFFFAOYSA-N 383.929 6.038 0 30 GKAC O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C2CC2)nn1-c1ccccc1 1040140 CGZWKNMTVFWTBM-UHFFFAOYSA-N 386.377 5.413 0 30 GKAC CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1 4866197 HVCNNTAUBZIYCG-NSHDSACASA-N 377.849 5.072 0 30 GKAC O=C(CSc1ssc(=S)c1-c1ccccc1)c1ccc(F)c(F)c1 2152656 FXDYLNDSBYKQJV-UHFFFAOYSA-N 396.530 6.459 0 30 GKAC COc1ccc(NC(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2)cn1 1034121 URRPTUPUAXQNNK-UHFFFAOYSA-N 379.199 5.035 0 30 GKAC COC(=O)c1scc2c(Oc3ccc(Cl)cc3)cc(C(F)(F)F)nc12 1039357 NMFCORPLJDRDRR-UHFFFAOYSA-N 387.766 5.547 0 30 GKAC FC(F)(F)c1cc(-c2ccc3c(c2)CCC3)nc2cc(-c3cccs3)nn12 1040255 UWXOXTJIYHTLOC-UHFFFAOYSA-N 385.414 5.632 0 30 GKAC CCOC(=O)c1c(N)sc2c1C[C@H](c1ccccc1)S[C@H]2c1ccccc1 3640340 OXRBANIADQQLEL-MJGOQNOKSA-N 395.549 5.627 0 30 GKAC Clc1cc(Cl)c(Oc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 1672129 UPFQVVDUHJVSON-UHFFFAOYSA-N 376.881 7.399 0 30 GKAC CCCCCCCCCCCCCCCCCCOC(=O)[C@H](N)CC(C)C 116299047 QZZAYFIOGQHXIK-HSZRJFAPSA-N 383.661 7.165 0 30 GKAC O=C(CSc1ssc(=S)c1-c1ccccc1)c1ccc(Cl)cc1 2152654 FLGGONCJNOBWOI-UHFFFAOYSA-N 394.995 6.834 0 30 GKAC CC1=C(C)[C@H](CC[C@H](C)C(=O)O)[C@](C)(COc2ccc3ccc(=O)oc3c2)CC1 299754674 GFUKNFFFEGYQPX-YFBXQHAESA-N 398.499 5.425 0 30 GKAC Clc1ccc(-c2nnc(CSc3nnc(SCC4CC4)s3)o2)cc1 1047644 PJEUJQIJTUVCRX-UHFFFAOYSA-N 396.950 5.036 0 30 GKAC Cc1onc(-c2ccccc2)c1NC(=O)Nc1ccccc1Oc1ccccc1 4332813 RXFCCSHOKZOXFL-UHFFFAOYSA-N 385.423 6.086 0 30 GKAC CCCCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@@H]1c1ccc(F)cc1O 223561358 VKMHRASEXLDXMS-OPAMFIHVSA-N 389.555 5.999 0 30 GKAC CC1(C)CC=C(c2ccccc2)c2cc(C=Cc3ccc(C(=O)O)cc3)ccc21 2265339971 VUODRPPTYLBGFM-UHFFFAOYSA-N 380.487 6.668 0 30 GKAC Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)sc2C)cc1Cl 1034142 XWMJVNYPISYNBT-UHFFFAOYSA-N 375.856 5.863 0 30 GKAC CC(C)(C)C(=O)CSc1nc(SCC(=O)C(C)(C)C)c2ccccc2n1 1041365 QFIMSUAJLGNNJF-UHFFFAOYSA-N 390.574 5.044 0 30 GKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 4343855 SKSUFAVLACTAOV-VGOFRKELSA-N 377.896 6.316 0 30 GKAC CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(C(=O)C(F)(F)F)cc2)cc1 4390620 ONQFQJCCKLJNHX-AWNIVKPZSA-N 375.390 5.381 0 30 GKAC CCN(C(=O)c1cnc(NC(C)C)cc1C(F)(F)F)c1ccc(Cl)cc1 20458662 FSMWWOWLPLWAIA-UHFFFAOYSA-N 385.817 5.241 0 30 GKAC O=C(NCCSc1ccc(Cl)cc1)c1cccnc1Oc1ccccc1 2141700 XFCIUVUEGGOFKE-UHFFFAOYSA-N 384.888 5.049 0 30 GKAC Cc1cccc(Cl)c1NC(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 1033934 JCPLDHIMDANGHM-UHFFFAOYSA-N 395.846 5.250 0 30 GKAC CCOC(=O)Cn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1 1036601 VGYDPSLSLOQOHL-UHFFFAOYSA-N 388.492 5.509 0 30 GKAC CC(C)(c1ccccc1)n1ccc2c(c1=O)c1ccccc1n2CCCCCF 2265385224 SMRRORRDOWXERZ-UHFFFAOYSA-N 390.502 5.879 0 30 GKAC CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc(C=O)c(C=O)c1O 33985206 UDBSZUYIWDXRKO-XURGJTJWSA-N 386.488 5.521 0 30 GKAC CCCCCc1ccc2c(c1)Cc1cc(OC(=O)c3ccc(CCC)cc3)ccc1-2 2159182 ZATJBTPLLQPSRD-UHFFFAOYSA-N 398.546 7.162 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1ccc(F)o1 203870508 SGCNEORZVCLMRH-UHFFFAOYSA-N 375.116 5.475 0 30 GKAC CCCC[C@H](CC)COC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5515087 XSTLHFQIGNKYFG-NEPJUHHUSA-N 381.727 6.174 0 30 GKAC CC(C)(C)c1cc(-c2csc(-c3ccc(Cl)cc3)n2)cc(C(C)(C)C)c1O 4390719 TVZAKLQPQXJCAD-UHFFFAOYSA-N 399.987 7.431 0 30 GKAC CCNc1ccc(C(c2ccc(NCC)c(C)c2)c2ccccc2Cl)cc1C 5139765 PQXNGDLMOOLIHP-UHFFFAOYSA-N 392.974 7.001 0 30 GKAC O=C(ON=Cc1cc2ccccc2nc1SCc1ccc(Cl)cc1)C1CC1 254578435 FJVQTBWTVDMQAV-UHFFFAOYSA-N 396.899 5.468 0 30 GKAC O=C(/C=C/c1ccc(-c2cccs2)s1)Nc1cccc(C(F)(F)F)c1 1039586 WKNYRPLTKLUCBH-VQHVLOKHSA-N 379.428 6.147 0 30 GKAC CC(C)(C)OC(=O)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1039836 KXMQHJDGJZDYDX-UHFFFAOYSA-N 396.365 5.185 0 30 GKAC Cc1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1Br 1041497 XTEIBIQYQJEFQM-UHFFFAOYSA-N 398.325 5.837 0 30 GKAC Cc1ccc(NC(=O)N(C2=NCC(C)(C)S2)c2ccc(F)c(Cl)c2)cc1 1042051 KWMLOSOJRDQFFC-UHFFFAOYSA-N 391.899 5.707 0 30 GKAC Cc1ccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)cc1 2143795 MFHDEQCWZMUWPL-UHFFFAOYSA-N 386.398 6.459 0 30 GKAC Cc1cc(C)c(CSc2ccccc2N)c(C)c1CSc1ccccc1N 4299636 WBRPNYBFISDTSC-UHFFFAOYSA-N 394.609 6.361 0 30 GKAC Cc1cc(C)c(O)c([C@@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@H]2c2cc(C)cc(C)c2O)c1 267324678 AJYZDMPJXLEGMQ-LDYZSMODSA-N 376.540 6.265 0 30 GKAC O=S(=O)(O)c1cc(Cl)c(/N=N/c2c(O)ccc3ccccc23)cc1Cl 38171765 LLZSBBRHOJMMMN-FMQUCBEESA-N 397.239 5.514 0 30 GKAC Cc1cc(C(=O)CN(CC(=O)c2cc(C)sc2C)c2ccccc2)c(C)s1 217088511 QTJSSBJXXNPXLH-UHFFFAOYSA-N 397.565 5.615 0 30 GKAC c1ccc(-c2ccc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nc2)cc1 2561377 AJVPAXRHHPAFSY-UHFFFAOYSA-N 386.458 5.935 0 30 GKAC CCCCOC(=O)c1ccc(Br)cc1Oc1c[nH]c2nccc-2c1 584598515 RPHPGDUGUJEESK-UHFFFAOYSA-N 389.249 5.026 0 30 GKAC Cc1ccc(NC(=O)Nc2c(C)noc2-c2ccc(C(F)(F)F)cc2)cc1 1047521 HTNHKIJFWLGGGG-UHFFFAOYSA-N 375.350 5.621 0 30 GKAC Fc1ccc(CON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 254874171 KKXABNCDEHCDML-UHFFFAOYSA-N 379.822 5.345 0 30 GKAC c1ccc(CP([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 2265340011 ANIAFEJRWQDKDV-ANIFQACUSA-N 392.567 7.606 0 30 GKAC COc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(O)c1 1043901 HGFKSMIVKKLVMF-JOCHJYFZSA-N 377.465 5.464 0 30 GKAC CSc1sc(C(=O)Sc2ccc(C(F)(F)F)cc2)c2c1C=CCC2 2157936 XCIJEKLERRDJCQ-UHFFFAOYSA-N 386.485 6.381 0 30 GKAC Cc1nc(-c2ccccc2)sc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 1034542 HWEHBCJOJQMESC-UHFFFAOYSA-N 387.386 5.854 0 30 GKAC Cc1c(C)c(C)c2[nH]c(SCc3nc(-c4ccc(Cl)cc4)no3)nc2c1C 1048576 WTGSUGIXKGPMHA-UHFFFAOYSA-N 398.919 5.792 0 30 GKAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccc2ccccc12 4300869 HDMWSXJZXAEOQY-SSEPRJSISA-N 399.578 6.943 0 30 GKAC CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 118937903 YGPZWPHDULZYFR-PAMFVNDTSA-N 385.680 7.355 0 30 GKAC COC(=O)c1ccccc1S[C@@H](CC(=O)c1cccnc1)c1ccc(F)cc1 1041396 WWAKXDRPSGQFQP-NRFANRHFSA-N 395.455 5.114 0 30 GKAC O=Cc1c(-c2ccc(Cl)cc2)nc2sc3cc(C(F)(F)F)ccc3n12 223726334 CIRGUMVGZJBPTG-UHFFFAOYSA-N 380.778 5.701 0 30 GKAC COc1cccc(C(=O)Nc2ccc(C=Cc3nc4ccccc4s3)cc2)c1 2265279088 VVGYASKNUAQPKO-UHFFFAOYSA-N 386.476 5.728 0 30 GKAC CC(C)c1ccc(NC(=O)c2csc(-c3cccc(Cl)c3Cl)n2)cc1 1047499 FXQDNCZYZQEJRA-UHFFFAOYSA-N 391.323 6.493 0 30 GKAC COc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl 1037247 FVQAWWXFBXHMLF-UHFFFAOYSA-N 391.707 5.473 0 30 GKAC O=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 1038734 VHYRYYPEJKNRDC-UHFFFAOYSA-N 378.375 5.238 0 30 GKAC COc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC 984741 QLKKMVXLSTXYGX-QHCPKHFHSA-N 391.492 5.767 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 34185849 HOSZMOQCLZCHTD-MOXRGVOBSA-N 396.615 6.360 0 30 GKAC Cc1ccc(C)c([C@H](c2ccc(Br)cc2)c2cc(C)sc2C)c1 44137786 FQMHNVDDPUYECI-NRFANRHFSA-N 385.370 6.924 0 30 GKAC Cc1cc(C)c(O)c([C@@H]2[C@H](c3cc(C)cc(C)c3O)C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 267324693 AJYZDMPJXLEGMQ-XQRQHDCOSA-N 376.540 6.265 0 30 GKAC CC[C@H](C)Sc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 4382967 ZKELJPLXGDMTQY-ZDUSSCGKSA-N 382.451 5.860 0 30 GKAC CCC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O)c(C(C)(C)CC)c1 5818960 CJWHTIHYKSLYDE-UHFFFAOYSA-N 399.487 6.461 0 30 GKAC C(/C=C/C=C/N1CCC(c2ccccc2)CC1)=[N+]1CCC(c2ccccc2)CC1 90628403 KHAVSEINBAARJV-UHFFFAOYSA-N 385.575 5.597 0 30 GKAC COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1 1046290 LSCIMGDUDACNGG-CYBMUJFWSA-N 389.373 5.489 0 30 GKAC Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2C)c(C)c1 135895154 LHDWQHHGFDELQM-UHFFFAOYSA-N 382.396 6.565 0 30 GKAC Cc1ccc(C)c2c(OCC(=O)N(c3ccccc3)C3CCCCC3)ccnc12 1028982 XOVOCFMIXGNGLE-UHFFFAOYSA-N 388.511 5.596 0 30 GKAC CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NCCCN(C)C 33953282 DWIUBTKCNCCGOO-QOYCNBSOSA-N 382.633 5.063 0 30 GKAC Clc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCCCCCCC3 3185699 KWRMZTRLVUEHCA-UHFFFAOYSA-N 377.959 7.775 0 30 GKAC CC(C)(C)c1ccc(-c2cc3ncnc(Nc4cccc(Cl)c4)c3s2)cc1 4324167 CUFCVXNQEPMCNB-UHFFFAOYSA-N 393.943 7.053 0 30 GKAC Cc1cc(C)c(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)c(C)c1 2142114 MHDUNXXDPIBNLK-UHFFFAOYSA-N 375.497 6.442 0 30 GKAC CCOC(=O)[C@H](NC(=O)C1CCC(c2ccc(Cl)cc2)CC1)c1ccccc1 4334845 UPMFETODWKOQBC-VFIGECHUSA-N 399.918 5.034 0 30 GKAC O=C(O)[C@@H](c1ccccc1-c1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 6116785 WZCPXDVHGSRSLT-PMACEKPBSA-N 386.369 5.274 0 30 GKAC CC(C)c1ccc(C=Cc2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 2265276474 GLTMLJSVEVVCHG-UHFFFAOYSA-N 398.428 5.604 0 30 GKAC O=C(Nc1ccccc1)OCc1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1046766 CMPUHCXAUAQGFC-UHFFFAOYSA-N 395.764 6.368 0 30 GKAC Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1cccc(C(F)(F)F)c1 1048103 YJYPZMOPEIEPFQ-UHFFFAOYSA-N 395.768 5.966 0 30 GKAC Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl 2568331 SSTJUBQGYXNFFP-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC biogenic O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(F)cc1 4335046 HFXMXVKBGKENEC-JTHBVZDNSA-N 388.417 5.129 0 30 GKAC O=C(C[C@@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1ccc(F)cc1 4371396 VNNKXHKPVNCETH-OAQYLSRUSA-N 398.430 5.769 0 30 GKAC CC(C)(C)c1cs/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 13463957 UZMYCPUPUXYVFQ-PYCFMQQDSA-N 377.340 6.376 0 30 GKAC Cc1ccc(NC(=O)Cn2c(C=Cc3ccccc3)nc3ccccc32)cc1C 2265278814 TWJADTBBWGZIDY-UHFFFAOYSA-N 381.479 5.462 0 30 GKAC CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 3119441 YCRZBQWORITWBY-UHFFFAOYSA-N 379.887 6.682 0 30 GKAC CC(C)(C)c1csc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 2151837 NYAXPYYRZJZLBR-UHFFFAOYSA-N 378.419 6.314 0 30 GKAC O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccs1 4382774 ZWCVLBGORBCWEO-UHFFFAOYSA-N 376.308 5.898 0 30 GKAC Cc1c(C)c(C(=O)O)c(Nc2ccccc2)c(Nc2ccccc2)c1C(=O)O 146296494 OERSSJHLKKAUHT-UHFFFAOYSA-N 376.412 5.187 0 30 GKAC CC1(C)CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1 1036877 PRJLGDOZRZRPPQ-UHFFFAOYSA-N 394.327 5.913 0 30 GKAC FC(F)(F)c1cnc(C(=NNc2ccccc2)c2cccnc2)c(Cl)c1 254406014 AHXBLDSMVSERDD-UHFFFAOYSA-N 376.769 5.013 0 30 GKAC CSc1scc2c1-c1nn(C(=O)c3cccc(C(F)(F)F)c3)cc1CC2 1038085 MCHAOUCHFDLLRE-UHFFFAOYSA-N 394.443 5.139 0 30 GKAC COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 3138522 DLZODCLGQYZMCL-OAHLLOKOSA-N 375.704 5.523 0 30 GKAC CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)NC(C)(C)C)CCC[C@@]21C 4322126 SFVUBZKBBOIZLG-ZODMCCGTSA-N 384.608 5.918 0 30 GKAC CC(C)(C)c1ccc(C(=N)S[C@@H](C(=O)C(F)(F)F)c2ccccc2)cc1 4389995 YISJQJTVXRRQGG-MRXNPFEDSA-N 379.447 5.915 0 30 GKAC N#CC(=Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 6025874 OFZCDYGHNINGMO-UHFFFAOYSA-N 395.867 5.471 0 30 GKAC C[C@H](NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 1041776 HGXKXDKNVTYHMG-HNNXBMFYSA-N 382.916 6.180 0 30 GKAC O=C1OC(c2c(Cl)cccc2Cl)=N/C1=C/c1ccc(Cl)c(Cl)c1 4381813 QNXUUFHQFOZCKO-NTUHNPAUSA-N 387.049 5.645 0 30 GKAC CSc1ccc(-c2c(-c3cccs3)cc(-c3ccc(Cl)cc3)n2C)cc1 2152746 GITXOKAPJLCKGQ-UHFFFAOYSA-N 395.980 7.463 0 30 GKAC FC(F)(F)c1cnc(CSc2nnc(SCC3CC3)s2)c(Cl)c1 3127552 BYWJUYRXRVJIMV-UHFFFAOYSA-N 397.900 5.400 0 30 GKAC Cc1c(Cl)c(C(C)C)cc(O)c1Cc1c(O)cc(C(C)C)c(Cl)c1C 33986240 XNZXHUFTLHPYJI-UHFFFAOYSA-N 381.343 6.859 0 30 GKAC Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnc(SCc2ccccc2)n1 1031905 RQUXLZIECBLYDZ-UHFFFAOYSA-N 393.899 6.053 0 30 GKAC CSc1ccc(Oc2ncc(Br)cc2C(=O)OC(C)(C)C)cc1 725328047 OHJBOWPSFCLLKX-UHFFFAOYSA-N 396.306 5.314 0 30 GKAC O=C(c1cccs1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1Cl 4335033 AFCOYDHPOLXTTO-UWJYYQICSA-N 392.911 5.565 0 30 GKAC CC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(Cl)cc1 33884423 TXUNPXGRECFOEW-UHFFFAOYSA-N 384.878 6.766 0 30 GKAC O=C(O)CCCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1 49872018 KIPBLPMQCQBXLN-UHFFFAOYSA-N 377.484 6.366 0 30 GKAC Cc1c(C)c(C)c(CSCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1C 1037957 CTZHUFZMRRGCIZ-UHFFFAOYSA-N 379.928 5.893 0 30 GKAC Clc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1Cl 4390735 ONKHXEWDRQCZEJ-UHFFFAOYSA-N 390.320 6.302 0 30 GKAC Cc1cc(C)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)[nH]c2c1 4333797 XUXQDYKBZXWCTF-UHFFFAOYSA-N 390.911 5.240 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 215502668 GLATUUHMBGUZCT-QKWCZOFSSA-N 386.664 7.389 0 30 GKAC O=C(NN=Cc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 254763589 OLGQIFYUVAMDLC-UHFFFAOYSA-N 399.277 5.336 0 30 GKAC O=C(CSc1ccc(Cl)cc1)Nc1ccc(C2SCCS2)cc1 1037371 DPWSAMQHLDUQEG-UHFFFAOYSA-N 381.975 5.549 0 30 GKAC CCc1cc2c(cc1-c1cnc(Nc3ccccc3)s1)C(C)(C)CCC2(C)C 4305222 ILYPEVSMWHWPTN-UHFFFAOYSA-N 390.596 7.465 0 30 GKAC CC[C@@H](C)Sc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 4382958 CUIMPVGWUUSQNC-SNVBAGLBSA-N 388.842 5.897 0 30 GKAC COc1ccc(-n2c(S)nnc2CSCc2cccc3ccccc23)cc1 1043353 JDXDTXFCOZGWLX-UHFFFAOYSA-N 393.537 5.151 0 30 GKAC CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 1047202 LOEHUPBQFNEDIB-UHFFFAOYSA-N 385.920 5.398 0 30 GKAC Cc1c(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)sc2ccc(Cl)cc12 4390711 NUXDARUYLYFIIH-UHFFFAOYSA-N 397.996 7.951 0 30 GKAC CCN(CC)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1032346 AXDUFKFSPVRANT-UHFFFAOYSA-N 389.499 5.756 0 30 GKAC Cc1[nH]c2ccccc2c1SCc1nnc(SCc2ccccc2)n1C 1039373 NLOKNXZBJAZFPY-UHFFFAOYSA-N 380.542 5.189 0 30 GKAC COc1ccc([C@@H]2C[C@H]2C(C)=NOc2ncc(C(F)(F)F)cc2Cl)cc1 4013443 NQYRSCSHZVNIEC-GJZGRUSLSA-N 384.785 5.321 0 30 GKAC Cc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c(C)c1 4390753 RWTRDCLNZRDGQE-UHFFFAOYSA-N 399.606 6.485 0 30 GKAC O=Cc1cccc(F)c1Oc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 2265385292 DYSBGZASBJVMAQ-UHFFFAOYSA-N 388.826 5.378 0 30 GKAC Cc1cc(Nc2ccc(F)cc2)nc(SCc2c(Cl)cccc2Cl)n1 832567 NIPBXWIGJLKWHV-UHFFFAOYSA-N 394.302 6.267 0 30 GKAC COc1ccc(-c2ncccc2C(=O)c2cccnc2-c2ccc(OC)cc2)cc1 96328385 MTCBDDMCSFDWRU-UHFFFAOYSA-N 396.446 5.059 0 30 GKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](O)[C@@H]1CCCCO1 604970769 GGBCWHWUPQPXOU-KEOOTSPTSA-N 382.673 7.382 0 30 GKAC CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)N[C@H]1CCCC[C@H]1OC(=O)c1ccccc1)C2 2265351482 BXLHQOQNCKZJHN-IYXACIGFSA-N 399.531 5.096 0 30 GKAC O=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(F)(F)F)c1 1029968 UCBXFYUXJKITGU-UHFFFAOYSA-N 377.135 5.251 0 30 GKAC CC(C)NC(=O)Nc1nc2c(-c3ccccc3)c(C(F)(F)F)sc2s1 36047234 KUIDNJYZBVGSAZ-UHFFFAOYSA-N 385.436 5.574 0 30 GKAC Cc1ccccc1[C@@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1ccccc1C 5783070 KAURRWFQPSCBHO-NSOVKSMOSA-N 394.514 5.475 0 30 GKAC CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C 5820319 LPYUOHUCVXCMSY-UHFFFAOYSA-N 390.564 6.577 0 30 GKAC CC1=C(C)C[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 100207259 LJWUFDXBABOATK-WOJBJXKFSA-N 381.859 5.368 0 30 GKAC CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccc(OCc3ccccc3)c2)C1 526059799 HYPNYEDYRKELIB-HXUWFJFHSA-N 395.499 5.095 0 30 GKAC Cc1ccc(C=NNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 13147118 DVMZDTONNOJQIA-UHFFFAOYSA-N 398.310 5.422 0 30 GKAC CCCCCC[C@H](C)OC(=O)CCCCCCCCCCCCCCC(C)C 96330642 OAQWWRSICWQQSE-VWLOTQADSA-N 396.700 9.006 0 30 GKAC CC(=NOC(=O)Nc1cccc(Cl)c1)c1sc(-c2ccccc2)nc1C 254790181 GTNZFFZXHZWRSP-UHFFFAOYSA-N 385.876 5.745 0 30 GKAC Cc1cccc(Cl)c1NC(=S)N[C@H](Cc1ccccc1)c1ccccc1 1041737 LHTLPGOZLLOCIS-HXUWFJFHSA-N 380.944 5.919 0 30 GKAC in-vitro Cc1cc(SCC(=O)c2sc3ccc(Cl)cc3c2C)c(C)cc1Cl 2150314 BEQWRZHBYOUQTJ-UHFFFAOYSA-N 395.376 7.108 0 30 GKAC O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@@H]2c1ccc(Cl)cc1 13465785 OAQHVOFDSXZHLQ-UEVCKROQSA-N 388.854 5.645 0 30 GKAC FC(F)(F)c1ccc(N2CCC(C(c3ccccc3)c3ccccc3)CC2)nc1 20443833 YSYIULZEOXZSDJ-UHFFFAOYSA-N 396.456 6.149 0 30 GKAC CC(C)CCCCCOC(=O)c1cccc(C(=O)OCCCCCC(C)C)c1 38655944 IMIOEHJVRZOQBJ-UHFFFAOYSA-N 390.564 6.433 0 30 GKAC COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c(C(F)(F)F)o2)cc1 1029786 GNSUPUAQHPIXNS-UHFFFAOYSA-N 379.309 5.365 0 30 GKAC O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1 1033960 VOHSKLTZANOZLY-UHFFFAOYSA-N 391.818 5.115 0 30 GKAC Clc1cccc(Cl)c1[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 4376867 QMMUVEXCUXISAD-HXUWFJFHSA-N 384.331 7.351 0 30 GKAC Cc1cc2nc(C=Cc3ccccc3)n(Cc3ccc(C(C)(C)C)cc3)c2cc1C 2265276888 KJMZRPRXDRZFMK-UHFFFAOYSA-N 394.562 7.169 0 30 GKAC Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl 2568329 TVFXBXWAXIMLAQ-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC biogenic,in-vitro Cc1cccc(C)c1NC(=O)NCCSCc1c(Cl)cccc1Cl 3131855 OHPXCNDMLXXPGR-UHFFFAOYSA-N 383.344 5.665 0 30 GKAC Cc1ccc(C(=O)C[C@@H](Sc2ccc3ccccc3c2)c2ccsc2)cc1 4377630 GOFGXPXSBXQCDY-XMMPIXPASA-N 388.557 7.316 0 30 GKAC O=C(Nc1cccc(SC(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 33611021 HMYXMPYYJLJTFD-UHFFFAOYSA-N 381.206 6.249 0 30 GKAC Cc1cccc(CON=Cc2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)c1 254869066 YZJFLIBONPKNHW-UHFFFAOYSA-N 389.886 5.822 0 30 GKAC O=C(O)C[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1Br 39409763 NPDHHRQKABGAJT-CYBMUJFWSA-N 391.158 5.214 0 30 GKAC O=c1c(Cc2ccccc2Br)c(-c2ccccc2)oc2ccccc12 3138114 VUZCMVFPHKJSJH-UHFFFAOYSA-N 391.264 5.813 0 30 GKAC Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2cccs2)cc1 19324607 XXOYMPFUKVYOHU-UHFFFAOYSA-N 384.495 5.433 0 30 GKAC CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCC(C)C 33953475 SHJGZTHMRQYWME-MURFETPASA-N 392.668 8.560 0 30 GKAC COc1ccc(C2=CC(c3ccc(C)cc3)=NN=C(c3ccc(C)cc3)C2)cc1 32266901 SPZWDDULVWCZAR-UHFFFAOYSA-N 380.491 5.993 0 30 GKAC CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C 5440827 IHXYISPZQCLSIX-UHFFFAOYSA-N 398.628 6.846 0 30 GKAC CC(C)(C)OC(=O)c1cc(Br)cnc1Sc1ccc(F)cc1 725328018 IXTIATSDMOLARD-UHFFFAOYSA-N 384.270 5.090 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3 13548126 QETLKNDKQOXZRP-VPZOQLPXSA-N 386.664 7.533 0 30 GKAC CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 504040798 PKEPPDGGTSZLBL-ZOFZDPPZSA-N 384.648 7.309 0 30 GKAC biogenic O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1 3119822 VAJGTHNEGWAHMC-UHFFFAOYSA-N 380.054 5.536 0 30 GKAC Cc1ccn2c(C=NOCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1 254593549 RTQPJVNHDHTDHI-UHFFFAOYSA-N 393.849 5.653 0 30 GKAC O=C(CN(Cc1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 4333905 KSJMVKAXMBPTIA-UHFFFAOYSA-N 377.487 6.243 0 30 GKAC CCNc1nc(SCc2ccc(F)cc2)nc2sc3c(c12)CC[C@@H](C)C3 4334748 CHSPEYXCAHJIIC-GFCCVEGCSA-N 387.549 5.679 0 30 GKAC COCc1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl 90411752 AFHLDEYIEXNJIN-UHFFFAOYSA-N 398.663 5.018 0 30 GKAC CC1=C(C)[C@H](CC[C@H](C)C(=O)O)[C@@](C)(COc2ccc3ccc(=O)oc3c2)CC1 238763116 GFUKNFFFEGYQPX-GSMBIVSISA-N 398.499 5.425 0 30 GKAC COc1ccccc1NC(=O)Nc1sccc1-c1nc2ccccc2s1 1035202 XPRSZXMNSHROBI-UHFFFAOYSA-N 381.482 5.677 0 30 GKAC CC(C)(C)C(=O)Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1 4364275 FCISTJNKJHPDMD-UHFFFAOYSA-N 394.565 6.369 0 30 GKAC Cc1ccccc1CSc1nccc(/C=C/c2sc3ccccc3c2C)n1 4365900 NCGOKWDOVSYYQA-VAWYXSNFSA-N 388.561 6.771 0 30 GKAC COc1ccc(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(O)c1 1043902 HGFKSMIVKKLVMF-QFIPXVFZSA-N 377.465 5.464 0 30 GKAC CCCCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 4333188 XTSWTSWUCLHPCD-UHFFFAOYSA-N 386.561 5.210 0 30 GKAC Cc1cccn2c(C=NOCc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12 254620109 KDYRYTYEZDBVKN-UHFFFAOYSA-N 393.849 5.653 0 30 GKAC COc1c(Br)cc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 5963365 GNXIHRXUXDYFEB-LAUBAEHRSA-N 379.382 6.611 0 30 GKAC CC(C)CC(CCCC(Cl)(Cl)Cl)(CC(C)C)OP(=O)(O)O 223471135 ZCFSBXLUHNDJOI-UHFFFAOYSA-N 383.680 5.467 0 30 GKAC COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 3138523 DLZODCLGQYZMCL-HNNXBMFYSA-N 375.704 5.523 0 30 GKAC Brc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1 36417626 VWNDZXYWEVLZRV-UHFFFAOYSA-N 387.280 6.240 0 30 GKAC Cc1ccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2)c2c1CCC2 1034343 QXMXBOLZVKETIT-UHFFFAOYSA-N 377.419 5.454 0 30 GKAC FC(F)(F)c1cccc(Sc2nc(C(F)(F)F)nc3ccsc23)c1 4389975 JHBWCTGIXQRVBE-UHFFFAOYSA-N 380.338 5.880 0 30 GKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 4343887 JHIAVJNQHKCIOU-VGSWGCGISA-N 377.509 6.515 0 30 GKAC Cc1ccccc1N(C(=O)c1ccccc1)c1c(C(=O)O)ccc2ccccc12 32266430 QZXZZPJRDRYUHN-UHFFFAOYSA-N 381.431 5.825 0 30 GKAC CCOc1ccc(NC(=O)[C@@H](Nc2ccc(OCC)cc2)c2ccccc2)cc1 1041600 GAQDAAOMCRBVRJ-QHCPKHFHSA-N 390.483 5.276 0 30 GKAC Cc1cc(C)c(O)c([C@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C[C@H]2c2cc(C)cc(C)c2O)c1 267324688 AJYZDMPJXLEGMQ-VPGZLLHJSA-N 376.540 6.265 0 30 GKAC CCCC[C@H](CC)COC(=O)C1=C(C(=O)OC[C@@H](CC)CCCC)CCCC1 5822092 ZVPBHZIVOWGPMT-PMACEKPBSA-N 394.596 6.376 0 30 GKAC O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1Cl)CCCC3 1033727 DFCQWNDXUYENCB-UHFFFAOYSA-N 383.325 5.295 0 30 GKAC CCOC(=O)c1sc2sc(C(=O)c3ccc(Cl)cc3)c(C)c2c1C 1037831 OIGXCWMHXIKQHV-UHFFFAOYSA-N 378.902 5.641 0 30 GKAC O=C(C[C@@H](SC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 3128044 PKYVBEROOUEKKB-OAQYLSRUSA-N 380.896 6.228 0 30 GKAC CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@H](C)c1ccccc1 33820103 RWIUTHWKQHRQNP-RLYLQSHJSA-N 383.620 7.677 0 30 GKAC in-man CN(C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 248127894 PMGFTIDUJNLRSY-GWZVJQKXSA-N 397.603 5.613 0 30 GKAC ON=C(c1ccccc1)c1cc2cc(Br)cc(Br)c2o1 254304451 UXGYUCGKZIMRGV-UHFFFAOYSA-N 395.050 5.184 0 30 GKAC Cc1cc(C)cc(OC(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2)c1 1034129 JGVLAGLXTKPWGC-UHFFFAOYSA-N 377.223 6.215 0 30 GKAC O=C(C[C@@H](Sc1ccccc1C(=O)O)c1ccc(Cl)cc1)c1ccccc1 2159125 UELFNFUKKKOLDT-OAQYLSRUSA-N 396.895 6.145 0 30 GKAC O=C(Nc1ccc(Cl)cc1)n1nccc1-c1ccc(-c2cccs2)s1 1039664 KNQWPICOHIKNBG-UHFFFAOYSA-N 385.901 6.074 0 30 GKAC Cc1noc(C)c1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 1046490 BUWOLDDWAOWVEC-UHFFFAOYSA-N 377.244 5.046 0 30 GKAC CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c2ccc(O)cc2oc1=O 100899302 BRIROITVQMZRGP-XURGJTJWSA-N 382.500 6.166 0 30 GKAC in-vitro N=c1scc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 4307008 YTZQCSAWTKZLGU-UHFFFAOYSA-N 399.235 5.467 0 30 GKAC Cc1c(O)c(Sc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 4375648 WNAILYIENRAFJO-UHFFFAOYSA-N 385.488 5.670 0 30 GKAC C[C@@H](CCC(=CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C 105285481 NWNPVUYOZGIYLE-SGNDLWITSA-N 392.756 10.080 0 30 GKAC CCCSC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl 254484402 NZVASSZNVPLADZ-UHFFFAOYSA-N 398.746 6.650 0 30 GKAC CC(C)(C)c1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2s1 4324162 IKZMIJXXDQAPFB-UHFFFAOYSA-N 380.561 5.065 0 30 GKAC COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Oc1ccc(Cl)cc1 3467301 OXGMFTCGRCNIRK-UHFFFAOYSA-N 398.686 5.605 0 30 GKAC N#[N+]c1cc(OCCO)c(N(Cc2ccccc2)Cc2ccccc2)cc1Cl 38604859 FHFHJECWEYWFFO-UHFFFAOYSA-N 394.882 5.402 0 30 GKAC Cc1cccc(-n2c(S)nnc2CSCc2cccc3ccccc23)c1 1043356 FBNIOEKBMBBINA-UHFFFAOYSA-N 377.538 5.451 0 30 GKAC Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 4301885 SRSVFQOMBYOAET-UHFFFAOYSA-N 399.708 7.371 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 2265365072 YGPZWPHDULZYFR-AALSTEHBSA-N 385.680 7.355 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 263596990 GGCLNOIGPMGLDB-LDRZEREZSA-N 384.648 7.597 0 30 GKAC Cc1ccc(-c2cc(Cc3ccc(OCc4ccccc4)cc3)c(O)nn2)cc1 1032972 RGUSOOUTAJZCKZ-UHFFFAOYSA-N 382.463 5.327 0 30 GKAC CCOC(=O)c1sc(-c2ccccc2)nc1CSc1ccc(Cl)cc1 2148543 GHBVJNQJZUAKCL-UHFFFAOYSA-N 389.929 5.933 0 30 GKAC CN1O[C@@H](c2ccc(Cl)cc2)C[C@]1(Cn1ccnc1)c1ccc(Cl)cc1 596854 JQNRGBCRWDMIDS-UXHICEINSA-N 388.298 5.094 0 30 GKAC C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)OC1=O 147211929 XNUSQYHQXBBQMZ-DYXWJJEUSA-N 375.295 6.348 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 299803553 XWLVEWKCYVZSSD-OWDZWQNUSA-N 398.719 8.910 0 30 GKAC CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 504040794 PKEPPDGGTSZLBL-UBUHFNAQSA-N 384.648 7.309 0 30 GKAC biogenic CCCC[Sn](CCCC)(CCCC)C[C@H]1CC1(F)F 1536222110 ZVMGYNCGEFGYHA-QVTWQEFQSA-N 381.139 6.491 0 30 GKAC CN(C)c1ccc(/C=N/Nc2ccccc2-c2cccc3ccccc23)c(Cl)c1 141945817 UMBYWVLCHLDFHN-WPWMEQJKSA-N 399.925 6.672 0 30 GKAC CC1=C(C)[C@H](C)C(C(C2=C(C)C(C)=C(C)[C@H]2C)C2=C(C)C(C)=C(C)[C@H]2C)=C1C 263583820 BGIKSKHWJSRIJQ-LSWJPFSZSA-N 376.628 8.510 0 30 GKAC O=C(O)c1ccc(-c2ccc3cc(O)c([C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)cc3c2)cc1 2265339975 VCQGNUWOMLYNNG-HYVKCOOLSA-N 398.502 6.378 0 30 GKAC CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)c1cccc(Cl)c1 16697261 IAXVTBRCESIBNV-SFHVURJKSA-N 389.879 5.039 0 30 GKAC Cc1cc([C@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C[C@H]2c2cc(C)c(O)c(C)c2)cc(C)c1O 267327667 NTNHMKQNPOAEHC-PRLJRECGSA-N 376.540 6.265 0 30 GKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343833 UIHTYLURQRTVDO-WMZHIEFXSA-N 375.924 6.870 0 30 GKAC O=C(Nc1ccc(N2CCC(n3cccc3)CC2)cc1)c1ccccc1Cl 1039848 HTFRLSQSCOSCIM-UHFFFAOYSA-N 379.891 5.235 0 30 GKAC CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O 111850295 ABXNBKQSDWIZQP-UHFFFAOYSA-N 398.628 7.436 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)CC(C)(C)C 4382394 HWUGVHQMXVTJFH-UHFFFAOYSA-N 383.319 5.901 0 30 GKAC CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C 72266260 ILYCWAKSDCYMBB-VKXTXMCSSA-N 398.675 7.721 0 30 GKAC in-man N#CC(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(C(F)(F)F)cc1 254845141 IAXHFRVHDQLUHE-UHFFFAOYSA-N 385.271 5.757 0 30 GKAC Fc1ccccc1C=Cc1nc2ccc(OC(F)(F)F)cc2c2c1CCS2 2265279418 XHEKOUWQVZQTKA-UHFFFAOYSA-N 391.389 6.091 0 30 GKAC O=C(c1ccccc1)c1c(Cl)nc(Cl)c(C(=O)c2ccccc2)c1Cl 96032705 GHVOAZJMEMTANJ-UHFFFAOYSA-N 390.653 5.504 0 30 GKAC Cc1nc(-c2ccccc2)nc2sc(C(=O)c3cc4ccccc4o3)c(N)c12 1030430 UHBFUQGPYCGZGU-UHFFFAOYSA-N 385.448 5.226 0 30 GKAC COC(=O)c1ccccc1S[C@H](CC(=O)c1cccnc1)c1ccc(F)cc1 1041397 WWAKXDRPSGQFQP-OAQYLSRUSA-N 395.455 5.114 0 30 GKAC CC(=NOC(=O)c1ccc(C)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 254615972 RLKMKKLZAREJED-UHFFFAOYSA-N 384.888 5.661 0 30 GKAC CCN(CC)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N(CC)CC)n1 4390505 QCIIDMXEQKIBNW-UHFFFAOYSA-N 396.579 5.324 0 30 GKAC Cc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 254744456 BMRAHZAPNVGROY-UHFFFAOYSA-N 389.842 5.154 0 30 GKAC CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 4698159 ICBBAWYEDQWVDJ-YBEGLDIGSA-N 377.296 5.096 0 30 GKAC CC(C)[C@@H]1CCC2=CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]21 299803214 AVTGQJYGWNWEOR-WKWAGDHQSA-N 396.703 8.664 0 30 GKAC FC(F)(F)c1cccc(Oc2nccnc2-c2noc(-c3cccs3)n2)c1 1039347 YJSHLIKPEOKRFR-UHFFFAOYSA-N 390.346 5.066 0 30 GKAC O=C(Nc1cccc2ccccc12)[C@H]1CC[C@H]1C(=O)Nc1cccc2ccccc12 1998538 GQMNVHUHWNUGCO-SZPZYZBQSA-N 394.474 5.596 0 30 GKAC CC1=C(O)[C@H](C/C(C)=C/CC[C@H](C)/C=C/C=C(\C)CCCc2ccoc2)OC1=O 142518130 UXFNAATUJSSAHF-BQUHHUBKSA-N 398.543 6.615 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1ccc(F)cn1 201408392 DDODSCAEMGSLPO-UHFFFAOYSA-N 386.143 5.277 0 30 GKAC CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)CC1 253497120 OMSQZXMXTHHWJM-AKMOFFSESA-N 398.631 8.053 0 30 GKAC CCSc1cc(C(F)(F)F)c(C(=O)N(CC)c2ccc(Cl)cc2)cn1 1042963 ZZPDYSHYIJXXMS-UHFFFAOYSA-N 388.842 5.533 0 30 GKAC FC(F)(F)Oc1ccc(NC(=S)NCc2csc3ccccc23)cc1 4362219 NSYLIADZOZURNZ-UHFFFAOYSA-N 382.432 5.287 0 30 GKAC C[C@H](CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)(C)C 33606475 OZVDVFHHRMNCDJ-LLVKDONJSA-N 381.727 6.031 0 30 GKAC FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1 19835205 WNQJRGNQJXBGAH-SFHVURJKSA-N 378.419 5.123 0 30 GKAC O=C(Nc1ccc(C(F)(F)F)cn1)c1cccnc1Oc1ccc(Cl)cc1 1034065 JSWVCVXVXXIQKL-UHFFFAOYSA-N 393.752 5.193 0 30 GKAC C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)cc(=O)c1C 13307934 VKAOERDMNZUNBK-HWMDAMIQSA-N 386.532 5.301 0 30 GKAC in-vitro CCCC[Sn](CCCC)(CCCC)N(CC)C(=O)OC 195811011 YTPREKJCVBYQMI-UHFFFAOYSA-M 392.172 5.421 0 30 GKAC O=c1c(CC=Cc2ccccc2)c(O)ccn1Cc1ccc(Cl)cc1Cl 2265270021 WFRAUCNBSDLATB-UHFFFAOYSA-N 386.278 5.165 0 30 GKAC O=C(Nc1cc(F)c(Br)cc1F)C(F)(F)Sc1ccccc1 1042388 XRLZSCZZOWOIKP-UHFFFAOYSA-N 394.187 5.051 0 30 GKAC F/C(Cl)=C(\F)[C@](F)(Cl)[C@@](F)(Cl)[C@@](F)(Cl)C(F)(Cl)Cl 137724334 YZAZVKATWCVLMC-NBDWNGCFSA-N 398.772 6.148 0 30 GKAC C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc(/N=N/c2ccccc2C(=O)O)cc1 138110665 ADPLEQIQBYGELZ-KQLXHBINSA-N 394.302 5.861 0 30 GKAC FC(F)(F)c1cc(Cl)c2c(c1)N=C(c1ccccc1)CC(c1ccccc1)=N2 4334814 UFBJJGWDRFGUAK-UHFFFAOYSA-N 398.815 7.004 0 30 GKAC Clc1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCCN23)cc1Cl 19319082 NCTAKURMVKIVDE-NQIIRXRSSA-N 375.343 5.752 0 30 GKAC Cc1ccccc1NC(=S)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 1026785 LJLWQAFEQNYAOY-UHFFFAOYSA-N 394.471 5.266 0 30 GKAC Cc1cc(OC(=O)[C@H](c2ccccc2)C2CCCC2)c(Cl)c(C)c1Cl 2161172 AXWKOLNXHJVKEE-GOSISDBHSA-N 377.311 6.490 0 30 GKAC CCc1cccc(CC)c1NC(=O)[C@@H](Sc1ccccn1)c1ccccc1 3135216 XJZXUHXEIWQQMA-QFIPXVFZSA-N 376.525 5.679 0 30 GKAC CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 4321607 HYPWZYISERGSIB-FVLGBLRTSA-N 396.767 5.140 0 30 GKAC CC(C)CCCCCCCCCCCCCCCCCCCCCCCO 5758012 XCAKLCDEUPZJOI-UHFFFAOYSA-N 382.717 9.217 0 30 GKAC biogenic,in-vitro Cc1cc([C@@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@H]2c2cc(C)c(O)c(C)c2)cc(C)c1O 267327660 NTNHMKQNPOAEHC-FCUGKPCYSA-N 376.540 6.265 0 30 GKAC Clc1ccc(CON=Cc2cccnc2Sc2ccccc2)cc1Cl 3105182 KKCPXJKGKSKADQ-UHFFFAOYSA-N 389.307 6.090 0 30 GKAC O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccccc1O 1041843 RZFASUSBVPHIMK-UHFFFAOYSA-N 397.887 5.107 0 30 GKAC CCC(C)(C)c1ccc(O[P@@](=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1 33609180 YATKRTVRZBVBLA-UHFFFAOYSA-N 376.433 6.230 0 30 GKAC CCCCC/C=C\C/C=C\CCCCCC[C@@H](NCCOC=O)C(=O)OCC 142094004 UKEKRCKBDRCNOP-ACHLGWJNSA-N 395.584 5.104 0 30 GKAC O=C(Nc1ccccc1)Nc1ccccc1Sc1c(Cl)cncc1Cl 3125983 HVFYEPSMSVWUOI-UHFFFAOYSA-N 390.295 6.184 0 30 GKAC CCCCCCCCCCCC(=O)[C@H](CCCCCCCCCC)C(=O)O 78739624 LZCSGXIVRQXJNJ-QFIPXVFZSA-N 382.629 7.708 0 30 GKAC COc1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)c1 1033999 KSQRVISHADNGQF-UHFFFAOYSA-N 388.345 5.154 0 30 GKAC O=C(Cn1cc(-c2ccccc2)nc1SCc1ccccc1)c1ccccc1 4334707 OLVRHFUUJGFPEC-UHFFFAOYSA-N 384.504 5.725 0 30 GKAC CCCC[C@H](CC)COC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5515089 XSTLHFQIGNKYFG-RYUDHWBXSA-N 381.727 6.174 0 30 GKAC Cc1cc(C(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2)c(C)o1 1034325 UBQRWBRQXFDJRQ-UHFFFAOYSA-N 377.227 5.643 0 30 GKAC CC(C)CCN(CCC(C)C)C[C@H](O)Cn1c2ccccc2c2ccccc21 3128830 LFZVMDKWSHNFBN-NRFANRHFSA-N 380.576 5.550 0 30 GKAC O=C(N/C=C/c1ccsc1)Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1026300 JRDBYXFLXLPPML-HNQUOIGGSA-N 397.365 6.258 0 30 GKAC CC(=O)c1oc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCc1ccccc1-3 1035698 GBRIEYAWAOILJG-UHFFFAOYSA-N 388.854 5.699 0 30 GKAC CC[C@H](COC(=O)c1ccccc1C(=O)OC[C@H](CC)CC(C)C)CC(C)C 5599054 OQTICVORXAJFST-BGYRXZFFSA-N 390.564 6.145 0 30 GKAC C[C@@H](CCC(=CC[C@@H](C)CC(C)(C)C)CC[C@@H](C)CC(C)(C)C)CC(C)(C)C 105285491 NWNPVUYOZGIYLE-SMIHKQSGSA-N 392.756 10.080 0 30 GKAC CC1(C)[C@@]2(C)CC(Cl)(Cl)[C@@]1(Cl)C(Cl)(Cl)C2(Cl)Cl 138130095 RYBNDUVSVGHRAZ-HTRCEHHLSA-N 379.369 5.936 0 30 GKAC COc1cc(/C=N/c2c(Cl)cccc2Cl)cc(Br)c1O 238790214 NUHWZEJHWKORNT-CNHKJKLMSA-N 375.049 5.221 0 30 GKAC Fc1ccc(C=Cc2nc3c(Oc4ccccc4)cccc3c3c2CCS3)cc1 2265279389 NQCZVNAFWZTWBH-UHFFFAOYSA-N 399.490 6.985 0 30 GKAC CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 1033744 LGJYDLQNPITECQ-NSHDSACASA-N 392.908 5.347 0 30 GKAC C[C@@H](c1ccccc1)c1cccc([C@H](C)c2ccccc2)c1OP(=O)(O)O 38652675 PMZOXOKWFQJNEU-CALCHBBNSA-N 382.396 5.462 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 79475215 WALOTKIPDQGPLH-BPIBQTEVSA-N 398.719 9.054 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 256283867 CNGURAIWUJEFTA-FQHQYFNXSA-N 386.664 7.389 0 30 GKAC CC1=C(O)[C@@H](C/C(C)=C/CC[C@H](C)/C=C/C=C(\C)CCCc2ccoc2)OC1=O 101578506 UXFNAATUJSSAHF-KCWPHIDLSA-N 398.543 6.615 0 30 GKAC Cc1c(C(=O)COC(=O)c2ccccc2Cl)sc2ccc(Cl)cc12 1040527 VDGUAWZGMVSYFL-UHFFFAOYSA-N 379.264 5.556 0 30 GKAC O=C1C(=NNc2ccccc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 254872298 PLGZBBRAGGMAJY-UHFFFAOYSA-N 396.277 5.356 0 30 GKAC CCC(CC)C(=O)OC[C@@H]1[C@H](COC(=O)C(CC)CC)C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 585139028 XQEFKLYZHZAQJH-YVZLVKDNSA-N 392.580 5.244 0 30 GKAC O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1cccc(Cl)c1 1028112 OHCVLHYUPGJNIG-UHFFFAOYSA-N 380.757 5.189 0 30 GKAC Clc1ccc(-c2nc(-c3ccccc3Cl)[nH]c2-c2ccc(Cl)cc2)cc1 3126526 PWRLXBPVCQLMQH-UHFFFAOYSA-N 399.708 7.371 0 30 GKAC CSc1cc(-c2ccc(Oc3ccccc3)cc2)nn1C(=O)c1ccccc1 3171218 JWGCWRWESQKIIV-UHFFFAOYSA-N 386.476 5.753 0 30 GKAC Oc1c(Cl)cc(Cl)cc1Oc1c(Cl)cc(Cl)c(Cl)c1Cl 6091271 DQISXCMVFSGHHZ-UHFFFAOYSA-N 392.880 7.105 0 30 GKAC Nc1ccc(Cl)c(Cl)c1SSc1c(N)ccc(Cl)c1Cl 221903846 GKYVRMFWJJINHT-UHFFFAOYSA-N 386.156 6.264 0 30 GKAC COc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc34)C2)cc1 4377309 MIAFJFFQPIGYJN-AREMUKBSSA-N 395.527 7.206 0 30 GKAC CO[C@@H](C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1 33884504 LDNQDHITMCULEY-FQEVSTJZSA-N 390.523 6.681 0 30 GKAC CC1=C(/C=C/C2=CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O)CC1 44964103 XQFJZHAVTPYDIQ-GSTYMVASSA-N 396.659 7.641 0 30 GKAC CC(C)(c1ccc([C@@H]2CCCC[C@@H]2O)cc1)c1ccc([C@H]2CCCC[C@H]2O)cc1 200266160 JJHFVWICUOOOQM-POYMRFPPSA-N 392.583 6.050 0 30 GKAC FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccccn2)cc1 19835156 ANSDVXNZZFSGFO-LJQANCHMSA-N 390.430 5.189 0 30 GKAC CSc1ss/c(=N\c2ccc(OC(F)(F)F)cc2)c1-c1ccccc1 2152480 DLERZRXEPMZZFJ-QNGOZBTKSA-N 399.484 6.330 0 30 GKAC FC(F)(F)Oc1ccc(-c2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 4390757 CDBSBMQNBOAMFW-UHFFFAOYSA-N 390.239 5.201 0 30 GKAC Cc1cc([C@@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3[C@H]2c2cc(C)c(O)c(C)c2)cc(C)c1O 267327676 NTNHMKQNPOAEHC-ZUYSSKMYSA-N 376.540 6.265 0 30 GKAC S=C(NCCc1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1041775 CHKCDUBRPAHBCN-UHFFFAOYSA-N 382.916 5.661 0 30 GKAC CN1CCS/C1=C\C=C1\CCC(/C=C/C2=[N+](C)CCS2)=C1c1ccccc1 39440236 FKSMSXNVDOWJQP-UHFFFAOYSA-N 395.617 5.024 0 30 GKAC Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc2ncccc2c1 1040289 CSPBGKVXDMYKLE-UHFFFAOYSA-N 384.867 5.115 0 30 GKAC CCC1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 60272228 GOPDLMFHMQYLNR-LEFMYDISSA-N 396.703 8.952 0 30 GKAC O=C1c2cccc3c(Sc4ccccc4)ccc(c23)C(=O)N1c1ccccc1 1039016 PZTHSIAKWMMACX-UHFFFAOYSA-N 381.456 5.792 0 30 GKAC CC(C)Sc1nc(NCc2ccccc2)c2c3c(sc2n1)C[C@H](C)CC3 4334750 TXLNVLARSVMCDJ-CQSZACIVSA-N 383.586 5.929 0 30 GKAC FC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)nc1 4394799 NZIQKAQOYDABCR-UHFFFAOYSA-N 387.839 5.565 0 30 GKAC CC(C)CCN(CCC(C)C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 3128831 LFZVMDKWSHNFBN-OAQYLSRUSA-N 380.576 5.550 0 30 GKAC CC(C)CCCCCCCOC(=O)CCC(=O)OCCCCCCCC(C)C 5758178 BQSLMFSQEBXZHN-UHFFFAOYSA-N 398.628 6.846 0 30 GKAC Cc1c(OCc2cccc(OC(F)(F)F)c2)ccc2c1OC(C)(C)CC2=O 1043300 KIMLXTXITFFQHJ-UHFFFAOYSA-N 380.362 5.216 0 30 GKAC CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 59577770 QJZBXSPSDJRHDU-LVSBIWLASA-N 396.703 8.830 0 30 GKAC C(=Cc1nc2c(Oc3ccccc3)cccc2c2c1CCS2)c1cccs1 2265279338 BRMXKXNWEBILPM-UHFFFAOYSA-N 387.529 6.907 0 30 GKAC O=c1c(Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)sc2ccccc12 4344310 JIMRWPSRPNFDKT-UHFFFAOYSA-N 397.326 6.826 0 30 GKAC CC[C@@H](COC(=O)c1ccccc1C(=O)OC[C@H](CC)CC(C)C)CC(C)C 5599324 OQTICVORXAJFST-WOJBJXKFSA-N 390.564 6.145 0 30 GKAC CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)CC1 248290253 SDVNCRWWXQQQNG-HZCBDIJESA-N 378.556 7.322 0 30 GKAC CCNc1nc(SCc2ccc(F)cc2)nc2sc3c(c12)CC[C@H](C)C3 4334749 CHSPEYXCAHJIIC-LBPRGKRZSA-N 387.549 5.679 0 30 GKAC O=C(Nc1cccnc1Sc1ccccc1)[C@H](c1ccccc1)C1CCCC1 4336336 ZFKWWPKJRACYTI-JOCHJYFZSA-N 388.536 6.145 0 30 GKAC CC1=C(/C=C/C2=C3CC[C@@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)[C@@]3(C)CCC2)C[C@H](O)CC1 96030846 WHIQZYTVWTZJNO-PZGFGKBJSA-N 396.659 7.785 0 30 GKAC in-vitro O=C1C(=NOCc2ccc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 254736058 ATYBRMWLHOMDFB-UHFFFAOYSA-N 397.261 5.593 0 30 GKAC CC(=O)c1cc(Cl)cc(Cl)c1OC(=O)c1cccc(C(F)(F)F)c1 1048547 ODKAPGWJQXTYDM-UHFFFAOYSA-N 377.145 5.434 0 30 GKAC FC(F)(F)Oc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 2154629 DQNJGLYENFALTF-UHFFFAOYSA-N 375.133 5.609 0 30 GKAC CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc(C(F)(F)F)c1 3119308 PUOLKTDJCCSJCH-UHFFFAOYSA-N 380.479 6.761 0 30 GKAC COc1ccccc1NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1029965 XCXNEKJJQKMEIL-UHFFFAOYSA-N 389.171 5.121 0 30 GKAC CC(C)Cc1ccc([C@H](C)c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 4390561 MQKTXWOWFGVYAT-AWEZNQCLSA-N 390.405 5.986 0 30 GKAC CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299754710 JEEPHKGUAQDHOE-JTBJEZDUSA-N 384.692 8.808 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1cccc(C)c1 195751635 JMFLWHWNLBJHJF-UHFFFAOYSA-N 381.192 6.051 0 30 GKAC CC1=C(O)[C@H](C/C(C)=C/CC[C@@H](C)/C=C/C=C(\C)CCCc2ccoc2)OC1=O 142518322 UXFNAATUJSSAHF-XWNBROICSA-N 398.543 6.615 0 30 GKAC FC(F)(F)c1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 1046841 DVRUVTLMYGHGGN-UHFFFAOYSA-N 377.387 5.657 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCSC(C)(C)C 3120048 PEQRYIUCFHBAIP-UHFFFAOYSA-N 387.332 5.218 0 30 GKAC O=C(CN(C1CCCC1)C1CCCC1)NC(c1ccccc1)c1ccccc1 3603970 RRFXOKCXVOVYAT-UHFFFAOYSA-N 376.544 5.079 0 30 GKAC O=C1C(=NNc2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1 254496190 UAFYGCUYQXJDEM-UHFFFAOYSA-N 382.250 5.488 0 30 GKAC O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1027109 DJFDAUQGWKZKIP-UHFFFAOYSA-N 377.824 5.072 0 30 GKAC Clc1cccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1 100062015 DCCDDQMSUTXSEX-UHFFFAOYSA-N 387.850 6.149 0 30 GKAC Cc1ccc(-c2cc(-c3csc(COc4ccccc4Cl)n3)on2)cc1C 1031688 FJMDIWKPCNEDHM-UHFFFAOYSA-N 396.899 6.314 0 30 GKAC CSc1nc2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2s1 1040335 HPBQGBJCFLNKEG-UHFFFAOYSA-N 381.482 5.234 0 30 GKAC CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 65739655 SPIVMHAGTHFLMO-ZLYCAGHZSA-N 386.532 5.001 0 30 GKAC biogenic,in-vitro CN(C)C=C1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@@H]1c1ccccc1 8663834 NNZGDVKPEFXOMU-QFIPXVFZSA-N 389.882 5.906 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351821 UIMGHSAOLFTOBF-KULHQBROSA-N 386.664 7.389 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351823 UIMGHSAOLFTOBF-QYQOFFCXSA-N 386.664 7.389 0 30 GKAC CC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 3119793 CWTMNOARYJJULT-UHFFFAOYSA-N 399.947 5.566 0 30 GKAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 143884646 CQRQBKDKLRADER-YTAOHXRWSA-N 384.585 7.662 0 30 GKAC Fc1ccccc1C=Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCS2 2265279224 PWCKVUTZQHIIAB-UHFFFAOYSA-N 399.490 6.985 0 30 GKAC Cc1ccccc1-c1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)o1 1035925 AIXPJANDZGBPSG-UHFFFAOYSA-N 390.462 5.393 0 30 GKAC O=C(C[C@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1ccccc1 1046422 AOSYJRBBWJZFDS-NRFANRHFSA-N 380.440 5.630 0 30 GKAC CCOC(=O)c1cnc2c(F)ccc(F)c2c1Sc1ccc(Cl)cc1 1046897 NBXCQRIUBBARJX-UHFFFAOYSA-N 379.815 5.494 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3cccnc3)n1)C(C)(C)CCC2(C)C 3078832 UGNUGFQRHFNRAH-UHFFFAOYSA-N 376.569 6.784 0 30 GKAC Cc1c(-c2ccnn2C(=O)c2ccc(C(F)(F)F)cc2)sc2ccccc12 1040560 IXCJAQTXYQISLY-UHFFFAOYSA-N 386.398 5.781 0 30 GKAC CCCCCC[C@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5512516 NBWODOKZOKFQJY-NWDGAFQWSA-N 381.727 6.316 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351377 GLATUUHMBGUZCT-OASZOVHBSA-N 386.664 7.389 0 30 GKAC O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(OC(F)(F)F)cc1 4334480 KVOAUKWBBPJVNC-UHFFFAOYSA-N 388.345 6.022 0 30 GKAC O=C(NCCSCc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 4390621 OJKZRKIQWHIRSS-UHFFFAOYSA-N 388.842 5.414 0 30 GKAC COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1cccs1 1034304 ATPAGMSYQXEBQP-UHFFFAOYSA-N 392.889 5.561 0 30 GKAC C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)cc(=O)c1C 13307932 VKAOERDMNZUNBK-ZOHZAYCGSA-N 386.532 5.301 0 30 GKAC in-vitro O=C(CSCc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 1043331 UDTFFJWTVNTOGR-UHFFFAOYSA-N 375.415 5.731 0 30 GKAC Fc1ccc(C2=Nc3ccccc3S[C@H](c3cccc4ccccc34)C2)cc1 4377313 MULGCLTWIPKEDZ-VWLOTQADSA-N 383.491 7.337 0 30 GKAC Cc1cc(C)c(CSCCNC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 4390610 BUAWZJKIKJKJQD-UHFFFAOYSA-N 396.478 5.686 0 30 GKAC Cc1cccc(C)c1NC(=O)CSC(=O)c1sc2ccccc2c1Cl 1036288 DWPJIYMYPPIBDP-UHFFFAOYSA-N 389.929 5.684 0 30 GKAC COc1ccc([C@@H](CC(=O)c2ccccc2)SC(=O)c2ccccc2)cc1 1041684 IMJAVTKTNWUPOJ-JOCHJYFZSA-N 376.477 5.583 0 30 GKAC O=C(CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc(Cl)cc1 1047240 ZYSGXGBOKOSQOH-UHFFFAOYSA-N 398.702 5.407 0 30 GKAC CCCSc1ncccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4381349 AORHEKWNRVNVEN-UHFFFAOYSA-N 398.915 6.282 0 30 GKAC O=C(Oc1ccc(Br)cc1)C1c2ccccc2Oc2ccccc21 1038900 XLWKBLBNTIZMBB-UHFFFAOYSA-N 381.225 5.292 0 30 GKAC Cc1noc(-c2ccccc2)c1CNc1nc(-c2ccccc2)nc2ccccc12 4389340 DJNKHMVWBVSHIJ-UHFFFAOYSA-N 392.462 5.872 0 30 GKAC CCCCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@@H]1c1ccc(F)cc1O 263584517 VKMHRASEXLDXMS-KSFYIVLOSA-N 389.555 5.999 0 30 GKAC CCc1c(-c2coc(CC/C(C)=C/c3ccccc3)n2)oc(OC)c(C)c1=O 1632364 OFVMLCJEDYAOIB-FYWRMAATSA-N 379.456 5.210 0 30 GKAC O=C(Nc1ccc(Cl)cc1)n1nccc1C(c1ccccc1)c1ccccc1 4323425 RXGTUFKHMRUSFA-UHFFFAOYSA-N 387.870 5.797 0 30 GKAC COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1ccc(C(C)(C)C)cc1)CC2 1033245 RPAURFQJHHDJAU-HNNXBMFYSA-N 382.504 5.153 0 30 GKAC COc1ccc(C(C)=O)cc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 1040753 GUQXGAXWJOUDOF-UHFFFAOYSA-N 380.391 5.085 0 30 GKAC COc1ccc([C@H](CC(=O)c2ccccc2)SC(=O)c2ccccc2)cc1 1041685 IMJAVTKTNWUPOJ-QFIPXVFZSA-N 376.477 5.583 0 30 GKAC Cc1cc(Oc2nc3c(Cl)cc(Cl)cc3s2)c2cc(F)ccc2n1 1042643 FRLKRJXGAIKXKO-UHFFFAOYSA-N 379.243 6.391 0 30 GKAC CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 4333755 LGJYDLQNPITECQ-LLVKDONJSA-N 392.908 5.347 0 30 GKAC CSc1cccc(NC(=O)C[C@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)c1 4371622 MADAZVGQGNYULE-CYBMUJFWSA-N 397.418 5.014 0 30 GKAC COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 4336667 GQQJFRXXNIWPTF-QFIPXVFZSA-N 392.886 5.713 0 30 GKAC O=C1O[C@H](Nc2ccccc2SCc2ccccc2Cl)c2ccccc21 3185781 ZJOATHLJOLIESV-FQEVSTJZSA-N 381.884 5.913 0 30 GKAC CC(C)Cc1ccc(C=CC(=O)Nc2ccc(Br)cc2F)cc1 2265279610 FVASXIDWHUWJOP-UHFFFAOYSA-N 376.269 5.439 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351826 UIMGHSAOLFTOBF-YNVYQYNCSA-N 386.664 7.389 0 30 GKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 1037045 SKSUFAVLACTAOV-JTSKRJEESA-N 377.896 6.316 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)Nc1ccc(Cl)cc1 1047198 LNCMGSYXMBPOPW-UHFFFAOYSA-N 396.661 6.254 0 30 GKAC C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[N+](=O)[O-] 65740144 PEDOADQHWFZFKP-JXAWBTAJSA-N 375.424 5.482 0 30 GKAC in-vitro CC(C)(C)c1cc(O)cc(C(C)(C)C)c1C=NNc1cccc2cccnc12 254484588 SLTVYGFCBCSTJF-UHFFFAOYSA-N 375.516 5.981 0 30 GKAC Cc1ccc(-c2cn3cccc(OCc4ccc(Cl)c(Cl)c4)c3n2)cc1 1033387 LWOAAOWPZYPZQY-UHFFFAOYSA-N 383.278 6.196 0 30 GKAC Oc1c(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 2384308 PZAKBNHYWBSZAF-UHFFFAOYSA-N 376.881 6.980 0 30 GKAC Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 3131795 OTEFNUKTPCFMJA-AWEZNQCLSA-N 390.321 5.461 0 30 GKAC CCCCc1ccc(Nc2ncc(C(=O)OCC)c(C(F)(F)F)n2)c(C)c1 4307209 DMGUADKZWNDGLX-UHFFFAOYSA-N 381.398 5.067 0 30 GKAC Cc1c(-c2cnc(NC(=O)c3ccccc3)s2)sc2ccc(Cl)cc12 1040596 GEYLHEJMQIHABZ-UHFFFAOYSA-N 384.913 6.239 0 30 GKAC O=C(Nc1ccc(N2CCC(n3cccc3)CC2)cc1)c1ccc(Cl)cc1 1039849 PQVDFAUCFQQZSX-UHFFFAOYSA-N 379.891 5.235 0 30 GKAC CCCC[C@](CC)(CO)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 96328581 BBSHWPYNESPBAW-QGZVFWFLSA-N 397.726 5.148 0 30 GKAC O=C(Nc1cccnc1Oc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 1043399 RXNIKERRQUKUBH-UHFFFAOYSA-N 392.764 5.798 0 30 GKAC COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 4336668 GQQJFRXXNIWPTF-JOCHJYFZSA-N 392.886 5.713 0 30 GKAC CCOP(=O)(OCC)OCCCCCCCCC(Cl)(Cl)Cl 5575835 ZWVOWVMXJBEWCM-UHFFFAOYSA-N 383.680 6.285 0 30 GKAC c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)OCCO5)cs3)s2)nc1 1031084 NMXZQHGMSHLNDN-UHFFFAOYSA-N 378.478 5.372 0 30 GKAC CCc1cccc(CC)c1NC(=O)[C@H](Sc1ccccn1)c1ccccc1 3135215 XJZXUHXEIWQQMA-JOCHJYFZSA-N 376.525 5.679 0 30 GKAC COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1 4324621 SSHLPUBCGUXJNP-UHFFFAOYSA-N 393.508 5.752 0 30 GKAC CCCCCn1nc(C(=O)NC(C)(C)c2ccc(Cl)cc2)c2ccccc21 218770977 APEGZJKYOJZGKH-UHFFFAOYSA-N 383.923 5.545 0 30 GKAC O=C(Nc1ccc(C=Cc2nc3ccccc3o2)cc1)c1c(F)cccc1F 2265278948 ITYQHBKGMDYQOB-UHFFFAOYSA-N 376.362 5.529 0 30 GKAC COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cc1 1035039 FUUQERCYHKHRLG-HXUWFJFHSA-N 383.900 5.198 0 30 GKAC Cc1ccccc1O[C@H](CCN(C)C(=O)Oc1ccccc1)c1ccccc1 38646484 XQRWVVSMZKGEBO-HSZRJFAPSA-N 375.468 5.636 0 30 GKAC Clc1cccc(Cl)c1C=Cc1nc2ccccc2n1Cc1ccccc1 2265276522 UGGAHRAQQWTWGW-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC Cc1cccn2c(C=NOC(=O)c3cccs3)c(-c3ccc(Cl)cc3)nc12 254628301 OLGCZCAQTPBRIY-UHFFFAOYSA-N 395.871 5.216 0 30 GKAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)C 143885067 CQRQBKDKLRADER-LZFGCZBJSA-N 384.585 7.662 0 30 GKAC Cc1cccc(CON=Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 254364833 SJRTZWLBIYLPGL-UHFFFAOYSA-N 375.859 5.514 0 30 GKAC COc1ccc(Br)c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 1047057 URWIEECWOUOLGP-UHFFFAOYSA-N 399.166 5.194 0 30 GKAC Sc1nnc(CSCc2cccc3ccccc23)n1-c1ccccc1Cl 4336254 NFWIRQQDUSXEHW-UHFFFAOYSA-N 397.956 5.796 0 30 GKAC CC(C)n1c(SCC(=O)Nc2ccccc2Cl)nc2cc(Cl)ccc21 1030820 UWQBMEOHTGZZHQ-UHFFFAOYSA-N 394.327 5.655 0 30 GKAC Clc1ccc(-c2csc(Sc3nc4cc(Cl)ccc4s3)n2)cc1 4395062 ITVMOMJWMOJNFZ-UHFFFAOYSA-N 395.361 6.878 0 30 GKAC CCCCC[C@@H](C(=O)O)N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 226787417 YPLZSXFEWOLCFY-QFIPXVFZSA-N 395.499 5.291 0 30 GKAC Oc1ccc(O)c([C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1C1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 256764198 LRUURYXTKSHHJY-NWRAJEPYSA-N 378.556 6.177 0 30 GKAC Clc1cccc(Cl)c1Cn1c(C=Cc2ccccc2)nc2ccccc21 2265276509 PKRGXMYJXASSLM-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC CSc1scc2c1-c1nc(SCc3ccc(Cl)cc3)ncc1CC2 2158815 NIBQENRZWGSWGP-UHFFFAOYSA-N 390.986 5.971 0 30 GKAC Cc1cc(Oc2nc3c(Cl)cc(Cl)cc3s2)c2cc(F)cc(F)c2n1 1042641 IONVCWUSSDSOCP-UHFFFAOYSA-N 397.233 6.530 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)O[C@@H](Cc1ccccc1)C(F)(F)F 1043527 ZOMGMNPURQWZPP-AWEZNQCLSA-N 393.283 5.307 0 30 GKAC CCCCN(C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 3138240 FVYIMPLVUUSCJL-INIZCTEOSA-N 379.331 5.194 0 30 GKAC CN1CCC[C@H](CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)C1 5699351 LNHXILGMJFWSQG-QFIPXVFZSA-N 398.550 5.194 0 30 GKAC FC(F)(F)c1oc(-c2ccccc2Cl)cc1-c1nc(-c2cccs2)no1 1047076 ANKSKLSIHYYQSK-UHFFFAOYSA-N 396.777 6.397 0 30 GKAC CO[C@H](C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1 33884505 LDNQDHITMCULEY-HXUWFJFHSA-N 390.523 6.681 0 30 GKAC O=C(Oc1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 95883991 TYBDFPFKJSUJKU-UHFFFAOYSA-N 383.241 5.247 0 30 GKAC Cc1csc2sc(-c3ccnc(SCC(=O)c4ccccc4)n3)c(C)c12 1038265 SVHOBRGPVLGEEE-UHFFFAOYSA-N 396.562 6.012 0 30 GKAC O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1)c1ccccc1 1029798 MKRXGMKTECYPAM-UHFFFAOYSA-N 396.412 5.520 0 30 GKAC O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2cccc3ccccc23)CC1 4299580 PGALTIGEKOLZJF-UHFFFAOYSA-N 393.918 5.233 0 30 GKAC O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1C1CCCCCCC1 5133723 BUZJUKRHYPZXHT-UHFFFAOYSA-N 395.113 6.009 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCCC1 1034016 WGNDXQADVBGKBI-UHFFFAOYSA-N 379.382 5.220 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1ccnc(C#N)c1 201054631 LBCAIMXKJYLXDH-UHFFFAOYSA-N 393.163 5.009 0 30 GKAC FC(F)(F)c1cc(Cl)c2ncc(-c3ccc(Br)s3)nc2c1 1043288 DZNRYSGYVQIWNN-UHFFFAOYSA-N 393.615 5.793 0 30 GKAC Brc1ccccc1-c1c(Br)cccc1Br 90550307 KGVYWUFWUAWULV-UHFFFAOYSA-N 390.900 5.641 0 30 GKAC CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12 4157775 PFRRUARYDXEQGJ-UHFFFAOYSA-N 378.701 5.628 0 30 GKAC CC(=O)Nc1cccc(N(CCCc2ccccc2)CCCc2ccccc2)c1 33610809 RGTILWBSOZQZFU-UHFFFAOYSA-N 386.539 5.717 0 30 GKAC O=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1 2265279028 ZYTCCVULHXRVLS-UHFFFAOYSA-N 393.273 5.863 0 30 GKAC Clc1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN32)cc1Cl 19331827 NCTAKURMVKIVDE-RXVVDRJESA-N 375.343 5.752 0 30 GKAC FC(F)(F)c1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20443484 BBLHFNQYGNUTNT-UHFFFAOYSA-N 397.444 5.012 0 30 GKAC O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1034128 WQSSVLLOJJGYJJ-UHFFFAOYSA-N 396.255 5.360 0 30 GKAC CCCCCC[C@@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5512360 NBWODOKZOKFQJY-NEPJUHHUSA-N 381.727 6.316 0 30 GKAC CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2cccc3ccccc23)cc1 4336331 SGSPXDHGKKAHSU-UHFFFAOYSA-N 396.490 6.577 0 30 GKAC Fc1cccc(Cl)c1CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 4391761 IASIHGVRBWDYNA-UHFFFAOYSA-N 388.682 5.863 0 30 GKAC Cc1cc(C2CCCC2)c(O)c(Cc2c(C)c(C)cc(C3CCCC3)c2O)c1C 142213274 ODSONVOAQPNSEB-UHFFFAOYSA-N 392.583 7.237 0 30 GKAC COc1ccc(-c2cn3cccc(OCc4ccc(Cl)c(Cl)c4)c3n2)cc1 1033587 OLPJYYXXMAEHPI-UHFFFAOYSA-N 399.277 5.896 0 30 GKAC CC1(C)OC[C@H](CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)O1 5455008 DVLUIQKNFOKCIV-RXMQYKEDSA-N 396.550 6.197 0 30 GKAC Cc1ccc(NC(=O)c2noc(C)c2-c2csc(-c3ccccc3)n2)cc1 1047759 DYCMVAHXLOWJQM-UHFFFAOYSA-N 375.453 5.334 0 30 GKAC Cc1cc(Oc2nc3c(Cl)cc(Cl)cc3s2)c2cc(Cl)ccc2n1 2157283 ALQXJCLXVUQDAF-UHFFFAOYSA-N 395.698 6.905 0 30 GKAC CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)CO[C@]4(O)C[C@@]3(C)O 85552371 IBUCSLMTZXQXRS-SHCZNAKKSA-N 386.576 5.004 0 30 GKAC CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 299803314 HYEPNQUMDGDLRJ-PMYXBUSHSA-N 398.719 9.198 0 30 GKAC C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(Cl)cc1Cl 3131788 XHIHEXGBFUFHSJ-QMMMGPOBSA-N 380.054 5.673 0 30 GKAC O=C(NCCSCc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 4390623 KBAURVZPQXDYNA-UHFFFAOYSA-N 389.735 5.702 0 30 GKAC CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3=O 96346873 AYNFEPVYJBGXLS-MSSQHCQQSA-N 396.615 6.408 0 30 GKAC Fc1ccc(-c2[nH]c(-c3ccccc3Br)nc2-c2ccncc2)cc1 3952166 COVWDRBCMJOSQM-UHFFFAOYSA-N 394.247 5.707 0 30 GKAC CC(C)Sc1nc(NCc2ccccc2)c2c3c(sc2n1)C[C@@H](C)CC3 4334751 TXLNVLARSVMCDJ-AWEZNQCLSA-N 383.586 5.929 0 30 GKAC COc1cc([N+](=O)[O-])cc2c1S[C@@]1(C=C2)N(C)c2ccc(C)cc2C1(C)C 223773329 XEDANNWCHRTINX-OAQYLSRUSA-N 382.485 5.155 0 30 GKAC O=C(Nc1ccccc1)OCc1cccc(COC(=O)Nc2ccccc2)c1F 1024137 WMNFYFDWDWQKFK-UHFFFAOYSA-N 394.402 5.323 0 30 GKAC CC(C)=CC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F 1024931 KDNQOLJQQITCOI-UHFFFAOYSA-N 387.760 6.195 0 30 GKAC FC(F)(F)c1cnc(COc2ccc(Oc3ccccc3)cc2)c(Cl)c1 1028211 AUBBTIQRQCHHHT-UHFFFAOYSA-N 379.765 6.125 0 30 GKAC CCCCCCCCCCC[C@H](O)[C@H](CCCCCCCCCC)C(=O)O 111903060 NRUVALJAGRJLKU-GOTSBHOMSA-N 384.645 7.500 0 30 GKAC CCOC(=S)SCc1ccc(C(=O)Oc2ccc(F)cc2Cl)cc1 2147901 ZIJSFVLUSFWUDS-UHFFFAOYSA-N 384.881 5.253 0 30 GKAC Fc1cccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)c1 4390748 XJQJVLFFVZMVKB-UHFFFAOYSA-N 392.204 6.942 0 30 GKAC CCOC(=O)c1cnc2c(F)cc(F)cc2c1Sc1ccc(Cl)cc1 1037902 IAEVFQGCYWFPHR-UHFFFAOYSA-N 379.815 5.494 0 30 GKAC Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 4382181 IXGJWKMZANABIA-HXUWFJFHSA-N 376.843 5.424 0 30 GKAC COc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccc(C(C)C)cc2)cc1 3119104 CAALFDGIYOXDLM-RUZDIDTESA-N 390.548 6.925 0 30 GKAC Cc1ccc(C=Cc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1 2265276931 WMAWUEVFBCPWKI-UHFFFAOYSA-N 392.424 6.582 0 30 GKAC O=C(Oc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)s1 3083168 HMOMVIJABVNTIR-UHFFFAOYSA-N 383.683 6.595 0 30 GKAC CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)N[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1)C2 2265351481 BXLHQOQNCKZJHN-AIBQHXCESA-N 399.531 5.096 0 30 GKAC O=C(CC(CC(=O)c1ccccc1)c1cccc2ccccc12)c1ccccc1 1045035 PEWLTDUUFIBEBG-UHFFFAOYSA-N 378.471 6.469 0 30 GKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343836 UIHTYLURQRTVDO-CVDCTZTESA-N 375.924 6.870 0 30 GKAC Cc1c(-c2ccccc2)c(=O)oc2c(Br)cc(Br)cc12 90548681 QVRYSTBQGBGQPV-UHFFFAOYSA-N 394.062 5.293 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 2265351375 GLATUUHMBGUZCT-CLJHMYPUSA-N 386.664 7.389 0 30 GKAC O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 1035637 HFXMXVKBGKENEC-FYYLOGMGSA-N 388.417 5.129 0 30 GKAC COc1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)c1 1046467 GMVBWONMEQSXRN-UHFFFAOYSA-N 394.271 5.257 0 30 GKAC CCCSc1ncccc1C(=O)Nc1cc(C(C)(C)C)sc1C(C)=O 4334895 QUZFLMDWNYOBRV-UHFFFAOYSA-N 376.547 5.398 0 30 GKAC CC(C)(c1ccc([C@@H]2CCCC[C@@H]2O)cc1)c1ccc([C@@H]2CCCC[C@H]2O)cc1 200266135 JJHFVWICUOOOQM-ASDGIDEWSA-N 392.583 6.050 0 30 GKAC CCCc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1 1034296 HEXRDGSYGOEREE-UHFFFAOYSA-N 388.515 5.067 0 30 GKAC O=C1C(=NNc2ccc(Cl)c(Cl)c2)c2ccccc2N1c1ccccc1 254570627 JJOPEZGJGBWELB-UHFFFAOYSA-N 382.250 5.488 0 30 GKAC CC[C@H](c1ccc(O)cc1)[C@](CC)(OCCN(CC)CC)c1ccc(O)cc1 141128435 WMPPXHLMLSAGGF-DNQXCXABSA-N 385.548 5.255 0 30 GKAC O=C(Nc1cccc(Cl)c1)Nc1sccc1-c1nc2ccccc2s1 1035201 XCQJCMFAGNPYPX-UHFFFAOYSA-N 385.901 6.322 0 30 GKAC O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(Cl)cc1 1043594 MILQOTXDVPKMPA-UHFFFAOYSA-N 394.574 5.253 0 30 GKAC CCOC(=O)c1c(N)sc2c1C[C@@H](c1ccccc1)S[C@H]2c1ccccc1 3640341 OXRBANIADQQLEL-HKUYNNGSSA-N 395.549 5.627 0 30 GKAC Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1cccc(Cl)c1Cl 1048104 PFVXWWCWBYKQOF-UHFFFAOYSA-N 396.661 6.254 0 30 GKAC CCCCC[C@H]1C(=O)C(=Cc2ccc(Br)cc2)C[C@H]1CC(=O)O 4110274 ITQIFTCSKNMRIM-WMLDXEAASA-N 379.294 5.093 0 30 GKAC O=C(Nc1ccccc1)O[C@@H]1C(=Cc2c(F)cccc2Cl)N2CCC1CC2 2265276333 WDBVTUQTZYATPT-FQEVSTJZSA-N 386.854 5.163 0 30 GKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 1037047 SKSUFAVLACTAOV-HTAPYJJXSA-N 377.896 6.316 0 30 GKAC CC(C)CCn1cc(CCNC(=O)Cn2ccc3ccccc32)c2ccccc21 888088258 BHBWSJHNNJHISD-UHFFFAOYSA-N 387.527 5.001 0 30 GKAC FC(F)(F)c1cnc(C=Cc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 2265278793 KTEYVJKEJZYMFK-UHFFFAOYSA-N 387.110 5.991 0 30 GKAC COc1ccc(Oc2cccc3c2C(=O)C(=CN(C)C)[C@@H]3c2ccccc2)cc1 8664783 QJTRKHPSAFINCA-HSZRJFAPSA-N 385.463 5.261 0 30 GKAC O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1024006 WJCHZNILCUEKGG-UHFFFAOYSA-N 377.271 5.120 0 30 GKAC O=C(NC(Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 3138045 HDMBBZVCMZXBAF-UHFFFAOYSA-N 396.718 5.003 0 30 GKAC CC(C)Nc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2Cl)cn1 20458649 PWSLBFVIGNZHBV-UHFFFAOYSA-N 392.208 5.480 0 30 GKAC CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 96326963 SWSAVZHOUMPGCF-FYVXYBBASA-N 380.576 5.540 0 30 GKAC CC[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1 195766364 UPUDOJQVZDLESI-UHFFFAOYSA-N 397.235 7.458 0 30 GKAC Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)c3ccccc3)c(C)c12 4394671 XTYTYLOVGHJMKG-UHFFFAOYSA-N 378.884 5.860 0 30 GKAC CCCCCCCCCCCCCCCC/C=C/CC[C@@H]1CC(=O)OC1=O 238790958 ZUAYWYFJJXVSCT-CRGRJFMMSA-N 378.597 7.284 0 30 GKAC Cc1cc(C)c(CSCCNC(=O)Nc2cccc(Cl)c2C)c(C)c1 4390611 HUNKFWVLYYJWQR-UHFFFAOYSA-N 376.953 5.629 0 30 GKAC O=C(c1cccs1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl 1033630 OXAUASONIPUJSL-UHFFFAOYSA-N 377.296 5.293 0 30 GKAC O=C(NC(=O)c1ccccc1Cl)OCc1cccc(Oc2ccccc2)c1 1048938 YPYFAXUAZOGBFN-UHFFFAOYSA-N 381.815 5.199 0 30 GKAC CC(C)N(CCCN1C[C@H](c2ccc(Cl)cc2)CCc2ccccc21)C(C)C 5314585 PVTZHDYDAGYCAX-HSZRJFAPSA-N 399.022 6.385 0 30 GKAC COc1cc(OCc2ccccc2)ccc1-c1ccc(N2[C@H](C)CC[C@H]2C)cn1 263584386 RKEVHWZKTBTHNY-RTBURBONSA-N 388.511 5.713 0 30 GKAC Clc1ccccc1N/C=C\C1=NN=N[C@@H]1c1ccc(Br)cc1 13466797 JQDGRGVKFXJHGE-ZBTGYSDGSA-N 375.657 5.591 0 30 GKAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1cnc2ccccc21 26393493 PAFKTGFSEFKSQG-UOQKLQBTSA-N 388.555 5.811 0 30 GKAC biogenic C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C(Cl)Cl 118912785 FDEHPBNJFZBCBX-GQDVPIKJSA-N 383.359 5.507 0 30 GKAC Cc1cc(Oc2ccc(C(F)(F)F)cc2NS(C)(=O)=O)cc(C)c1Cl 1036289 SRULVQOVZCAERZ-UHFFFAOYSA-N 393.814 5.139 0 30 GKAC COC(=O)c1scc2c(SCc3ccccc3)cc(C(F)(F)F)nc12 1039350 LOOIVNJNRGOJRX-UHFFFAOYSA-N 383.416 5.394 0 30 GKAC CCCCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)OCC)C(=O)O 142016822 OVVSAGZUERWKOI-WUKBZCGHSA-N 396.612 7.068 0 30 GKAC CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)N[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1)C2 2265351483 BXLHQOQNCKZJHN-JKNYOYKWSA-N 399.531 5.096 0 30 GKAC CCCc1c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)cnn1-c1ccccc1 3120085 FNAGGZVXVFEVCB-UHFFFAOYSA-N 386.499 5.839 0 30 GKAC FC(F)(F)Oc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1 4307229 YKTCPHBPLRFVHF-UHFFFAOYSA-N 387.386 6.001 0 30 GKAC CC/C=C/CC1=C(C)C(n2ccc3ccccc32)(n2ccc3ccccc32)CC1 38645310 VLBFAFALCBOIEQ-SNAWJCMRSA-N 380.535 7.264 0 30 GKAC CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)sc2c1OCC 4337949 AOQDHUICPHAZJX-UHFFFAOYSA-N 395.402 5.558 0 30 GKAC CSC1=N/C(=C\Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Cl 6187564 ZNZMRFFTUKAIRE-YBEGLDIGSA-N 392.311 5.008 0 30 GKAC CCOC(=O)c1cc(C)ccc1NC(=S)Nc1cc(Cl)ccc1Cl 1026755 YZQQOJFOAWEKTR-UHFFFAOYSA-N 383.300 5.287 0 30 GKAC FC(F)(F)c1ccc2[nH]c(SCc3ccc(Br)cc3)nc2c1 1040751 IUWFLTOEAWZRNH-UHFFFAOYSA-N 387.224 5.637 0 30 GKAC CCc1cc2c(cc1-c1csc(-c3ccc(F)cc3)n1)C(C)(C)CCC2(C)C 4390524 BGZUSISZBCDZNU-UHFFFAOYSA-N 393.571 7.528 0 30 GKAC CCCCCCCC/C=C\CCCCCCCCOC(=O)C[C@H](O)C(=O)O 143964437 FRDGWAZYZCCRPJ-QJRAZLAKSA-N 384.557 5.403 0 30 GKAC FC(F)(F)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 4389096 CGGHDIJVDHCOOT-AVRDEDQJSA-N 395.449 6.846 0 30 GKAC CCSC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl 254790137 FSRHEKWPRNGCBY-UHFFFAOYSA-N 384.719 6.260 0 30 GKAC O=C(Nc1ccc(Cl)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1 1047472 VIGGMGGUPKOSES-UHFFFAOYSA-N 397.714 5.946 0 30 GKAC COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(I)=CC[C@H]12 97975097 UPLFZZINEVIMGH-FAJBIJEISA-N 394.296 5.480 0 30 GKAC CC(C)(C)N(Br)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585658125 FZSFGYIJVDYMPM-UHFFFAOYSA-N 392.137 5.275 0 30 GKAC CCCC[C@H]1CCCCCCc2cc1[nH]c2/C=C1\N=C(c2ccc[nH]2)C=C1OC 604936631 PCTHMTZCYIAHJA-WSLHGYQHSA-N 391.559 6.497 0 30 GKAC O=C(C[C@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1ccc(F)cc1 4371395 VNNKXHKPVNCETH-NRFANRHFSA-N 398.430 5.769 0 30 GKAC CCCCCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 4394002 ALNKTGWZCVNRRY-UHFFFAOYSA-N 399.947 5.833 0 30 GKAC CN(C)CC[C@@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1 5957963 JDQWJVUVMKPZLU-XMMPIXPASA-N 399.490 5.532 0 30 GKAC in-man CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 100207266 LJWUFDXBABOATK-PMACEKPBSA-N 381.859 5.368 0 30 GKAC COc1c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)csc1Cl 1033494 CLTOBKBFQLJBDI-UHFFFAOYSA-N 386.832 5.064 0 30 GKAC CCOC(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CCCC2=O 1037774 MLVRRFCMLYGHRM-UHFFFAOYSA-N 380.918 5.390 0 30 GKAC CC[C@@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 1033156 SRBQLCOQPULAET-OAHLLOKOSA-N 375.312 5.857 0 30 GKAC Cc1cccc(C2=NN(c3ccccc3)[C@H](c3c(Cl)cccc3Cl)C2)c1 4301200 XXISKTFGDLFYCB-NRFANRHFSA-N 381.306 6.658 0 30 GKAC CCCCc1ccc(NC(=S)N2CCC(c3ccccc3OC)CC2)cc1 4336156 IRXFVCSWBONCHF-UHFFFAOYSA-N 382.573 5.614 0 30 GKAC CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)sc2c3ccccc3ccc21 34000883 DJVBEEMAEMXEMW-UHFFFAOYSA-N 385.556 6.155 0 30 GKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1noc2ccccc12 1042713 OHDDBFKNYWJCJJ-UHFFFAOYSA-N 389.194 5.317 0 30 GKAC CCCCc1ccc(NC(=O)CSc2cccc(Cl)c2Cl)c(C)c1 3137696 VQCDVLWQGUUJOX-UHFFFAOYSA-N 382.356 6.375 0 30 GKAC CC(C)(C)c1cs/c(=N/c2ccccn2)n1-c1ccc(Cl)cc1Cl 2162456 IYRMYSYSXXWZOD-OQKWZONESA-N 378.328 5.771 0 30 GKAC Cc1nc(-c2cc(Cl)cc(Cl)c2)[nH]c(=O)c1Oc1ccc(Cl)cc1 5176608 WIKHIEAECGKWJI-UHFFFAOYSA-N 381.646 5.498 0 30 GKAC O=C1C(=NNc2cc(Cl)ccc2Cl)c2ccccc2N1c1ccccc1 254702430 ZDFFTLGLNOMTTD-UHFFFAOYSA-N 382.250 5.488 0 30 GKAC Clc1ccc(OCO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33866262 MNSWSOHVTBHGEF-GOSISDBHSA-N 397.689 5.638 0 30 GKAC CCCCCc1ccc(C(=O)CSc2nccc(-c3cccs3)n2)cc1 4324972 SBNROEQJDWEUSU-UHFFFAOYSA-N 382.554 5.913 0 30 GKAC O=C(CSc1cccs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1037679 QBRMPBDGLXAFJG-UHFFFAOYSA-N 385.354 5.517 0 30 GKAC Clc1ccc(CSc2nccc(-c3csc(-c4ccccc4)n3)n2)cc1 1047791 CEKQVDNEGLDQOD-UHFFFAOYSA-N 395.940 6.213 0 30 GKAC CCCc1ccc(N2C(=O)C[C@H](Sc3ccc4ccccc4c3)C2=O)cc1 100394221 SOVSAKRHQCZIRW-NRFANRHFSA-N 375.493 5.217 0 30 GKAC COc1cc([N+](=O)[O-])cc2c1S[C@]1(C=C2)N(C)c2ccc(C)cc2C1(C)C 223773381 XEDANNWCHRTINX-NRFANRHFSA-N 382.485 5.155 0 30 GKAC CC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 1042762 AIKMFQNRDGNXKZ-UHFFFAOYSA-N 389.282 6.300 0 30 GKAC Cc1cc(C)c(Cn2nc(C(C)(C)C)cc2C(=O)NCc2cccs2)c(C)c1 1035951 HFYKMNWNGZTDIX-UHFFFAOYSA-N 395.572 5.146 0 30 GKAC Cc1cc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c(Cl)cc1Cl 1042659 IYNUFHGHGPJQAK-UHFFFAOYSA-N 384.111 5.583 0 30 GKAC CC(C)(C)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 1045955 DQXITSXROGUCGJ-UHFFFAOYSA-N 392.735 5.745 0 30 GKAC Cc1cc(OC(=O)[C@@H](c2ccccc2)C2CCCC2)c(Cl)c(C)c1Cl 2161170 AXWKOLNXHJVKEE-SFHVURJKSA-N 377.311 6.490 0 30 GKAC O=C1O[C@@H](Nc2ccccc2SCc2ccccc2Cl)c2ccccc21 3185778 ZJOATHLJOLIESV-HXUWFJFHSA-N 381.884 5.913 0 30 GKAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccco1 11616516 ICNIVTHKZKRHPD-YNFNDHOQSA-N 396.527 5.266 0 30 GKAC in-man CC(C)(C)n1c(-c2ccc(Cl)cc2)csc1=NCc1ccc(Cl)cc1 254815916 LKZJXMKLIKFSSB-UHFFFAOYSA-N 391.367 6.379 0 30 GKAC CSc1scc(-c2cccs2)c1CNC(=O)c1ccccc1Cl 1037612 BITPIOJTOPZSTP-UHFFFAOYSA-N 379.959 5.782 0 30 GKAC Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 1047678 TXSBOXWHABKPHR-UHFFFAOYSA-N 387.386 5.854 0 30 GKAC CCCCC[C@@H]1C(=O)C(=Cc2ccc(Br)cc2)C[C@@H]1CC(=O)O 4110277 ITQIFTCSKNMRIM-PBHICJAKSA-N 379.294 5.093 0 30 GKAC Cc1cc(Cc2cc(C)c(C3CCCCC3)cc2O)c(O)cc1C1CCCCC1 145463781 CSYXLHVZIABNNQ-UHFFFAOYSA-N 392.583 7.401 0 30 GKAC Fc1ccccc1C=Cc1nc2c(Oc3ccccc3)cccc2c2c1CCS2 2265279384 MZTMGGJAVFWMKH-UHFFFAOYSA-N 399.490 6.985 0 30 GKAC CCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 248261901 WJOIKOQBYBIHDI-AQYVVDRMSA-N 378.556 7.322 0 30 GKAC CC1=C(O)[C@@H](C/C(C)=C/CC[C@@H](C)/C=C/C=C(\C)CCCc2ccoc2)OC1=O 101578499 UXFNAATUJSSAHF-FAFYUVIOSA-N 398.543 6.615 0 30 GKAC C[C@@H](NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 1041777 HGXKXDKNVTYHMG-OAHLLOKOSA-N 382.916 6.180 0 30 GKAC CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2c3cccc4cccc(c34)[C@H]12 4334985 SYZVGYQOFKBEKX-CTNGQTDRSA-N 376.843 5.071 0 30 GKAC CCCC[Sn](CCCC)(CCCC)C(Cl)=C(F)F 196060822 NGQIDMYSUKWNSS-UHFFFAOYSA-N 387.530 6.722 0 30 GKAC CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 254444570 QCYNMWWZOLJLDN-UHFFFAOYSA-N 392.164 5.380 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351817 UIMGHSAOLFTOBF-AALSTEHBSA-N 386.664 7.389 0 30 GKAC O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1ccc(Cl)cc1Cl 1039754 LTCLJANQZPQMTD-UHFFFAOYSA-N 392.229 5.651 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 256283861 CNGURAIWUJEFTA-CULSIULUSA-N 386.664 7.389 0 30 GKAC Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1-c1ccc(Cl)cc1 3120570 SEHWPBYSBYFZHD-UHFFFAOYSA-N 394.302 5.883 0 30 GKAC Clc1ccc(-c2nc(N3CCCCC3)c(Cl)c(N3CCCCC3)n2)cc1 3170143 TUTARRSJTXFYCR-UHFFFAOYSA-N 391.346 5.431 0 30 GKAC Nc1c(Cl)cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl 4299977 XFOAKZMVEDYTSH-UHFFFAOYSA-N 384.477 5.788 0 30 GKAC CN1CCC(O[C@@H]2Oc3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 223697597 GPISSLVMBPUFLV-LJQANCHMSA-N 395.446 5.358 0 30 GKAC COc1cccc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1 1034035 SWUHZLJCIGITHS-UHFFFAOYSA-N 376.456 5.432 0 30 GKAC CC(C)(C)c1cs/c(=N/c2ccccn2)n1-c1cccc(C(F)(F)F)c1 2162438 YSJMLMWTKDVTHG-JJIBRWJFSA-N 377.435 5.483 0 30 GKAC FC(F)(F)c1ccnc(-c2ccc(C=NOCc3ccccc3Cl)cc2)c1 263630465 WKZWVIJTZPIPFA-UHFFFAOYSA-N 390.792 5.972 0 30 GKAC Cc1cc(=O)[nH]c(SCc2ccc(/C=C/c3c(F)cccc3Cl)cc2)n1 5176522 RBHFSRKEDJGCIL-MDZDMXLPSA-N 386.879 5.334 0 30 GKAC CN1CCN(c2ccc3c(c2)SCc2ccccc2[C@H]3c2ccccc2)CC1 4115697 BVXCCSFQDANQEN-RUZDIDTESA-N 386.564 5.224 0 30 GKAC C[C@H](CCOC(=O)CCCCC(=O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 5734987 ISQGOXKDLGVOKQ-BGYRXZFFSA-N 398.628 6.558 0 30 GKAC O=C(NCc1sccc1COc1ccc(Cl)cc1)Nc1ccccc1F 1039562 GYIFXBGMBRJZQE-UHFFFAOYSA-N 390.867 5.441 0 30 GKAC O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1c(F)cccc1F 2161642 JUDGSKGXRBXQAA-UHFFFAOYSA-N 394.204 6.316 0 30 GKAC Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2F)cc1 3045888 POFIZXNOWXSAPP-UHFFFAOYSA-N 379.887 7.245 0 30 GKAC C/C(=C/c1ccc(C(=O)O)cc1N=[N+]=[N-])c1ccc2c(c1)C(C)(C)CCC2(C)C 96347504 BFJIRSSLRJYNHN-QINSGFPZSA-N 389.499 7.236 0 30 GKAC C[C@H](C(=O)O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 396562503 LBHWHSFAKSZFLP-HNNXBMFYSA-N 387.435 5.236 0 30 GKAC Clc1ccc(CON=Cc2cccnc2Sc2ccccc2)c(Cl)c1 3105180 LHVNIODOQFRJJR-UHFFFAOYSA-N 389.307 6.090 0 30 GKAC O=C(C[C@@H](Sc1ccccc1C(=O)O)c1ccc(F)cc1)c1cccc(F)c1 4371392 NNQANFFNZRNIEW-OAQYLSRUSA-N 398.430 5.769 0 30 GKAC Fc1ccc(C=Cc2nc3ccc(OC(F)(F)F)cc3c3c2CCS3)cc1 2265279377 LFDZKYHUANNPCC-UHFFFAOYSA-N 391.389 6.091 0 30 GKAC Cc1ccc(-c2csc(-c3ccc(Oc4ccc(Cl)cc4)nc3)n2)cc1 1035825 HBDZYLYDISXTED-UHFFFAOYSA-N 378.884 6.626 0 30 GKAC CC(C)n1c(SCc2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc21 4339211 LKFDLARKWQLDKG-UHFFFAOYSA-N 384.854 6.582 0 30 GKAC Cc1cc([C@@H]2[C@H](c3cc(C)c(O)c(C)c3)C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc(C)c1O 267327670 NTNHMKQNPOAEHC-VFSJVVQMSA-N 376.540 6.265 0 30 GKAC O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@H]2c1ccc(Cl)cc1 4343403 OAQHVOFDSXZHLQ-PMOQBDJRSA-N 388.854 5.645 0 30 GKAC CCCCCC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 13739855 SIMQICJOBGHLIZ-UHFFFAOYSA-N 389.520 6.532 0 30 GKAC CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 2265365073 YGPZWPHDULZYFR-SHYRXIFHSA-N 385.680 7.355 0 30 GKAC O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 1035038 MGKHTTSSBLEEAK-LJQANCHMSA-N 388.319 5.843 0 30 GKAC FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3cccs3)nn12 1040203 MBNYHEXNESETFK-UHFFFAOYSA-N 379.794 5.797 0 30 GKAC Cc1ccc(SC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 2151954 YPECPGMINVGWOS-UHFFFAOYSA-N 393.455 6.378 0 30 GKAC Cc1ccc(-c2csc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1 3046396 IUGFZTLUNHSATF-UHFFFAOYSA-N 384.863 6.541 0 30 GKAC Clc1ccc(OCO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33866261 MNSWSOHVTBHGEF-SFHVURJKSA-N 397.689 5.638 0 30 GKAC COc1ccc(NC(=O)C=Cc2cccc(Oc3ccccc3)c2)c(OC)c1 2265279613 GOEXZGBZBRDOOT-UHFFFAOYSA-N 375.424 5.148 0 30 GKAC Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 33413637 SCGGUFVVJWQGPP-UHFFFAOYSA-N 387.295 5.552 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@@]21C 118935941 DXZKLKLWYDXLPZ-UXIWKSIVSA-N 386.664 8.160 0 30 GKAC FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)c2cccc(Cl)c2n1 20443811 BDKPEFNBMNDHMU-UHFFFAOYSA-N 391.824 5.234 0 30 GKAC Oc1ccc(O)c([C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 256764206 LRUURYXTKSHHJY-TZANYNITSA-N 378.556 6.177 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 885018340 HVYWMOMLDIMFJA-CDEDQEMUSA-N 386.664 7.389 0 30 GKAC CC1CCN(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 4322686 XKUXJIRHBZCWOK-UHFFFAOYSA-N 393.331 5.006 0 30 GKAC CC(C)Cc1ccc(C=CC(=O)NCc2ccc(Oc3ccccc3)cc2)cc1 2265279586 BMXIQQYTTYOTQX-UHFFFAOYSA-N 385.507 6.007 0 30 GKAC O=Cc1cccc(-c2cc(-c3cccc(C=O)c3)cc(-c3cccc(C=O)c3)c2)c1 90669348 JKEVWAQYDZUIMU-UHFFFAOYSA-N 390.438 6.125 0 30 GKAC O=C(C=Cc1ccccc1)N(Cc1ccccc1)c1ccccc1Br 2265279835 HARMXLPXKGAMQV-UHFFFAOYSA-N 392.296 5.696 0 30 GKAC Cc1c(Cl)cccc1NC(=S)N1CCCC[C@@H]1CCN1CCCCC1 4299749 XZZYOPNZFMQEMM-QGZVFWFLSA-N 380.001 5.076 0 30 GKAC O=C1C(=NOCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1 254692878 ZVTAUDDGQVRBFQ-UHFFFAOYSA-N 380.806 5.078 0 30 GKAC COc1c(Cl)cc(Cl)c(OC)c1C(=O)Nc1cccc(OC(C)C)c1 1034943 MBVSUIZGNOWUNQ-UHFFFAOYSA-N 384.259 5.050 0 30 GKAC CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2557428 UIMGHSAOLFTOBF-SHYRXIFHSA-N 386.664 7.389 0 30 GKAC biogenic CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1 4866195 HVCNNTAUBZIYCG-LLVKDONJSA-N 377.849 5.072 0 30 GKAC O=C1Nc2ccccc2C1=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 2265276326 UQQUVWRUBQFMFA-UHFFFAOYSA-N 381.353 5.990 0 30 GKAC O=C(Nc1ccc(Cl)cc1)c1cnc(NC2CCCCC2)cc1C(F)(F)F 20458652 OWQMPDMACCKUBD-UHFFFAOYSA-N 397.828 5.751 0 30 GKAC O=C1NN(c2ccccc2)C(SCc2ccccc2Cl)=Nc2ccccc21 3128957 ZKUCBXPDCBOPKM-UHFFFAOYSA-N 393.899 5.426 0 30 GKAC CC(C)CCCCCCCCCCNCCCCCCCCCCC(C)C 5758129 YOFPVMWVLDSWKR-UHFFFAOYSA-N 381.733 8.910 0 30 GKAC CC(=NOCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 254381671 ZAHYVLXCWMGIQY-UHFFFAOYSA-N 397.828 5.295 0 30 GKAC Cc1ccc(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2C(C)C)cc1 1047631 DHFYGUHLQQMQSA-UHFFFAOYSA-N 392.446 5.919 0 30 GKAC Cc1noc(-c2ccccc2)c1NC(=O)NCc1csc(-c2ccccc2)n1 36048102 SZCMYXVVNSOEIY-UHFFFAOYSA-N 390.468 5.095 0 30 GKAC O=C(c1cccs1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1Cl 1035625 AFCOYDHPOLXTTO-DYESRHJHSA-N 392.911 5.565 0 30 GKAC CCN(CCN(C)C)c1ccc(/N=N/c2ccc([N+](C)(C)C)cc2Cl)cc1 38604840 YXLMUKQHQQXNON-WCWDXBQESA-N 388.967 5.340 0 30 GKAC CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 504040788 PKEPPDGGTSZLBL-DIXXULJJSA-N 384.648 7.309 0 30 GKAC biogenic COc1cc(C(F)(F)F)nc2ccc(C)c(NC(=O)Nc3ccccc3)c12 1039763 OUYDGPAKTFXUTI-UHFFFAOYSA-N 375.350 5.215 0 30 GKAC Cc1ccc(Sc2nc(C)nc(C)c2Oc2ccc(Cl)cc2Cl)cc1 2153992 RHFWDMYMMGCYSM-UHFFFAOYSA-N 391.323 6.652 0 30 GKAC Fc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc34)C2)cc1 4377315 MULGCLTWIPKEDZ-RUZDIDTESA-N 383.491 7.337 0 30 GKAC CN(C)C=C1C(=O)c2c(Oc3ccc(Cl)cc3)cccc2[C@H]1c1ccccc1 8663835 NNZGDVKPEFXOMU-JOCHJYFZSA-N 389.882 5.906 0 30 GKAC Cc1ccc(Cn2c(C=Cc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 2265276886 JRVVBHMXOWTEBN-UHFFFAOYSA-N 393.317 6.870 0 30 GKAC Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Sc1cccc(Cl)c1Cl 3078741 WEDMQNFMZSTXLQ-UHFFFAOYSA-N 398.698 6.543 0 30 GKAC FC(F)(F)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 4389094 CGGHDIJVDHCOOT-PGRDOPGGSA-N 395.449 6.846 0 30 GKAC Fc1cccc(OCc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 3045933 JRKVHCMHZDIPTQ-UHFFFAOYSA-N 377.242 6.291 0 30 GKAC FC(F)(F)C1CCN(c2ccc(-c3nc(-c4ccccc4)cs3)cn2)CC1 20230189 PZPLMSPVNLBZAR-UHFFFAOYSA-N 389.446 5.651 0 30 GKAC Cc1ccc(NC(=O)c2cccnc2Sc2cccc(C(F)(F)F)c2)cc1 1044545 AZWXVDAHSNVFLQ-UHFFFAOYSA-N 388.414 5.812 0 30 GKAC COc1ccc([C@H]2C[C@H]2C(C)=NOC(=O)c2c(Cl)cccc2Cl)cc1 4013476 XRJJONMYLWJZHS-LSDHHAIUSA-N 378.255 5.338 0 30 GKAC Cc1cc(C(c2cc(C)c(N)c(C)c2)c2c(Cl)cccc2Cl)cc(C)c1N 5160001 KCPYHDABININKD-UHFFFAOYSA-N 399.365 6.572 0 30 GKAC C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccccc3)cc1OC2(C)C 5735596 AEYFHRDJFXMZKJ-RTBURBONSA-N 390.567 7.263 0 30 GKAC CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)c1cccc(Cl)c1 16697263 IAXVTBRCESIBNV-GOSISDBHSA-N 389.879 5.039 0 30 GKAC Cc1c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)sc2ccc(Cl)cc12 1034196 GANPADKZUKFRKF-UHFFFAOYSA-N 376.890 5.145 0 30 GKAC CN(C)C(=O)n1c(SCc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1047267 FCXUOZGLVBTTEE-UHFFFAOYSA-N 394.544 5.065 0 30 GKAC O=C(O)[C@H](c1ccccc1-c1ccccc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 6116788 WZCPXDVHGSRSLT-UXHICEINSA-N 386.369 5.274 0 30 GKAC Cc1ccc(Sc2ccc(C=NOC(=O)c3ccccc3Cl)cn2)cc1 254395436 LZZVNNFWHAWLDL-UHFFFAOYSA-N 382.872 5.386 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351824 UIMGHSAOLFTOBF-ROJYRTSDSA-N 386.664 7.389 0 30 GKAC O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1F 2143974 VWJYBMSZXPLFTO-UHFFFAOYSA-N 380.218 5.283 0 30 GKAC Cc1oc(-c2ccc(Cl)cc2)cc1COC(=O)Nc1ccc(Cl)cc1 1046761 SPANJVYNXKVGFF-UHFFFAOYSA-N 376.239 6.311 0 30 GKAC O=C(Oc1ccc(Br)cc1C1SCCS1)c1cccs1 1324087 MWVDFOIAELRJLH-UHFFFAOYSA-N 387.345 5.208 0 30 GKAC Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 4382180 IXGJWKMZANABIA-FQEVSTJZSA-N 376.843 5.424 0 30 GKAC CC(=O)OC1(OC(C)=O)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C)CC[C@@H]32)C1 96328165 IAKYAKBMSSYNNB-RBZUOLAMSA-N 388.548 5.408 0 30 GKAC COc1cc(C(Sc2ccccc2)Sc2ccccc2)cc(OC)c1OC 2145009 FEVCOPFZDFNFKL-UHFFFAOYSA-N 398.549 6.296 0 30 GKAC FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3ccccc3)nc2n1 8578452 RYZSCNXGVLAKSA-UHFFFAOYSA-N 384.283 5.113 0 30 GKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2265351820 UIMGHSAOLFTOBF-KANCVCPSSA-N 386.664 7.389 0 30 GKAC C=C[C@@H]1CC[C@H](CC)P1c1ccccc1P1(=O)[C@@H](CC)CC[C@@H]1CC 106805144 HXKPZBKHFAATJW-QBAPXIRHSA-N 376.461 6.260 0 30 GKAC c1ccc(C(c2ccccc2)N2CC(Sc3nc4ccccc4s3)C2)cc1 59602185 MGCSJDRYDBYMDT-UHFFFAOYSA-N 388.561 5.862 0 30 GKAC CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504040791 PKEPPDGGTSZLBL-LLFZLOFHSA-N 384.648 7.309 0 30 GKAC biogenic Cc1c(C)c(C)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1C 4305804 CGQYLPOUGKMWDL-UHFFFAOYSA-N 389.383 6.878 0 30 GKAC O=C(O)[C@H](c1ccccc1-c1ccccc1)[C@H](O)c1ccc(C(F)(F)F)cc1 6116787 WZCPXDVHGSRSLT-WOJBJXKFSA-N 386.369 5.274 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 39274542 IANFNNPXOUVDGW-VBWRGJNHSA-N 388.680 7.469 0 30 GKAC CCCCCCOc1ccccc1NC(=O)OC1CCN(CCCC)CC1 5512242 RTOZFQIUCAVSHY-UHFFFAOYSA-N 376.541 5.459 0 30 GKAC Clc1ccc(SCCCN2CCN(c3cccc(Cl)c3)CC2)cc1 3129133 FTQUAVNUYAGVJH-UHFFFAOYSA-N 381.372 5.298 0 30 GKAC CC(C)(C)OC(=O)C(C)(C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 4336337 XZUNTENHKLVVCS-UHFFFAOYSA-N 395.524 6.221 0 30 GKAC COc1cc(C)cc(OC(C)=O)c1C/C=C(\C)CC/C=C(\C)CCC=C(C)C 33847002 WONLVFYKXMHSIQ-LCAIAVFMSA-N 384.560 6.891 0 30 GKAC C[C@@H](C(=O)O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 396562521 LBHWHSFAKSZFLP-OAHLLOKOSA-N 387.435 5.236 0 30 GKAC FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccccc2)cc1 20431984 YXZYTPILCOZOFZ-HXUWFJFHSA-N 389.442 5.794 0 30 GKAC Cc1ccc(I)cc1Cc1ccc(-c2ccccc2)s1 214495699 OHWKTPOIJKTZRB-UHFFFAOYSA-N 390.289 5.919 0 30 GKAC Cc1cc(C)c(CSCCNC(=O)Nc2cccc3ccccc23)c(C)c1 4390608 HCVZWWRRWURWBA-UHFFFAOYSA-N 378.541 5.820 0 30 GKAC CCC1C/C(=C\c2ccc(N=[N+]=[N-])cc2)C(=O)/C(=C/c2ccc(N=[N+]=[N-])cc2)C1 96341880 FGTHNRJXIKCBGC-JIBZRZDWSA-N 384.443 7.426 0 30 GKAC Cc1ccc(CN2C(=O)C(=NNc3ccc(Cl)cc3)c3ccccc32)cc1 254848703 LDVNHNVKWHVSIN-UHFFFAOYSA-N 375.859 5.011 0 30 GKAC CC1=C(C)[C@@H](C)C(C(C2=C(C)C(C)=C(C)[C@H]2C)C2=C(C)C(C)=C(C)[C@H]2C)=C1C 263583819 BGIKSKHWJSRIJQ-KJXAQDMKSA-N 376.628 8.510 0 30 GKAC Cc1cc(OCc2ccc(Br)cc2)cc2c1C(=O)CC(C)(C)O2 1043774 GZSLAXZTBVITCD-UHFFFAOYSA-N 375.262 5.080 0 30 GKAC COc1ccc(C2=NN(c3ccccc3)[C@@H](c3c(Cl)cccc3Cl)C2)cc1 4301197 PMVQEBNDPRAHAH-OAQYLSRUSA-N 397.305 6.358 0 30 GKAC Clc1cccc(Cl)c1[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 4376866 QMMUVEXCUXISAD-FQEVSTJZSA-N 384.331 7.351 0 30 GKAC C=Cc1ccccc1[C@@H](OC/C=C\c1ccccc1)OC/C=C/c1ccccc1 267331223 ZBXJEGXAEQBVJF-CORMGQNQSA-N 382.503 6.788 0 30 GKAC O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 1040730 MQJOOCROQBWZTA-UHFFFAOYSA-N 399.488 6.094 0 30 GKAC O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1 3129194 JXWFTKSCADYUAE-UHFFFAOYSA-N 382.699 6.628 0 30 GKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@@]21C 118935943 DXZKLKLWYDXLPZ-JDIFZLMISA-N 386.664 8.160 0 30 GKAC CC1(C)[C@@H]2C[C@H]([BH-]3[C@H]4CCC[C@@H]3CCC4)[C@@H](CCOCc3ccccc3)[C@H]1C2 2265340045 HUEIMRDBKQBEMV-PXRGULSGSA-N 379.417 6.981 0 30 GKAC CO[P@](=O)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1 2014279 MAKUYRKZFGSMMG-FQEVSTJZSA-N 396.004 5.300 0 30 GKAC FC(F)(F)Oc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 2159089 NFFSWNZTTCNXRQ-UHFFFAOYSA-N 375.133 5.609 0 30 GKAC CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2c3cccc4cccc(c34)[C@H]12 4334986 SYZVGYQOFKBEKX-TZIWHRDSSA-N 376.843 5.071 0 30 GKAC Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1O2 2569946 BSJDQMWAWFTDGD-UHFFFAOYSA-N 390.864 7.505 0 30 GKAC O=S(=O)(Cc1c(Cl)cccc1Cl)c1nc2cc(Cl)ccc2s1 4323882 ZHCVABKAJUOMPO-UHFFFAOYSA-N 392.716 5.230 0 30 GKAC FC(F)(F)c1ccnc(-c2ccc(C=NOCc3ccc(Cl)cc3)cc2)c1 254484721 HJHSRTAJBSNLTI-UHFFFAOYSA-N 390.792 5.972 0 30 GKAC CCN(C(=O)c1cnc(OC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl 1042952 OYMNUNVNKUUXRQ-UHFFFAOYSA-N 393.192 5.083 0 30 GKAC Cc1c(Cl)cc(Cc2cc(Cl)c(C)c(C(C)C)c2O)c(O)c1C(C)C 33805246 GHOQPLKDCJYBIC-UHFFFAOYSA-N 381.343 6.859 0 30 GKAC CCN(C(=O)c1cnc(NC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl 20458665 YGERPMQPGBGXBH-UHFFFAOYSA-N 392.208 5.116 0 30 GKAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 5383406 VEIABLNKNSOQQY-XNONYCQISA-N 392.967 5.303 0 30 GKAC CN(C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 13467311 PMGFTIDUJNLRSY-QJXQVQFTSA-N 397.603 5.613 0 30 GKAC FC(F)(F)c1ccccc1-c1nnc(-c2sc3ccccc3c2Cl)o1 4334342 UTPWOWSXTPPOFP-UHFFFAOYSA-N 380.778 6.291 0 30 GKAC C[C@]12ON(c3ccccc3)[C@H](c3ccccc3)[C@@]1(C)OC(=O)N2c1ccccc1 32234200 BMMZOWMHEFVJGH-JRFVFWCSSA-N 386.451 5.311 0 30 GKAC CCOc1ccc([C@@H](C)CCC[C@H]2CC[C@H](C3CCCCC3)CC2)c(F)c1F 1565503783 YXUJALQIVZKVND-ZJOUEHCJSA-N 392.574 8.024 0 30 GKAC Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 3045635 ZJQRGNFTLVZCEA-UHFFFAOYSA-N 382.315 7.451 0 30 GKAC CSC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 4698152 KFQQABPTZNOSLA-SXGWCWSVSA-N 377.296 5.096 0 30 GKAC CCCC[C@@H](CC)COC(=O)C1=C(C(=O)OC[C@H](CC)CCCC)CCCC1 5821776 ZVPBHZIVOWGPMT-WOJBJXKFSA-N 394.596 6.376 0 30 GKAC CCCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O 223561271 QQZZWLWHWXXPBP-VFNWGFHPSA-N 375.528 5.609 0 30 GKAC COc1cccc2c1CC[C@H](N(CCc1cccs1)CCc1cccs1)C2 953043733 PSBYKPIHUCBXMO-IBGZPJMESA-N 397.609 5.463 0 30 GKAC Cc1sc(C=O)cc1[C@H]1c2cc(Cl)ccc2CCN1C(=O)OC(C)(C)C 1857524161 ZZGNBOMUPCJILX-SFHVURJKSA-N 391.920 5.405 0 30 GKAC O=C(Nc1cccnc1Sc1ccccc1)[C@@H](c1ccccc1)C1CCCC1 4336335 ZFKWWPKJRACYTI-QFIPXVFZSA-N 388.536 6.145 0 30 GKAC CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccc2ccccc12 13464173 HDMWSXJZXAEOQY-DBTWGZIYSA-N 399.578 6.943 0 30 GKAC CSc1ss/c(=N\c2cccc(C(F)(F)F)c2)c1-c1ccccc1 2152484 UNKBSZFYTOZKPO-QNGOZBTKSA-N 383.485 6.450 0 30 GKAC O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 4323234 IKLDTDUMYDTMML-UHFFFAOYSA-N 391.355 5.879 0 30 GKAC Cc1ccc(CNc2nc(C)nc(C)c2Oc2ccc(Cl)cc2Cl)cc1 3046141 XOFDWUAJJONPTL-UHFFFAOYSA-N 388.298 6.113 0 30 GKAC O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1 3127582 DXVKCLUXZVAXTD-UHFFFAOYSA-N 398.816 5.158 0 30 GKAC Cc1ccc(-c2[nH]c(=O)nc(-c3ccc(Cl)cc3)c2Oc2ccccc2)cc1 32291041 DUCJIBRKQZDWJP-UHFFFAOYSA-N 388.854 5.858 0 30 GKAC Cc1cc(C(C)(C)C)c(O)c(Sc2c(C)c(C)cc(C(C)(C)C)c2O)c1C 141757281 VHPXGAUSWUFUPC-UHFFFAOYSA-N 386.601 7.078 0 30 GKAC Fc1cc(I)ccc1Nc1ccnc2cc(Cl)ccc12 1040361 SGYXYQQGWNUEIG-UHFFFAOYSA-N 398.606 5.376 0 30 GKAC COc1ccc2cc([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1 4377837 LSCIMGDUDACNGG-ZDUSSCGKSA-N 389.373 5.489 0 30 GKAC CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 215502715 GLATUUHMBGUZCT-BAPVDNHOSA-N 386.664 7.389 0 30 GKAC O=Cc1cc(Br)c(OCc2ccccc2)cc1OCc1ccccc1 116467721 BRNJOWIVZQCYEC-UHFFFAOYSA-N 397.268 5.420 0 30 GKAC O=C(Nc1cccc2ccccc12)[C@@H]1CC[C@H]1C(=O)Nc1cccc2ccccc12 1998539 GQMNVHUHWNUGCO-FGZHOGPDSA-N 394.474 5.596 0 30 GKAC FC(F)(F)c1cccc(NN=Cc2c[nH]c3ccc(Br)cc23)c1 254444466 ITSRDZFHXOKCKO-UHFFFAOYSA-N 382.183 5.395 0 30 GKAC CC(=O)OCc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1 1039006 CYPRSKDPDAOCFF-UHFFFAOYSA-N 377.465 5.153 0 30 GKAC N=c1scc(-c2ccccc2)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4307023 DTDLFOWKXXSVQQ-UHFFFAOYSA-N 388.336 5.723 0 30 GKAC Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1N1CCCCC1 1045568 MYBCRMXNCXJQBF-UHFFFAOYSA-N 395.890 5.546 0 30 GKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 1037053 JHIAVJNQHKCIOU-JTSKRJEESA-N 377.509 6.515 0 30 GKAC O=C(c1ccc(OC(F)(F)F)cc1)c1cc2cc(Cl)cc(Cl)c2o1 1043376 ILYUSEDHPAWFCA-UHFFFAOYSA-N 375.129 5.869 0 30 GKAC CCCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1 5647694 LNXXYKIYUVESET-UHFFFAOYSA-N 379.544 5.406 0 30 GKAC CCCc1c(NC(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1 1026461 JMIZIAKUBBDMRO-UHFFFAOYSA-N 389.286 5.776 0 30 GKAC CCCc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 4324550 ZJLDHBPGIFIPAL-UHFFFAOYSA-N 384.932 6.285 0 30 GKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 1037055 JHIAVJNQHKCIOU-HTAPYJJXSA-N 377.509 6.515 0 30 GKAC CCCCCCC(=O)OC/C=C(C)\C=C\C=C(C)/C=C/C1=C(C)CCCC1(C)C 223715770 QLFIHDFIMGLXEA-AZNTUNGCSA-N 398.631 8.032 0 30 GKAC CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2cccc(OCc3ccccc3)c2)C1 526059798 HYPNYEDYRKELIB-FQEVSTJZSA-N 395.499 5.095 0 30 GKAC Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C(=O)O 616568743 MFMCAXILZVCSJF-UHFFFAOYSA-N 387.435 5.363 0 30 GKAC CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 2265351378 GLATUUHMBGUZCT-WNAUFTLASA-N 386.664 7.389 0 30 GKAC CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@@H](C)c1ccccc1 3874192 RWIUTHWKQHRQNP-JHXITMJXSA-N 383.620 7.677 0 30 GKAC in-man c1ccc(C[n+]2cn(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 5482937 SCWKQFMGFKBVNV-UHFFFAOYSA-N 387.506 6.147 0 30 GKAC CN(C)c1ccc(Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@@]3(C)C(=O)CC[C@@H]23)cc1 13466824 ULYOBMCBSNBRSQ-QJXQVQFTSA-N 389.539 5.970 0 30 GKAC Cc1cccc2c1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2 1024763 CYVABWCUCJYDGE-UHFFFAOYSA-N 387.323 5.626 0 30 GKAC CCCCC[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 686791192 QVCLBNCSMJHLQS-DEOSSOPVSA-N 395.499 5.339 0 30 GKAC O=C(Nc1ccccc1)O[C@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1 1037859 YHRKFQVYDOJYTH-IBGZPJMESA-N 394.814 5.606 0 30 GKAC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1OC(F)(F)F 1047111 ABELGDNRCLCWPO-UHFFFAOYSA-N 395.764 6.059 0 30 GKAC Brc1ccc(OCc2ccccc2)c(C2C3CC4CC(C3)CC2C4)c1 71791754 USYFIKGHAJXZFA-UHFFFAOYSA-N 397.356 6.568 0 30 GKAC O=COc1ccc(-c2ccc(-c3ccc(-c4ccc(OC=O)cc4)cc3)cc2)cc1 604970489 YXSCUCIGZFYJDL-UHFFFAOYSA-N 394.426 5.758 0 30 GKAC Cc1cc(C)cc(NC(=O)Nc2cccnc2Oc2ccc(C)c3c2CCC3)c1 1034344 HUQMNHVNCXWWBF-UHFFFAOYSA-N 387.483 5.932 0 30 GKAC COc1ccc([C@@H]2C[C@@H]2C(C)=NOc2ncc(C(F)(F)F)cc2Cl)cc1 4013444 NQYRSCSHZVNIEC-CABCVRRESA-N 384.785 5.321 0 30 GKAC O=C(Nc1ccc(OCc2ccccc2)cc1)c1sc2ccccc2c1Cl 6597297 NKDBEINRLZBPAY-UHFFFAOYSA-N 393.895 6.386 0 30 GKAC CC[C@@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CO 96346585 JYKVWAIMNLZUFM-QFIPXVFZSA-N 399.616 5.492 0 30 GKAC C[C@]12C/C(=C\c3ccccc3)[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118912726 CGFWQQQWRBBZTJ-QRINFTRYSA-N 394.599 5.835 0 30 GKAC C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21 139288917 VUKZWUYSEFVTRB-GTDLNKPYSA-N 390.608 5.753 0 30 GKAC Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)C3CCC3)c2)c(C)c1C 1048141 BHROJFXANMTVLF-UHFFFAOYSA-N 377.528 5.783 0 30 GKAC COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2c2ccccc2)cc1 4336661 SDCRHFBOMHVVLU-QHCPKHFHSA-N 388.467 5.068 0 30 GKAC CC(=NOC(=O)Nc1ccccc1)c1sc(-c2ccc(Cl)cc2)nc1C 254350050 IKJBISJMJZOZAB-UHFFFAOYSA-N 385.876 5.745 0 30 GKAC Cc1ccc(C)c(-c2cccc(OP(=O)(O)O)c2-c2cc(C)ccc2C)c1 223646461 JQHCUBQDIKPLNJ-UHFFFAOYSA-N 382.396 5.726 0 30 GKAC Cc1ccc(Oc2ccc(C=NOCc3ccc(Cl)cc3Cl)cn2)cc1 254607461 ORYJJKCPPWZKKY-UHFFFAOYSA-N 387.266 6.040 0 30 GKAC CCCCCC[C@H](C[C@@H](OC)[C@@H](CCCCCCCC(=O)OC)OC)OC 32158167 GLSGCNPLAXVIFB-NJDAHSKKSA-N 388.589 5.296 0 30 GKAC Oc1ccc(O)c(C2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1C1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 256764193 LRUURYXTKSHHJY-JWWQVWRMSA-N 378.556 6.177 0 30 GKAC O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1 1034054 GNLSVFNCDWGZFW-UHFFFAOYSA-N 399.512 5.351 0 30 GKAC CC1=C(C)[C@H](C)C(C(C2=C(C)C(C)=C(C)[C@@H]2C)C2=C(C)C(C)=C(C)[C@H]2C)=C1C 263583818 BGIKSKHWJSRIJQ-IEIRFRATSA-N 376.628 8.510 0 30 GKAC COc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC 984740 QLKKMVXLSTXYGX-HSZRJFAPSA-N 391.492 5.767 0 30 GKAC Fc1ccc(Oc2cc(C(F)(F)F)nc3ccc(Br)cc23)cc1 1039277 KPITUYHUKLYIDD-UHFFFAOYSA-N 386.142 5.948 0 30 GKAC COc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1 1046468 AHEPYZQEOSAWJU-UHFFFAOYSA-N 379.165 5.665 0 30 GKAC O=C(C1CCCCC1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1 4343785 BPDLEWWOLZUHNY-UHFFFAOYSA-N 390.296 5.702 0 30 GKAC CCCCCCCCCCCCCCCC/C=C/CC[C@H]1CC(=O)OC1=O 238790959 ZUAYWYFJJXVSCT-ZJIOXEHGSA-N 378.597 7.284 0 30 GKAC C(=Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCS2)c1ccccc1 2265278939 FPHKEQMADXPAAB-UHFFFAOYSA-N 381.500 6.846 0 30 GKAC CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)N[C@@H]1CCCC[C@H]1OC(=O)c1ccccc1)C2 2265351484 BXLHQOQNCKZJHN-UXRROIJYSA-N 399.531 5.096 0 30 GKAC O=C(N1CCC(C(c2ccccc2)c2ccccc2)CC1)C(Cl)(Cl)Cl 1024981 VGQXKYRWNNYCTH-UHFFFAOYSA-N 396.745 5.427 0 30 GKAC S=C(NCc1ccccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 1045255 MHMFZVTYWKRLSI-UHFFFAOYSA-N 380.127 5.787 0 30 GKAC O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)Nc1cccs1 1034031 AJMPVCRZPZXHMS-UHFFFAOYSA-N 379.363 5.598 0 30 GKAC CCCC[C@@H](CC)COC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 5514734 XSTLHFQIGNKYFG-NWDGAFQWSA-N 381.727 6.174 0 30 GKAC Ic1ccc2c3cccc4cccc(c5cccc1c52)c43 137646981 VWUUFQYCQONEEH-UHFFFAOYSA-N 378.212 6.342 0 30 GKAC COc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccccc2Cl)cc1 1039066 PRHSXSAXHXRGIY-HXUWFJFHSA-N 383.900 5.198 0 30 GKAC O=C(c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 1035037 MGKHTTSSBLEEAK-IBGZPJMESA-N 388.319 5.843 0 30 GKAC CC(C)(C)c1ccc(C(=N)S[C@H](C(=O)C(F)(F)F)c2ccccc2)cc1 4389993 YISJQJTVXRRQGG-INIZCTEOSA-N 379.447 5.915 0 30 GKAC CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 59183670 NGUVUCVJXSBIEN-LVSBIWLASA-N 394.687 8.606 0 30 GKAC CCCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@@H]1c1ccc(F)cc1O 223726855 QQZZWLWHWXXPBP-QVKFZJNVSA-N 375.528 5.609 0 30 GKAC Clc1ccc(Cn2c(C=Cc3ccccc3Cl)nc3ccccc32)cc1 2265278921 YJHQBPBYNMKXEX-UHFFFAOYSA-N 379.290 6.562 0 30 GKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 4343857 SKSUFAVLACTAOV-VGSWGCGISA-N 377.896 6.316 0 30 GKAC O=C(Nc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1 1038407 MCGVAEYDDHSECY-UHFFFAOYSA-N 380.321 6.458 0 30 GKAC O=C(Nc1cccc(F)c1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 1040668 WFQPHVDXDCKNAL-UHFFFAOYSA-N 392.814 5.184 0 30 GKAC COc1ccc(N=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 254875458 WOPULHISVBUUDB-UHFFFAOYSA-N 376.843 5.016 0 30 GKAC COC(=O)c1sc(C(C)(C)C)cc1CSc1cc(C)c(Cl)cc1C 3119692 JWNSKCSRMXLYEG-UHFFFAOYSA-N 382.978 6.395 0 30 GKAC Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccc(F)cc1 1030364 BJWCFFZTMUBHLH-UHFFFAOYSA-N 396.319 5.028 0 30 GKAC in-vitro Clc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl 2568326 PAYFWJAKKLILIT-UHFFFAOYSA-N 395.327 7.927 0 30 GKAC Fc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1F 4390739 JVNLHZKVPIQNGF-UHFFFAOYSA-N 377.506 6.234 0 30 GKAC Cn1nc(-c2ccccc2)c(C=NOCc2ccc(Cl)cc2Cl)c1Cl 254821754 GSFCNXUPUJUXOL-UHFFFAOYSA-N 394.689 5.598 0 30 GKAC COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)C=Cc2ccccc2)cc1 2265279556 QVNOFZMAHKRSLP-UHFFFAOYSA-N 398.414 5.087 0 30 GKAC CSc1cccc(N2C(=O)CC(c3c(Cl)cccc3Cl)CC2=O)c1 3139029 YRWSNFPARKWSLS-UHFFFAOYSA-N 380.296 5.153 0 30 GKAC O=C1N(Cc2ccccc2)c2ccccc2[C@]1(Cc1ccccc1)c1ccccc1 4368095 OMGFJCXTLKPOIZ-NDEPHWFRSA-N 389.498 5.762 0 30 GKAC CC[C@@H](c1ccc(O)cc1)[C@@](CC)(OCCN(CC)CC)c1ccc(O)cc1 141127868 WMPPXHLMLSAGGF-ZEQRLZLVSA-N 385.548 5.255 0 30 GKAC Cc1cc(NC(=O)Nc2ccccc2Oc2ccccc2)c(C(F)(F)F)o1 1033403 KITKWAHYBGQBFU-UHFFFAOYSA-N 376.334 6.043 0 30 GKAC Cc1cc(C)cc(CN2C(=O)SC(=Cc3cccc(C(F)(F)F)c3)C2=O)c1 4105387 ZMXFPOOKTYHYOI-UHFFFAOYSA-N 391.414 5.559 0 30 GKAC Fc1ccc(-c2nc(-c3ccc4ccccc4c3F)[nH]c2-c2ccncc2)cc1 1772768766 PUQAFIILJICJRR-UHFFFAOYSA-N 383.401 6.237 0 30 GKAC O=c1cc(C(F)(F)F)nc(SCC=Cc2ccccc2)n1-c1ccccc1 2265279302 NNSAEDAEUITOOA-UHFFFAOYSA-N 388.414 5.057 0 30 GKAC Cc1c(Cl)cccc1NC(=S)N1CCCC[C@H]1CCN1CCCCC1 4299750 XZZYOPNZFMQEMM-KRWDZBQOSA-N 380.001 5.076 0 30 GKAC O=C1N(Cc2ccccc2)c2ccccc2[C@@]1(Cc1ccccc1)c1ccccc1 4368097 OMGFJCXTLKPOIZ-MUUNZHRXSA-N 389.498 5.762 0 30 GKAC COc1ccc2c(c1)CC[C@@H]1C2=Nc2ccccc2S[C@@H]1c1ccc(C)cc1 4389088 ZKKGGQFTBQRPPF-PXDATVDWSA-N 385.532 6.534 0 30 GKAC C[C@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccccc3)cc1OC2(C)C 5751867 AEYFHRDJFXMZKJ-RBUKOAKNSA-N 390.567 7.263 0 30 GKAC O=C(Nc1ccc(C=Cc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 2265279062 LWWKZMUFMKSMMD-UHFFFAOYSA-N 390.895 6.372 0 30 GKAC CCCc1ccc(S(=O)(=O)Nc2cccnc2Sc2ccc(C)cc2)cc1 1043449 RQSXKKATTOKTBX-UHFFFAOYSA-N 398.553 5.295 0 30 GKAC CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(C(F)(F)F)c1 3119848 RQCNZNSGTYUKEB-UHFFFAOYSA-N 391.462 5.973 0 30 GKAC CCN(CC)C(=S)Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 1041771 AKSTUGMHXQLZDI-UHFFFAOYSA-N 397.327 5.251 0 30 GKAC FC(F)(F)c1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1 3466949 SXUSVRXWVQDNLD-UHFFFAOYSA-N 393.480 7.286 0 30 GKAC CSc1[nH]nc(-c2ccc(Cl)cc2)c1SC(=O)c1c(F)cccc1F 4335889 QBQSMHSWXVSKEI-UHFFFAOYSA-N 396.871 5.663 0 30 GKAC O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 3137873 PWLSFKKNOPJDSR-UHFFFAOYSA-N 381.703 5.672 0 30 GKAC CCSc1ncc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)n1C 254707100 NEKVATIRHWNBGP-UHFFFAOYSA-N 397.253 5.304 0 30 GKAC COc1cc(CCCCCCc2cc(OC)c(C)cc2OC)c(OC)cc1C 4321715 OPPWVNTZQHZJFH-UHFFFAOYSA-N 386.532 5.683 0 30 GKAC c1ccc(N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 4301217 IXKZYCTZTHFKKO-XMMPIXPASA-N 392.458 5.924 0 30 GKAC CCCCCCCCCCCCCCCc1cccc(O[C@H](CC)C(=O)O)c1 100060574 MTBHDSNPUORPTN-XMMPIXPASA-N 390.608 7.562 0 30 GKAC CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 538498 KGVYOGLFOPNPDJ-UHFFFAOYSA-N 383.495 5.351 0 30 GKAC investigational Cc1c(Cl)cc(C(C)C)c(O)c1Sc1c(C)c(Cl)cc(C(C)C)c1O 34064960 AALDANJLYWODLY-UHFFFAOYSA-N 399.383 7.419 0 30 GKAC COc1ccccc1Nc1snc2sc(C(=O)c3ccc(C)cc3)c(N)c12 1024543 SBXQHHTXHXPOEP-UHFFFAOYSA-N 395.509 5.232 0 30 GKAC Cc1ccc(-c2cc3nc(-c4ccc5c(c4)CCC5)cc(C(F)(F)F)n3n2)cc1 4364968 IFHRKJZFQXDJCJ-UHFFFAOYSA-N 393.412 5.879 0 30 GKAC FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1 33605550 DBEALIZXNCCVBG-UHFFFAOYSA-N 398.302 7.309 0 30 GKAC C[C@@H](CCCc1ccccc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 101192453 AEYFHRDJFXMZKJ-MOPGFXCFSA-N 390.567 7.263 0 30 GKAC O=C(C=Cc1ccc(OCCCF)cc1)NCc1ccc(Cl)c(Cl)c1 2265270020 WDNKTQFPWGJRGF-UHFFFAOYSA-N 382.262 5.061 0 30 GKAC Cc1ccc(-c2cc(-c3csc(COc4cccc(Cl)c4)n3)on2)cc1C 1031693 WROXVEBNUGCLSE-UHFFFAOYSA-N 396.899 6.314 0 30 GKAC Cc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 1047007 PDFPUYGCERXJJK-UHFFFAOYSA-N 385.579 6.176 0 30 GKAC CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2cc(Cl)ccc21 1047594 FYIZUIBKINKDEH-UHFFFAOYSA-N 394.327 5.655 0 30 GKAC O=C(Nc1cc(Cl)c(-n2cccc2)cc1Cl)c1ccc(C(F)(F)F)cc1 1023875 QAKONXOFNZJCHW-UHFFFAOYSA-N 399.199 6.055 0 30 GKAC CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 35566920 AXGWYABSYNCIMX-YQAISADPSA-N 386.668 5.621 0 30 GKAC Clc1ccccc1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2Cl)C1 96328858 RGEREJNBGBQLQN-WOOPDLCSSA-N 393.317 7.014 0 30 GKAC C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N/c2ccccc2C(=O)O)cc1 138110547 ADPLEQIQBYGELZ-LYBXETSVSA-N 394.302 5.861 0 30 GKAC Cc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(C)cc5)o4)cc3)o2)cc1 5781758 VUDFDHUOFUAARZ-UHFFFAOYSA-N 392.458 6.947 0 30 GKAC Cc1ccc(-c2csc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc1 19924696 KVJLKYWPXMYOBV-UHFFFAOYSA-N 383.948 5.094 0 30 GKAC Cn1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F 1037690 XWJGMXNVUNXVFA-UHFFFAOYSA-N 385.798 5.073 0 30 GKAC O=C(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1cccs1 3125980 OOYILCGYAVMKJW-UHFFFAOYSA-N 381.309 5.853 0 30 GKAC COc1ccc(Cl)cc1-n1nc(-c2cc3ccccc3o2)c2c1NCCCC2 3696597 UILVPONJOKPLJF-UHFFFAOYSA-N 393.874 5.696 0 30 GKAC FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cnc2c1 95626616 NIPNICKEXXAAPB-UHFFFAOYSA-N 377.580 6.276 0 30 GKAC O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl 1044639 HNTUMVBVBZGVSS-UHFFFAOYSA-N 379.026 5.229 0 30 GKAC C[Si](C)(C)Oc1c(Cl)ccc(Cl)c1-c1cc(Cl)ccc1Cl 205016103 LQZSXZCRLFOTPG-UHFFFAOYSA-N 380.174 7.181 0 30 GKAC CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccccc2Cl)cc1 1043418 QDKRTCYVJRJVIR-UHFFFAOYSA-N 380.875 6.077 0 30 GKAC Cc1noc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)Nc1ccc(Cl)cc1 1047522 ZRHBDBDWYQHIMK-UHFFFAOYSA-N 395.768 5.966 0 30 GKAC Cc1nc(C(F)(F)F)ccc1-c1nnc(SCc2ccccc2Cl)o1 1023702 NREGWLXKKIIWRE-UHFFFAOYSA-N 385.798 5.405 0 30 GKAC CCCC[Sn](CCCC)(CCCC)c1cccn1CC 1535352688 PYQZITZMCLZURX-UHFFFAOYSA-N 384.196 5.564 0 30 GKAC